#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oy0 s THR 19 N 0.00 4.65 -0.33 8.89 2.01 -1.26 -5.04 115.64 124.57 1oy0 s THR 19 Ca 0.00 1.55 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 1oy0 s THR 19 Cb 0.00 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 1oy0 s THR 19 CO 0.00 0.44 0.65 -0.54 -0.69 0.00 0.00 174.62 174.47 1oy0 s LYS 20 N -0.50 3.82 0.22 4.92 1.02 -1.26 -4.82 119.74 123.14 1oy0 s LYS 20 Ca 0.36 0.23 -0.32 0.00 0.02 0.00 0.00 55.97 56.25 1oy0 s LYS 20 Cb -0.21 -3.76 -0.13 0.00 -0.52 0.00 0.00 37.83 33.21 1oy0 s LYS 20 CO 0.23 -0.65 1.54 -0.89 -0.92 0.00 0.00 175.35 174.66 1oy0 n ILE 21 N 5.49 0.54 -4.46 2.17 2.08 0.17 -5.00 119.36 120.34 1oy0 n ILE 21 Ca -0.01 -0.13 -0.23 0.00 0.56 0.00 0.00 62.75 62.94 1oy0 n ILE 21 Cb 0.49 -1.66 -0.10 0.00 -0.75 0.00 0.00 39.64 37.62 1oy0 n ILE 21 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1oy0 s ARG 22 N 0.20 1.63 0.26 0.38 1.81 -1.26 -4.19 118.95 117.78 1oy0 s ARG 22 Ca 0.72 -1.84 -0.03 0.00 -1.72 0.00 0.00 55.73 52.86 1oy0 s ARG 22 Cb -0.61 -1.30 0.40 0.00 -0.45 0.00 0.00 34.95 32.99 1oy0 s ARG 22 CO 0.43 0.06 1.88 1.79 -0.68 0.00 0.00 175.30 178.78 1oy0 h THR 23 N 2.20 1.09 -0.17 0.02 1.35 -1.99 -1.74 112.91 113.66 1oy0 h THR 23 Ca -0.41 -0.40 0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1oy0 h THR 23 Cb 1.24 -0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1oy0 h THR 23 CO 0.68 0.21 0.13 1.12 -0.25 0.00 0.00 175.52 177.41 1oy0 h HIS 24 N 1.16 0.00 -0.72 4.73 2.07 -1.98 -0.77 115.15 119.64 1oy0 h HIS 24 Ca 0.43 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.97 1oy0 h HIS 24 Cb 0.16 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.10 1oy0 h HIS 24 CO -0.01 0.00 0.46 0.45 -3.07 0.00 0.00 177.93 175.77 1oy0 h HIS 25 N 0.00 0.87 -0.31 6.12 3.86 -1.72 0.49 115.15 124.46 1oy0 h HIS 25 Ca 0.08 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1oy0 h HIS 25 Cb 0.33 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1oy0 h HIS 25 CO 0.00 0.52 0.07 -0.07 0.86 0.00 0.00 177.93 179.31 1oy0 h LEU 26 N 0.92 0.40 -0.04 2.43 3.38 -1.21 0.06 115.31 121.27 1oy0 h LEU 26 Ca 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1oy0 h LEU 26 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1oy0 h LEU 26 CO -0.09 0.42 -0.04 -0.61 0.09 0.00 0.00 178.44 178.21 1oy0 h GLN 27 N 0.44 0.09 -0.44 1.13 5.75 -1.06 -2.42 115.11 118.60 1oy0 h GLN 27 Ca 0.10 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1oy0 h GLN 27 Cb 0.18 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 1oy0 h GLN 27 CO -0.00 0.56 0.10 0.00 -2.65 0.00 0.00 178.83 176.83 1oy0 h ARG 28 N -0.38 0.23 -0.59 1.69 3.08 -0.51 -1.34 114.38 116.57 1oy0 h ARG 28 Ca 0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1oy0 h ARG 28 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1oy0 h ARG 28 CO 0.01 0.15 0.39 -1.49 -1.07 0.00 0.00 179.97 177.96 1oy0 h TRP 29 N 0.24 0.50 -0.41 3.04 6.55 -0.95 0.21 115.95 125.13 1oy0 h TRP 29 Ca 0.21 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.98 1oy0 h TRP 29 Cb 0.26 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.38 1oy0 h TRP 29 CO -0.20 0.26 -0.12 -0.22 -1.05 0.00 0.00 178.44 177.10 1oy0 h LYS 30 N 0.49 0.74 0.10 0.49 3.64 -0.74 0.43 116.57 121.72 1oy0 h LYS 30 Ca 0.26 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1oy0 h LYS 30 Cb 0.40 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1oy0 h LYS 30 CO -0.08 0.83 -0.05 0.00 -2.27 0.00 0.00 179.45 177.89 1oy0 h ALA 31 N 1.19 -0.14 0.00 5.00 0.00 -0.28 -2.86 119.26 122.17 1oy0 h ALA 31 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1oy0 h ALA 31 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1oy0 h ALA 31 CO 0.04 -0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 1oy0 n ASP 32 N -4.99 0.00 -0.63 0.00 8.00 0.46 -4.86 116.55 114.53 1oy0 n ASP 32 Ca -0.09 -0.40 -0.08 0.00 0.71 0.00 0.00 54.79 54.94 1oy0 n ASP 32 Cb 0.22 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1oy0 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oy0 n GLY 33 N 0.43 0.82 3.60 0.44 0.00 0.09 -4.99 105.19 105.58 1oy0 n GLY 33 Ca 0.14 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1oy0 n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oy0 s HIS 34 N -2.30 3.10 -0.45 1.61 5.04 0.13 -5.00 115.29 117.42 1oy0 s HIS 34 Ca 0.00 0.78 -0.25 0.00 -1.54 0.00 0.00 55.06 54.04 1oy0 s HIS 34 Cb 0.00 -3.59 0.03 0.00 0.04 0.00 0.00 32.58 29.06 1oy0 s HIS 34 CO 0.00 -0.79 0.91 0.15 -2.34 0.00 0.00 174.74 172.67 1oy0 s LYS 35 N 3.40 3.56 0.24 2.88 1.02 -1.26 -4.49 119.74 125.09 1oy0 s LYS 35 Ca 0.37 0.19 -0.00 0.00 0.02 0.00 0.00 55.97 56.55 1oy0 s LYS 35 Cb -0.12 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.24 1oy0 s LYS 35 CO 0.18 -1.18 0.43 1.67 -0.92 0.00 0.00 175.35 175.53 1oy0 s TRP 36 N 3.67 3.48 -0.11 3.18 1.48 -1.14 -4.97 118.94 124.54 1oy0 s TRP 36 Ca 0.36 0.34 -0.02 0.00 -1.06 0.00 0.00 56.10 55.72 1oy0 s TRP 36 Cb -0.10 -1.86 -0.03 0.00 -1.16 0.00 0.00 33.47 30.32 1oy0 s TRP 36 CO 0.25 0.32 -0.02 0.00 -4.06 0.00 0.00 176.95 173.44 1oy0 s ALA 37 N -1.98 3.12 -0.08 2.67 0.00 -1.26 -1.63 121.76 122.60 1oy0 s ALA 37 Ca 0.39 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1oy0 s ALA 37 Cb -0.11 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1oy0 s ALA 37 CO 0.30 0.42 -0.18 1.41 0.00 0.00 0.00 175.76 177.70 1oy0 s MET 38 N -0.31 2.88 0.05 0.00 0.00 0.18 -4.13 119.30 117.97 1oy0 s MET 38 Ca 0.06 -0.78 0.08 0.00 0.00 0.00 0.00 55.69 55.04 1oy0 s MET 38 Cb -0.12 -2.39 -0.03 0.00 0.00 0.00 0.00 34.83 32.29 1oy0 s MET 38 CO 0.02 0.36 -0.21 -1.17 0.00 0.00 0.00 175.02 174.02 1oy0 s LEU 39 N -0.07 2.19 0.36 4.11 2.96 -0.97 -2.63 118.68 124.62 1oy0 s LEU 39 Ca -0.04 -0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 53.09 1oy0 s LEU 39 Cb -0.14 -0.97 -0.10 0.00 0.50 0.00 0.00 46.19 45.47 1oy0 s LEU 39 CO 0.04 0.15 0.91 0.28 -1.32 0.00 0.00 176.35 176.41 1oy0 s THR 40 N -0.85 4.36 -0.07 3.68 -1.32 -0.93 -1.43 115.64 119.08 1oy0 s THR 40 Ca 0.07 1.56 -0.14 0.00 -1.21 0.00 0.00 61.69 61.98 1oy0 s THR 40 Cb -0.09 -3.80 0.03 0.00 -1.51 0.00 0.00 72.50 67.13 1oy0 s THR 40 CO 0.02 -0.06 0.34 0.00 -2.21 0.00 0.00 174.62 172.71 1oy0 s ALA 41 N -1.86 -0.85 0.00 11.08 0.00 -0.56 -4.05 121.76 125.52 1oy0 s ALA 41 Ca 0.54 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1oy0 s ALA 41 Cb -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1oy0 s ALA 41 CO 0.19 -0.22 0.58 0.66 0.00 0.00 0.00 175.76 176.97 1oy0 n TYR 42 N 2.05 0.00 -3.75 0.00 4.01 -1.26 -3.88 117.16 114.34 1oy0 n TYR 42 Ca -0.17 -0.12 -0.09 0.00 -0.16 0.00 0.00 57.90 57.36 1oy0 n TYR 42 Cb 0.57 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 1oy0 n TYR 42 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1oy0 s ASP 43 N -0.23 -0.29 0.11 7.72 -4.77 -1.26 -4.80 116.67 113.15 1oy0 s ASP 43 Ca 0.00 -0.49 -0.25 0.00 -3.30 0.00 0.00 52.55 48.51 1oy0 s ASP 43 Cb 0.00 0.62 -0.07 0.00 -1.09 0.00 0.00 42.92 42.38 1oy0 s ASP 43 CO 0.00 -1.12 1.66 0.22 0.70 0.00 0.00 175.17 176.63 1oy0 h TYR 44 N 2.13 -0.52 -0.95 2.11 3.20 -1.87 -1.73 116.97 119.35 1oy0 h TYR 44 Ca -0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1oy0 h TYR 44 Cb 1.26 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.71 1oy0 h TYR 44 CO 0.36 -0.28 0.60 0.77 -1.64 0.00 0.00 178.16 177.96 1oy0 h SER 45 N -0.34 1.11 -0.04 -2.11 0.02 -1.96 -0.09 113.55 110.14 1oy0 h SER 45 Ca 0.05 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1oy0 h SER 45 Cb 0.39 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1oy0 h SER 45 CO -0.15 0.83 -0.01 0.74 -1.14 0.00 0.00 176.83 177.10 1oy0 h THR 46 N 1.29 1.28 -0.68 -2.27 2.02 -1.96 -2.57 112.91 110.02 1oy0 h THR 46 Ca 0.34 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1oy0 h THR 46 Cb -0.10 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1oy0 h THR 46 CO -0.07 0.23 0.39 0.00 0.37 0.00 0.00 175.52 176.44 1oy0 h ALA 47 N 0.67 0.91 -0.62 6.16 0.00 -1.10 -1.17 119.26 124.11 1oy0 h ALA 47 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1oy0 h ALA 47 Cb 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1oy0 h ALA 47 CO 0.00 0.08 0.28 -0.09 0.00 0.00 0.00 179.25 179.52 1oy0 h ARG 48 N 0.72 0.48 0.26 0.00 9.65 -0.76 0.22 114.38 124.95 1oy0 h ARG 48 Ca 0.30 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1oy0 h ARG 48 Cb 0.17 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1oy0 h ARG 48 CO -0.17 0.32 -0.12 0.82 2.80 0.00 0.00 179.97 183.61 1oy0 h ILE 49 N 0.50 0.78 -0.18 1.20 2.04 -0.87 -1.48 117.51 119.49 1oy0 h ILE 49 Ca 0.30 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1oy0 h ILE 49 Cb 0.31 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1oy0 h ILE 49 CO -0.26 0.05 0.04 -0.26 0.00 0.00 0.00 178.15 177.73 1oy0 h PHE 50 N -0.47 0.25 0.07 1.37 0.05 -0.87 -0.84 116.94 116.50 1oy0 h PHE 50 Ca -0.04 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.75 1oy0 h PHE 50 Cb 0.35 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.22 1oy0 h PHE 50 CO -0.03 0.23 -0.03 0.22 -0.18 0.00 0.00 178.31 178.52 1oy0 h ASP 51 N 0.26 -0.07 0.00 2.17 3.58 -0.31 -0.75 116.42 121.29 1oy0 h ASP 51 Ca 0.06 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1oy0 h ASP 51 Cb 0.11 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1oy0 h ASP 51 CO -0.00 0.27 0.00 -1.84 -2.88 0.00 0.00 179.24 174.79 1oy0 n GLU 52 N -4.97 0.82 0.00 0.28 0.28 -0.58 -1.15 120.64 115.32 1oy0 n GLU 52 Ca -0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.00 1oy0 n GLU 52 Cb 0.20 -1.19 0.03 0.00 1.43 0.00 0.00 31.44 31.91 1oy0 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1oy0 n ALA 53 N -0.69 2.88 -0.56 -1.84 0.00 -0.35 -4.99 120.51 114.97 1oy0 n ALA 53 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1oy0 n ALA 53 Cb 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1oy0 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oy0 n GLY 54 N 1.06 0.78 3.68 0.00 0.00 -0.30 -5.02 105.19 105.39 1oy0 n GLY 54 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1oy0 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oy0 s ILE 55 N -3.08 2.74 0.15 -0.61 -1.09 -0.34 -4.88 121.20 114.09 1oy0 s ILE 55 Ca 0.00 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1oy0 s ILE 55 Cb 0.00 -3.07 -0.16 0.00 -1.58 0.00 0.00 42.46 37.65 1oy0 s ILE 55 CO 0.00 -0.00 1.35 1.55 -1.23 0.00 0.00 174.94 176.61 1oy0 h PRO 56 N 9.10 0.27 -4.55 2.79 0.13 -1.89 -3.42 132.00 134.43 1oy0 h PRO 56 Ca -0.46 -0.29 -0.52 0.00 -0.87 0.00 0.00 66.00 63.85 1oy0 h PRO 56 Cb 1.22 0.08 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 1oy0 h PRO 56 CO 0.94 1.00 -0.82 0.08 -0.23 0.00 0.00 178.00 178.98 1oy0 s VAL 57 N -3.22 1.17 -0.09 1.56 1.01 -1.26 -0.33 120.40 119.24 1oy0 s VAL 57 Ca -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1oy0 s VAL 57 Cb 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1oy0 s VAL 57 CO 0.84 0.37 -0.17 -0.76 0.00 0.00 0.00 175.10 175.38 1oy0 s LEU 58 N 0.76 2.54 -0.30 3.92 1.43 -0.54 -2.30 118.68 124.18 1oy0 s LEU 58 Ca -0.13 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1oy0 s LEU 58 Cb -0.16 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1oy0 s LEU 58 CO 0.03 0.24 0.02 -0.22 0.23 0.00 0.00 176.35 176.64 1oy0 s LEU 59 N -0.08 3.84 -1.27 1.79 2.96 -0.51 -0.22 118.68 125.18 1oy0 s LEU 59 Ca -0.03 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.62 1oy0 s LEU 59 Cb -0.14 -1.75 0.11 0.00 0.50 0.00 0.00 46.19 44.91 1oy0 s LEU 59 CO 0.04 -0.24 1.64 0.52 -1.32 0.00 0.00 176.35 176.99 1oy0 n VAL 60 N 4.70 4.07 -1.25 1.68 0.31 -0.15 -1.49 118.33 126.20 1oy0 n VAL 60 Ca -0.14 -4.34 -0.29 0.00 -0.01 0.00 0.00 64.34 59.56 1oy0 n VAL 60 Cb 0.45 -2.41 0.14 0.00 -0.91 0.00 0.00 33.84 31.11 1oy0 n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1oy0 s GLY 61 N 3.48 1.60 0.00 2.92 0.00 -1.26 -2.89 107.32 111.17 1oy0 s GLY 61 Ca 0.49 -0.19 0.13 0.00 0.00 0.00 0.00 44.72 45.15 1oy0 s GLY 61 CO 0.04 0.33 1.31 2.09 0.00 0.00 0.00 173.10 176.87 1oy0 n ASP 62 N -3.92 2.00 0.05 1.64 5.75 -1.26 -2.47 116.55 118.33 1oy0 n ASP 62 Ca 0.06 -1.97 0.12 0.00 -0.01 0.00 0.00 54.79 52.99 1oy0 n ASP 62 Cb 0.56 -0.24 0.47 0.00 -1.03 0.00 0.00 41.12 40.88 1oy0 n ASP 62 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1oy0 n SER 63 N 0.58 0.32 0.29 -1.12 3.41 -1.26 -2.14 113.62 113.70 1oy0 n SER 63 Ca 0.13 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 1oy0 n SER 63 Cb 0.32 -0.63 0.85 0.00 -0.26 0.00 0.00 64.21 64.49 1oy0 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oy0 h ALA 64 N 2.63 1.48 -0.88 7.33 0.00 -1.87 -1.38 119.26 126.58 1oy0 h ALA 64 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1oy0 h ALA 64 Cb 0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1oy0 h ALA 64 CO 0.00 0.05 0.46 0.00 0.00 0.00 0.00 179.25 179.76 1oy0 h ALA 65 N 1.96 1.36 0.00 0.00 0.00 -1.70 0.59 119.26 121.47 1oy0 h ALA 65 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oy0 h ALA 65 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1oy0 h ALA 65 CO 0.00 -0.11 -0.02 -0.91 0.00 0.00 0.00 179.25 178.21 1oy0 h ASN 66 N 0.62 0.00 0.01 0.00 4.21 -1.36 0.19 115.58 119.25 1oy0 h ASN 66 Ca 0.49 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 58.00 1oy0 h ASN 66 Cb 0.74 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1oy0 h ASN 66 CO -0.39 0.08 -0.01 -0.37 -1.29 0.00 0.00 177.43 175.45 1oy0 h VAL 67 N -0.13 0.83 0.01 2.81 -1.51 -1.53 -0.16 116.25 116.57 1oy0 h VAL 67 Ca 0.00 -0.02 -0.41 0.00 -1.23 0.00 0.00 66.70 65.04 1oy0 h VAL 67 Cb 0.02 1.01 -0.06 0.00 -2.13 0.00 0.00 31.29 30.14 1oy0 h VAL 67 CO 0.00 0.01 -2.30 0.52 -1.23 0.00 0.00 177.57 174.57 1oy0 n VAL 68 N -4.28 1.54 0.85 7.19 0.31 0.20 -4.71 118.33 119.43 1oy0 n VAL 68 Ca -0.03 -0.37 0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1oy0 n VAL 68 Cb 0.09 -1.82 -0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1oy0 n VAL 68 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1oy0 n TYR 69 N -4.07 0.00 -1.13 3.52 4.02 -0.72 -5.00 117.16 113.78 1oy0 n TYR 69 Ca -0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.36 1oy0 n TYR 69 Cb 0.88 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.18 1oy0 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oy0 n GLY 70 N 1.28 0.73 3.79 2.72 0.00 -0.07 -4.96 105.19 108.68 1oy0 n GLY 70 Ca 0.08 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1oy0 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oy0 s TYR 71 N -2.16 3.52 -2.13 1.61 4.12 0.63 -4.92 117.35 118.02 1oy0 s TYR 71 Ca 0.00 1.71 0.17 0.00 0.02 0.00 0.00 57.07 58.97 1oy0 s TYR 71 Cb 0.00 -2.92 0.70 0.00 -1.52 0.00 0.00 41.96 38.22 1oy0 s TYR 71 CO 0.00 0.03 1.49 -0.40 0.02 0.00 0.00 175.55 176.69 1oy0 n ASP 72 N 0.10 1.09 -3.70 2.29 3.85 -1.26 -3.86 116.55 115.06 1oy0 n ASP 72 Ca 0.04 -1.71 -0.11 0.00 -0.71 0.00 0.00 54.79 52.30 1oy0 n ASP 72 Cb 0.51 -0.09 -0.05 0.00 -1.35 0.00 0.00 41.12 40.15 1oy0 n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1oy0 s THR 73 N -1.82 0.00 -1.10 2.12 2.01 -1.26 -5.04 115.64 110.55 1oy0 s THR 73 Ca 0.26 -1.51 0.17 0.00 0.31 0.00 0.00 61.69 60.92 1oy0 s THR 73 Cb 0.14 -2.42 0.55 0.00 0.01 0.00 0.00 72.50 70.78 1oy0 s THR 73 CO 0.21 0.00 1.47 0.35 -0.69 0.00 0.00 174.62 175.96 1oy0 n THR 74 N -0.44 1.48 0.08 -0.82 -2.24 -1.26 -4.46 114.28 106.62 1oy0 n THR 74 Ca -0.01 -1.19 -0.22 0.00 -2.27 0.00 0.00 64.05 60.36 1oy0 n THR 74 Cb 0.62 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 1oy0 n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1oy0 h VAL 75 N 3.18 1.37 -0.01 2.28 2.07 -1.96 -3.38 116.25 119.80 1oy0 h VAL 75 Ca 0.00 -2.50 -0.17 0.00 0.82 0.00 0.00 66.70 64.85 1oy0 h VAL 75 Cb 1.14 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 1oy0 h VAL 75 CO 0.11 0.74 -0.77 1.55 0.02 0.00 0.00 177.57 179.23 1oy0 h PRO 76 N 0.00 0.10 -6.44 1.57 0.13 -1.96 -3.44 132.00 121.96 1oy0 h PRO 76 Ca -0.18 -0.10 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 1oy0 h PRO 76 Cb 1.84 0.02 0.08 0.00 0.13 0.00 0.00 31.00 33.07 1oy0 h PRO 76 CO 0.21 0.82 0.43 1.51 -0.23 0.00 0.00 178.00 180.74 1oy0 n ILE 77 N -3.69 0.88 -3.87 -3.56 3.06 -1.26 -4.98 119.36 105.94 1oy0 n ILE 77 Ca -0.02 -0.22 -0.21 0.00 -2.50 0.00 0.00 62.75 59.80 1oy0 n ILE 77 Cb 0.73 -1.12 -0.04 0.00 0.54 0.00 0.00 39.64 39.75 1oy0 n ILE 77 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1oy0 s SER 78 N 0.15 5.27 0.25 9.51 1.04 -1.26 -4.54 113.70 124.12 1oy0 s SER 78 Ca 0.71 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.62 1oy0 s SER 78 Cb -0.76 -1.00 0.41 0.00 0.10 0.00 0.00 66.02 64.77 1oy0 s SER 78 CO 0.51 -0.31 1.84 0.40 0.98 0.00 0.00 173.24 176.65 1oy0 h ILE 79 N 1.30 0.98 0.00 -1.02 2.04 -1.96 -0.93 117.51 117.92 1oy0 h ILE 79 Ca -0.45 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1oy0 h ILE 79 Cb 1.25 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1oy0 h ILE 79 CO 0.59 0.17 -0.01 0.44 0.00 0.00 0.00 178.15 179.35 1oy0 h ASP 80 N 0.94 0.00 0.33 1.72 3.32 -2.01 0.37 116.42 121.10 1oy0 h ASP 80 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1oy0 h ASP 80 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1oy0 h ASP 80 CO -0.22 0.01 -0.13 -0.62 -1.72 0.00 0.00 179.24 176.55 1oy0 n GLU 81 N -3.10 0.73 -0.06 3.56 1.02 -0.37 -4.28 120.64 118.14 1oy0 n GLU 81 Ca -0.01 -0.29 -0.12 0.00 -0.02 0.00 0.00 57.16 56.72 1oy0 n GLU 81 Cb 0.22 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1oy0 n GLU 81 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1oy0 n LEU 82 N -0.89 0.92 -0.28 -4.62 4.77 -0.07 -4.59 117.00 112.24 1oy0 n LEU 82 Ca 0.14 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1oy0 n LEU 82 Cb 0.29 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1oy0 n LEU 82 CO 0.24 0.19 0.69 0.40 -1.33 0.00 0.00 177.39 177.57 1oy0 h ILE 83 N -0.44 0.19 -0.05 -0.08 2.04 -1.22 0.40 117.51 118.34 1oy0 h ILE 83 Ca -0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1oy0 h ILE 83 Cb 1.20 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1oy0 h ILE 83 CO -0.17 0.00 -0.02 1.55 0.00 0.00 0.00 178.15 179.50 1oy0 h PRO 84 N -0.02 0.07 -0.22 2.37 0.13 -1.84 -0.70 132.00 131.80 1oy0 h PRO 84 Ca 0.36 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 65.28 1oy0 h PRO 84 Cb 0.58 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.70 1oy0 h PRO 84 CO -0.81 0.11 -0.67 -0.07 -0.23 0.00 0.00 178.00 176.32 1oy0 h LEU 85 N 0.07 0.95 -0.27 1.56 3.38 -0.57 -2.72 115.31 117.71 1oy0 h LEU 85 Ca 0.02 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1oy0 h LEU 85 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1oy0 h LEU 85 CO 0.00 1.37 0.14 0.58 0.09 0.00 0.00 178.44 180.62 1oy0 h VAL 86 N 0.60 1.00 -0.85 1.22 2.07 0.00 0.01 116.25 120.29 1oy0 h VAL 86 Ca -0.02 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1oy0 h VAL 86 Cb 1.29 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1oy0 h VAL 86 CO 0.14 0.05 0.48 0.03 0.02 0.00 0.00 177.57 178.30 1oy0 h ARG 87 N 0.29 0.76 -0.14 1.57 3.08 -1.10 0.34 114.38 119.18 1oy0 h ARG 87 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1oy0 h ARG 87 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1oy0 h ARG 87 CO -0.07 0.50 0.05 0.78 -1.07 0.00 0.00 179.97 180.15 1oy0 h GLY 88 N 0.78 0.23 1.04 0.04 0.00 -1.00 -1.81 103.07 102.34 1oy0 h GLY 88 Ca 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1oy0 h GLY 88 CO -0.27 0.12 0.46 -2.08 0.00 0.00 0.00 176.54 174.77 1oy0 h VAL 89 N 0.05 1.26 -0.59 4.60 2.07 -0.12 -1.43 116.25 122.10 1oy0 h VAL 89 Ca 0.04 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1oy0 h VAL 89 Cb 0.21 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1oy0 h VAL 89 CO -0.00 0.30 0.33 0.58 0.02 0.00 0.00 177.57 178.81 1oy0 h VAL 90 N 1.25 1.17 0.00 2.57 2.07 -0.14 -1.78 116.25 121.39 1oy0 h VAL 90 Ca 0.31 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1oy0 h VAL 90 Cb 0.07 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1oy0 h VAL 90 CO -0.04 0.19 -0.72 0.03 0.02 0.00 0.00 177.57 177.04 1oy0 h ARG 91 N 0.81 0.00 0.00 1.57 3.08 -0.60 -3.29 114.38 115.94 1oy0 h ARG 91 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1oy0 h ARG 91 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1oy0 h ARG 91 CO -0.04 0.72 -0.39 0.78 -1.07 0.00 0.00 179.97 179.97 1oy0 h GLY 92 N 2.21 0.00 -6.70 0.04 0.00 -0.49 -3.40 103.07 94.72 1oy0 h GLY 92 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1oy0 h GLY 92 CO 0.09 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.96 1oy0 n ALA 93 N -2.14 3.43 0.31 3.60 0.00 -0.75 -2.61 120.51 122.36 1oy0 n ALA 93 Ca 0.02 -4.31 0.18 0.00 0.00 0.00 0.00 53.44 49.34 1oy0 n ALA 93 Cb 0.55 -0.94 1.01 0.00 0.00 0.00 0.00 19.45 20.06 1oy0 n ALA 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1oy0 h PRO 94 N 5.05 0.00 0.00 0.00 0.11 -1.79 -2.78 132.00 132.59 1oy0 h PRO 94 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1oy0 h PRO 94 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1oy0 h PRO 94 CO 0.68 0.02 -1.00 0.72 -0.21 0.00 0.00 178.00 178.21 1oy0 n HIS 95 N -3.43 0.00 -2.66 0.65 8.25 -1.26 -4.81 115.22 111.96 1oy0 n HIS 95 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 1oy0 n HIS 95 Cb 0.12 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 1oy0 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oy0 s ALA 96 N -2.68 3.38 -0.47 -1.41 0.00 -1.05 -0.66 121.76 118.87 1oy0 s ALA 96 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 1oy0 s ALA 96 Cb 0.12 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.64 1oy0 s ALA 96 CO 0.68 -0.28 0.63 -1.17 0.00 0.00 0.00 175.76 175.61 1oy0 s LEU 97 N -4.54 4.70 -0.26 0.00 2.96 0.55 -4.69 118.68 117.39 1oy0 s LEU 97 Ca 0.49 -0.60 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 1oy0 s LEU 97 Cb -0.10 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1oy0 s LEU 97 CO 0.42 -0.82 0.66 -0.69 -1.32 0.00 0.00 176.35 174.60 1oy0 s VAL 98 N 2.72 4.95 -0.19 1.68 1.01 -1.26 -1.47 120.40 127.84 1oy0 s VAL 98 Ca 0.19 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 1oy0 s VAL 98 Cb -0.16 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1oy0 s VAL 98 CO 0.16 -0.02 0.01 -0.69 0.00 0.00 0.00 175.10 174.56 1oy0 s VAL 99 N 2.57 4.11 -0.14 2.92 1.01 0.69 -1.27 120.40 130.30 1oy0 s VAL 99 Ca 0.27 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1oy0 s VAL 99 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1oy0 s VAL 99 CO 0.09 0.44 0.12 0.00 0.00 0.00 0.00 175.10 175.75 1oy0 s ALA 100 N 0.83 3.77 0.11 5.51 0.00 0.12 -0.97 121.76 131.12 1oy0 s ALA 100 Ca 0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 1oy0 s ALA 100 Cb -0.14 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 1oy0 s ALA 100 CO 0.02 0.50 0.54 0.34 0.00 0.00 0.00 175.76 177.16 1oy0 s ASP 101 N -0.66 6.88 -0.20 0.00 2.15 -1.14 0.49 116.67 124.20 1oy0 s ASP 101 Ca 0.13 1.11 -0.18 0.00 0.43 0.00 0.00 52.55 54.04 1oy0 s ASP 101 Cb -0.12 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 1oy0 s ASP 101 CO 0.02 0.17 0.49 -0.76 -0.17 0.00 0.00 175.17 174.93 1oy0 s LEU 102 N -1.64 4.14 0.77 -1.34 1.43 -0.58 -4.84 118.68 116.62 1oy0 s LEU 102 Ca 0.34 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.94 1oy0 s LEU 102 Cb -0.16 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1oy0 s LEU 102 CO 0.18 -0.16 1.18 -2.84 0.23 0.00 0.00 176.35 174.95 1oy0 s PRO 103 N 1.59 1.95 0.22 1.29 0.02 -1.26 -4.81 135.00 133.99 1oy0 s PRO 103 Ca 0.23 1.67 -0.32 0.00 0.02 0.00 0.00 61.00 62.60 1oy0 s PRO 103 Cb -0.15 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 1oy0 s PRO 103 CO 0.09 -1.96 1.56 0.34 -0.33 0.00 0.00 177.00 176.70 1oy0 n PHE 104 N -3.06 2.43 0.00 6.54 7.35 -1.26 -2.08 117.46 127.37 1oy0 n PHE 104 Ca 0.13 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1oy0 n PHE 104 Cb 0.51 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1oy0 n PHE 104 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1oy0 n GLY 105 N 2.92 2.06 0.04 7.13 0.00 -1.26 -4.92 105.19 111.16 1oy0 n GLY 105 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1oy0 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oy0 n SER 106 N 0.00 0.23 0.00 1.61 3.41 -0.89 -4.31 113.62 113.67 1oy0 n SER 106 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1oy0 n SER 106 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1oy0 n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oy0 n TYR 107 N -1.26 0.00 0.23 7.33 0.18 -1.26 -3.53 117.16 118.85 1oy0 n TYR 107 Ca 0.11 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.00 1oy0 n TYR 107 Cb 0.30 0.00 0.51 0.00 -0.38 0.00 0.00 39.34 39.77 1oy0 n TYR 107 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1oy0 h GLU 108 N 0.00 0.00 0.00 -3.48 3.07 -1.94 -3.01 114.58 109.22 1oy0 h GLU 108 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1oy0 h GLU 108 Cb 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1oy0 h GLU 108 CO 0.00 0.21 -0.16 0.00 -1.40 0.00 0.00 179.01 177.65 1oy0 h ALA 109 N 1.79 1.40 0.00 3.43 0.00 -1.89 -3.48 119.26 120.51 1oy0 h ALA 109 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1oy0 h ALA 109 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1oy0 h ALA 109 CO 0.03 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1oy0 n GLY 110 N -0.74 -0.13 0.10 0.00 0.00 -1.14 -4.94 105.19 98.33 1oy0 n GLY 110 Ca -0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1oy0 n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oy0 h PRO 111 N 4.43 0.04 -0.32 1.61 0.11 -1.87 -1.89 132.00 134.12 1oy0 h PRO 111 Ca 0.00 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 1oy0 h PRO 111 Cb 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.03 1oy0 h PRO 111 CO 0.00 0.03 -0.17 1.15 -0.21 0.00 0.00 178.00 178.80 1oy0 h THR 112 N 0.05 0.50 0.57 -1.15 2.02 -1.96 0.61 112.91 113.54 1oy0 h THR 112 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1oy0 h THR 112 Cb 0.10 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1oy0 h THR 112 CO -0.14 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.47 1oy0 h ALA 113 N 1.10 -0.77 -0.83 6.16 0.00 -1.85 -1.81 119.26 121.25 1oy0 h ALA 113 Ca 0.16 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1oy0 h ALA 113 Cb 0.38 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1oy0 h ALA 113 CO -0.40 -0.92 0.42 0.00 0.00 0.00 0.00 179.25 178.35 1oy0 h ALA 114 N -0.36 1.23 -0.43 0.00 0.00 -0.78 -0.97 119.26 117.95 1oy0 h ALA 114 Ca -0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1oy0 h ALA 114 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1oy0 h ALA 114 CO 0.13 -0.09 0.18 1.25 0.00 0.00 0.00 179.25 180.72 1oy0 h LEU 115 N 0.61 0.59 -0.32 0.00 5.85 0.39 -0.28 115.31 122.16 1oy0 h LEU 115 Ca 0.45 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1oy0 h LEU 115 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1oy0 h LEU 115 CO -0.36 0.59 0.19 0.00 -0.34 0.00 0.00 178.44 178.52 1oy0 h ALA 116 N 1.03 0.41 0.06 1.25 0.00 -0.43 0.28 119.26 121.85 1oy0 h ALA 116 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oy0 h ALA 116 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oy0 h ALA 116 CO -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 1oy0 h ALA 117 N 1.07 -0.10 -0.75 0.00 0.00 -1.00 -2.12 119.26 116.35 1oy0 h ALA 117 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oy0 h ALA 117 Cb 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1oy0 h ALA 117 CO -0.02 -0.56 0.49 0.00 0.00 0.00 0.00 179.25 179.16 1oy0 h ALA 118 N 0.82 0.96 -0.49 0.00 0.00 -0.92 -1.80 119.26 117.83 1oy0 h ALA 118 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1oy0 h ALA 118 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1oy0 h ALA 118 CO -0.01 0.39 0.33 1.15 0.00 0.00 0.00 179.25 181.11 1oy0 h THR 119 N 1.03 1.02 -0.31 0.00 2.02 -0.66 -0.88 112.91 115.13 1oy0 h THR 119 Ca 0.28 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 1oy0 h THR 119 Cb -0.10 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1oy0 h THR 119 CO -0.06 0.09 -0.06 0.03 0.37 0.00 0.00 175.52 175.89 1oy0 h ARG 120 N 0.51 0.59 0.00 6.66 3.08 -0.66 -0.39 114.38 124.16 1oy0 h ARG 120 Ca 0.20 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1oy0 h ARG 120 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1oy0 h ARG 120 CO -0.05 0.77 -0.10 0.74 -1.07 0.00 0.00 179.97 180.26 1oy0 h PHE 121 N 0.36 0.00 0.00 3.04 -1.00 -0.78 0.18 116.94 118.74 1oy0 h PHE 121 Ca 0.08 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1oy0 h PHE 121 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 1oy0 h PHE 121 CO 0.05 0.10 -0.46 -0.07 -1.61 0.00 0.00 178.31 176.32 1oy0 h LEU 122 N 0.00 0.00 -0.93 1.54 3.38 -1.11 -1.18 115.31 117.01 1oy0 h LEU 122 Ca -0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1oy0 h LEU 122 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1oy0 h LEU 122 CO 0.01 0.84 0.16 0.11 0.09 0.00 0.00 178.44 179.65 1oy0 h LYS 123 N -1.00 0.95 0.00 1.13 1.57 -1.11 -1.36 116.57 116.75 1oy0 h LYS 123 Ca -0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1oy0 h LYS 123 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1oy0 h LYS 123 CO -0.04 0.83 -0.92 -3.47 -0.57 0.00 0.00 179.45 175.29 1oy0 n ASP 124 N -4.26 1.89 0.26 0.86 -0.08 0.55 -4.51 116.55 111.26 1oy0 n ASP 124 Ca 0.05 0.44 0.11 0.00 -1.51 0.00 0.00 54.79 53.88 1oy0 n ASP 124 Cb 0.23 -0.80 0.71 0.00 2.34 0.00 0.00 41.12 43.60 1oy0 n ASP 124 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1oy0 h GLY 125 N -1.00 0.00 0.00 0.27 0.00 -0.95 -3.46 103.07 97.93 1oy0 h GLY 125 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1oy0 h GLY 125 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1oy0 n GLY 126 N -1.06 0.56 3.68 4.60 0.00 -0.51 -3.11 105.19 109.35 1oy0 n GLY 126 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1oy0 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy0 s ALA 127 N -2.16 1.50 -0.13 4.61 0.00 -0.56 -4.96 121.76 120.05 1oy0 s ALA 127 Ca 0.00 0.46 0.19 0.00 0.00 0.00 0.00 51.96 52.62 1oy0 s ALA 127 Cb 0.00 -3.40 -0.28 0.00 0.00 0.00 0.00 23.12 19.44 1oy0 s ALA 127 CO 0.00 -2.63 0.23 0.72 0.00 0.00 0.00 175.76 174.08 1oy0 n HIS 128 N -4.14 0.00 -3.84 0.00 8.25 -0.39 -4.57 115.22 110.52 1oy0 n HIS 128 Ca 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.48 1oy0 n HIS 128 Cb 0.52 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.81 1oy0 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oy0 s ALA 129 N -2.88 -0.74 0.16 -1.41 0.00 -1.10 -4.36 121.76 111.42 1oy0 s ALA 129 Ca -0.09 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1oy0 s ALA 129 Cb 0.09 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 1oy0 s ALA 129 CO 0.85 -0.85 -0.15 0.14 0.00 0.00 0.00 175.76 175.74 1oy0 s VAL 130 N -3.93 1.59 -0.20 0.00 -7.23 -0.79 0.15 120.40 109.99 1oy0 s VAL 130 Ca 0.14 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1oy0 s VAL 130 Cb -0.02 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 1oy0 s VAL 130 CO 0.02 -0.45 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.54 1oy0 s LYS 131 N -3.04 3.38 -0.27 4.82 2.20 0.18 -0.63 119.74 126.38 1oy0 s LYS 131 Ca 0.15 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 1oy0 s LYS 131 Cb -0.04 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1oy0 s LYS 131 CO 0.05 -0.09 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.78 1oy0 s LEU 132 N 1.17 3.44 -0.03 5.43 2.96 -0.81 -1.53 118.68 129.30 1oy0 s LEU 132 Ca 0.02 -0.77 -0.25 0.00 -0.22 0.00 0.00 54.13 52.92 1oy0 s LEU 132 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1oy0 s LEU 132 CO -0.02 -0.15 0.76 -0.70 -1.32 0.00 0.00 176.35 174.93 1oy0 s GLU 133 N 1.41 4.47 0.00 1.98 2.12 -1.26 -3.02 118.70 124.39 1oy0 s GLU 133 Ca 0.02 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1oy0 s GLU 133 Cb -0.17 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1oy0 s GLU 133 CO -0.01 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1oy0 n GLY 134 N 2.89 2.82 0.00 -1.50 0.00 -0.21 -4.96 105.19 104.23 1oy0 n GLY 134 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1oy0 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oy0 n GLY 135 N -1.34 2.75 0.29 -0.02 0.00 -1.26 -4.42 105.19 101.19 1oy0 n GLY 135 Ca 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1oy0 n GLY 135 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oy0 h GLU 136 N 0.00 0.19 0.00 1.61 5.08 -1.86 0.48 114.58 120.08 1oy0 h GLU 136 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1oy0 h GLU 136 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1oy0 h GLU 136 CO 0.00 0.12 0.47 0.07 -1.00 0.00 0.00 179.01 178.67 1oy0 h ARG 137 N 0.19 0.00 -0.18 2.33 0.11 -1.99 0.38 114.38 115.21 1oy0 h ARG 137 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 1oy0 h ARG 137 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1oy0 h ARG 137 CO -0.63 0.00 0.00 0.28 0.10 0.00 0.00 179.97 179.72 1oy0 n VAL 138 N -2.59 0.40 -0.23 0.08 0.31 0.16 -4.63 118.33 111.82 1oy0 n VAL 138 Ca -0.01 -0.70 -0.02 0.00 -0.01 0.00 0.00 64.34 63.60 1oy0 n VAL 138 Cb 0.50 0.98 0.09 0.00 -0.91 0.00 0.00 33.84 34.51 1oy0 n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oy0 h ALA 139 N 2.68 0.89 -0.64 3.52 0.00 -0.97 -1.48 119.26 123.26 1oy0 h ALA 139 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1oy0 h ALA 139 Cb 0.67 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1oy0 h ALA 139 CO 0.00 0.07 0.31 1.49 0.00 0.00 0.00 179.25 181.12 1oy0 h GLU 140 N 0.71 0.53 -0.21 0.00 4.81 -1.82 0.11 114.58 118.71 1oy0 h GLU 140 Ca 0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1oy0 h GLU 140 Cb 0.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1oy0 h GLU 140 CO -0.17 0.35 0.05 1.96 -0.73 0.00 0.00 179.01 180.47 1oy0 h GLN 141 N 0.55 0.33 -0.96 1.92 7.50 -1.69 -1.82 115.11 120.93 1oy0 h GLN 141 Ca 0.31 -0.08 0.03 0.00 0.50 0.00 0.00 58.65 59.41 1oy0 h GLN 141 Cb 0.30 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.73 1oy0 h GLN 141 CO -0.25 0.45 0.63 0.82 -1.50 0.00 0.00 178.83 178.99 1oy0 h ILE 142 N 0.15 1.19 -0.13 2.54 2.04 -0.64 -2.11 117.51 120.55 1oy0 h ILE 142 Ca 0.07 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1oy0 h ILE 142 Cb 0.27 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1oy0 h ILE 142 CO 0.00 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.45 1oy0 h ALA 143 N 1.38 0.17 -0.00 1.87 0.00 -0.57 -0.88 119.26 121.24 1oy0 h ALA 143 Ca 0.37 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1oy0 h ALA 143 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1oy0 h ALA 143 CO -0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 179.25 178.73 1oy0 h LEU 145 N -0.21 -0.28 -0.74 0.00 3.38 -1.35 -0.68 115.31 115.44 1oy0 h LEU 145 Ca 0.05 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1oy0 h LEU 145 Cb 0.27 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1oy0 h LEU 145 CO -0.13 -0.18 0.36 0.74 0.09 0.00 0.00 178.44 179.32 1oy0 h THR 146 N -0.28 0.81 0.00 0.22 2.02 -0.98 0.17 112.91 114.87 1oy0 h THR 146 Ca -0.01 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1oy0 h THR 146 Cb 0.24 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1oy0 h THR 146 CO 0.01 0.11 -0.21 0.00 0.37 0.00 0.00 175.52 175.80 1oy0 h ALA 147 N 1.46 1.10 0.00 6.16 0.00 -0.48 -1.92 119.26 125.58 1oy0 h ALA 147 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1oy0 h ALA 147 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oy0 h ALA 147 CO -0.30 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1oy0 n ALA 148 N -2.25 2.23 -0.04 0.00 0.00 0.48 -4.87 120.51 116.06 1oy0 n ALA 148 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1oy0 n ALA 148 Cb 0.38 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1oy0 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oy0 n GLY 149 N 1.27 0.98 3.48 0.00 0.00 -0.72 -5.07 105.19 105.12 1oy0 n GLY 149 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1oy0 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oy0 s ILE 150 N -2.00 4.90 0.13 -0.61 1.01 -0.40 -5.00 121.20 119.23 1oy0 s ILE 150 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.01 1oy0 s ILE 150 Cb 0.00 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 1oy0 s ILE 150 CO 0.00 0.03 1.73 -2.84 0.00 0.00 0.00 174.94 173.86 1oy0 s PRO 151 N 1.66 4.16 -0.12 2.79 0.02 -1.26 -3.45 135.00 138.80 1oy0 s PRO 151 Ca 0.05 2.50 0.03 0.00 0.02 0.00 0.00 61.00 63.60 1oy0 s PRO 151 Cb -0.17 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1oy0 s PRO 151 CO 0.08 -0.77 -0.22 0.08 -0.33 0.00 0.00 177.00 175.85 1oy0 s VAL 152 N 2.20 2.19 -0.29 3.83 1.01 -1.26 -1.88 120.40 126.20 1oy0 s VAL 152 Ca 0.77 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1oy0 s VAL 152 Cb -0.45 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1oy0 s VAL 152 CO 0.34 0.55 0.18 -0.32 0.00 0.00 0.00 175.10 175.85 1oy0 s MET 153 N 0.56 3.80 0.80 2.72 1.75 0.19 -1.48 119.30 127.64 1oy0 s MET 153 Ca -0.13 -0.42 -0.12 0.00 -1.25 0.00 0.00 55.69 53.78 1oy0 s MET 153 Cb -0.17 -3.64 0.07 0.00 2.84 0.00 0.00 34.83 33.94 1oy0 s MET 153 CO 0.04 -0.24 1.16 0.00 -0.65 0.00 0.00 175.02 175.33 1oy0 s ALA 154 N 1.73 2.63 -0.25 4.11 0.00 0.11 -1.93 121.76 128.16 1oy0 s ALA 154 Ca 0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1oy0 s ALA 154 Cb -0.16 -2.98 0.14 0.00 0.00 0.00 0.00 23.12 20.11 1oy0 s ALA 154 CO 0.10 -1.61 0.38 -1.58 0.00 0.00 0.00 175.76 173.05 1oy0 s HIS 155 N -3.51 -0.85 0.27 0.00 5.04 -1.17 -0.21 115.29 114.86 1oy0 s HIS 155 Ca 0.61 0.80 0.12 0.00 -1.54 0.00 0.00 55.06 55.05 1oy0 s HIS 155 Cb -0.11 0.01 -0.05 0.00 0.04 0.00 0.00 32.58 32.47 1oy0 s HIS 155 CO 0.50 -0.75 -0.20 0.96 -2.34 0.00 0.00 174.74 172.91 1oy0 s ILE 156 N 2.55 2.43 0.08 0.89 -4.36 0.39 -1.04 121.20 122.14 1oy0 s ILE 156 Ca 0.13 -2.38 0.02 0.00 -0.26 0.00 0.00 60.65 58.16 1oy0 s ILE 156 Cb -0.15 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1oy0 s ILE 156 CO -0.17 -0.39 0.06 0.61 0.24 0.00 0.00 174.94 175.28 1oy0 n GLY 157 N -0.55 3.80 2.98 6.27 0.00 -1.26 -2.33 105.19 114.10 1oy0 n GLY 157 Ca -0.06 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1oy0 n GLY 157 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oy0 s PHE 158 N -2.23 2.05 -0.37 1.61 5.36 -1.25 -4.58 117.98 118.57 1oy0 s PHE 158 Ca 0.08 -1.19 0.02 0.00 -0.96 0.00 0.00 56.93 54.88 1oy0 s PHE 158 Cb 0.00 -1.52 0.11 0.00 -0.34 0.00 0.00 43.02 41.28 1oy0 s PHE 158 CO 0.06 -0.65 0.13 0.95 -1.46 0.00 0.00 175.22 174.25 1oy0 s THR 159 N 1.52 1.59 0.30 0.12 -4.23 -1.26 -4.92 115.64 108.75 1oy0 s THR 159 Ca 0.04 -2.14 -0.26 0.00 -1.18 0.00 0.00 61.69 58.15 1oy0 s THR 159 Cb -0.14 -2.16 -0.15 0.00 1.34 0.00 0.00 72.50 71.40 1oy0 s THR 159 CO -0.10 -0.71 0.68 -2.65 -0.54 0.00 0.00 174.62 171.30 1oy0 n PRO 160 N 4.20 0.63 0.00 3.99 -0.02 -1.26 -4.71 135.00 137.83 1oy0 n PRO 160 Ca 0.03 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1oy0 n PRO 160 Cb 0.39 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1oy0 n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oy0 n GLY 175 N 1.68 1.85 0.34 -1.23 0.00 -1.26 -5.03 105.19 101.54 1oy0 n GLY 175 Ca 0.13 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.45 1oy0 n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oy0 h ASP 176 N 0.00 0.00 -0.38 1.61 3.32 -2.01 -1.90 116.42 117.06 1oy0 h ASP 176 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1oy0 h ASP 176 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1oy0 h ASP 176 CO 0.00 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.38 1oy0 h ALA 177 N 1.78 0.19 -0.25 3.45 0.00 -1.96 0.88 119.26 123.35 1oy0 h ALA 177 Ca 0.12 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1oy0 h ALA 177 Cb 0.58 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1oy0 h ALA 177 CO -0.00 -0.50 0.17 0.00 0.00 0.00 0.00 179.25 178.92 1oy0 h ALA 178 N 1.28 2.08 0.06 0.00 0.00 -1.71 -0.23 119.26 120.74 1oy0 h ALA 178 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1oy0 h ALA 178 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oy0 h ALA 178 CO -0.43 -0.13 -0.03 0.93 0.00 0.00 0.00 179.25 179.60 1oy0 h GLU 179 N 0.12 -0.07 -0.54 0.00 5.08 -0.94 -2.42 114.58 115.81 1oy0 h GLU 179 Ca 0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1oy0 h GLU 179 Cb 0.29 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1oy0 h GLU 179 CO -0.01 0.26 0.32 0.37 -1.00 0.00 0.00 179.01 178.94 1oy0 h GLN 180 N -0.41 0.61 -0.58 2.33 5.75 -0.31 0.14 115.11 122.63 1oy0 h GLN 180 Ca -0.01 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 1oy0 h GLN 180 Cb 0.37 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.71 1oy0 h GLN 180 CO 0.01 0.40 0.20 1.15 -2.65 0.00 0.00 178.83 177.94 1oy0 h THR 181 N 0.63 0.76 -0.13 2.39 2.02 -1.06 0.46 112.91 117.98 1oy0 h THR 181 Ca 0.22 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1oy0 h THR 181 Cb 0.04 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1oy0 h THR 181 CO -0.11 0.07 0.06 0.40 0.37 0.00 0.00 175.52 176.31 1oy0 h ILE 182 N 0.37 1.12 -0.76 3.11 2.04 -0.80 0.16 117.51 122.74 1oy0 h ILE 182 Ca 0.29 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1oy0 h ILE 182 Cb 0.37 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1oy0 h ILE 182 CO -0.31 0.11 0.45 0.00 0.00 0.00 0.00 178.15 178.40 1oy0 h ALA 183 N 0.93 1.04 -0.12 1.87 0.00 0.33 0.24 119.26 123.56 1oy0 h ALA 183 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1oy0 h ALA 183 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oy0 h ALA 183 CO -0.01 0.15 0.03 -0.44 0.00 0.00 0.00 179.25 178.99 1oy0 h ASP 184 N 0.82 0.18 -0.72 0.00 3.32 0.29 0.17 116.42 120.47 1oy0 h ASP 184 Ca 0.34 -0.22 0.10 0.00 0.02 0.00 0.00 57.03 57.27 1oy0 h ASP 184 Cb 0.20 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1oy0 h ASP 184 CO -0.18 0.35 0.36 0.00 -1.72 0.00 0.00 179.24 178.04 1oy0 h ALA 185 N 0.84 1.00 0.37 3.45 0.00 -0.05 0.19 119.26 125.06 1oy0 h ALA 185 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1oy0 h ALA 185 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1oy0 h ALA 185 CO -0.00 -0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.84 1oy0 h ILE 186 N 0.60 0.56 -0.48 0.00 2.04 -0.71 -2.67 117.51 116.84 1oy0 h ILE 186 Ca 0.36 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.71 1oy0 h ILE 186 Cb 0.40 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1oy0 h ILE 186 CO -0.28 0.10 0.12 0.00 0.00 0.00 0.00 178.15 178.08 1oy0 h ALA 187 N -0.43 0.55 -0.57 1.87 0.00 -0.38 0.01 119.26 120.30 1oy0 h ALA 187 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1oy0 h ALA 187 Cb 0.54 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1oy0 h ALA 187 CO 0.08 -0.29 0.32 0.28 0.00 0.00 0.00 179.25 179.64 1oy0 h VAL 188 N 0.26 1.00 -0.42 0.00 2.07 -0.70 0.44 116.25 118.90 1oy0 h VAL 188 Ca 0.24 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1oy0 h VAL 188 Cb 0.30 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1oy0 h VAL 188 CO -0.29 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.18 1oy0 h ALA 189 N 1.29 0.60 -1.00 1.67 0.00 -1.07 -2.83 119.26 117.92 1oy0 h ALA 189 Ca 0.25 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1oy0 h ALA 189 Cb 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1oy0 h ALA 189 CO -0.14 0.59 0.65 0.93 0.00 0.00 0.00 179.25 181.28 1oy0 h GLU 190 N 0.73 1.18 0.00 0.00 4.39 -0.45 -1.07 114.58 119.35 1oy0 h GLU 190 Ca 0.09 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1oy0 h GLU 190 Cb 0.80 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1oy0 h GLU 190 CO 0.07 0.78 -0.03 0.00 -1.16 0.00 0.00 179.01 178.66 1oy0 h ALA 191 N 1.44 1.26 0.00 3.43 0.00 -0.68 -3.46 119.26 121.25 1oy0 h ALA 191 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1oy0 h ALA 191 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1oy0 h ALA 191 CO -0.16 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1oy0 n GLY 192 N -0.99 0.97 3.59 0.00 0.00 -0.40 -3.53 105.19 104.84 1oy0 n GLY 192 Ca -0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.50 1oy0 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy0 n ALA 193 N 0.00 -0.63 1.09 4.61 0.00 -1.15 -4.76 120.51 119.68 1oy0 n ALA 193 Ca 0.00 0.48 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1oy0 n ALA 193 Cb 0.00 -2.08 0.62 0.00 0.00 0.00 0.00 19.45 17.99 1oy0 n ALA 193 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1oy0 n PHE 194 N 2.05 0.00 -3.65 0.00 1.16 -0.55 -4.79 117.46 111.68 1oy0 n PHE 194 Ca 0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.71 1oy0 n PHE 194 Cb 0.23 -0.44 -0.01 0.00 -1.61 0.00 0.00 39.48 37.65 1oy0 n PHE 194 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1oy0 s ALA 195 N -2.90 -1.90 -0.06 1.98 0.00 -1.26 -4.22 121.76 113.40 1oy0 s ALA 195 Ca 0.17 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1oy0 s ALA 195 Cb 0.19 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1oy0 s ALA 195 CO 0.53 -0.93 0.15 0.54 0.00 0.00 0.00 175.76 176.04 1oy0 s VAL 196 N -2.91 -0.00 -0.16 0.00 0.11 -0.76 -0.71 120.40 115.96 1oy0 s VAL 196 Ca 0.11 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1oy0 s VAL 196 Cb 0.01 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1oy0 s VAL 196 CO -0.02 0.00 0.29 -0.69 -3.33 0.00 0.00 175.10 171.35 1oy0 s VAL 197 N 0.11 5.31 -0.33 2.04 1.01 0.70 0.32 120.40 129.55 1oy0 s VAL 197 Ca -0.00 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1oy0 s VAL 197 Cb -0.01 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1oy0 s VAL 197 CO 0.00 0.39 0.08 -0.04 0.00 0.00 0.00 175.10 175.52 1oy0 s MET 198 N 0.48 2.42 -0.17 2.72 -1.94 0.32 -0.46 119.30 122.67 1oy0 s MET 198 Ca 0.16 -1.34 -0.03 0.00 -1.71 0.00 0.00 55.69 52.77 1oy0 s MET 198 Cb -0.13 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.34 1oy0 s MET 198 CO 0.04 -0.73 -0.05 -2.00 -0.01 0.00 0.00 175.02 172.27 1oy0 s GLU 199 N 1.28 3.53 -1.25 2.03 2.12 -0.99 -2.50 118.70 122.92 1oy0 s GLU 199 Ca -0.01 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 1oy0 s GLU 199 Cb -0.20 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1oy0 s GLU 199 CO -0.00 0.08 1.04 -1.33 -0.54 0.00 0.00 175.26 174.51 1oy0 n MET 200 N 3.98 -6.96 -4.57 4.30 2.81 -0.99 -3.94 117.12 111.75 1oy0 n MET 200 Ca -0.18 0.84 -0.33 0.00 -1.81 0.00 0.00 57.70 56.22 1oy0 n MET 200 Cb 0.52 -5.85 -0.13 0.00 -0.71 0.00 0.00 33.22 27.04 1oy0 n MET 200 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1oy0 s VAL 201 N -3.36 3.44 -0.30 2.03 1.01 -1.00 -3.98 120.40 118.25 1oy0 s VAL 201 Ca 0.17 -0.52 -0.40 0.00 0.00 0.00 0.00 61.98 61.23 1oy0 s VAL 201 Cb -0.07 -2.48 -0.15 0.00 0.00 0.00 0.00 36.38 33.67 1oy0 s VAL 201 CO 0.73 0.51 1.81 -2.65 0.00 0.00 0.00 175.10 175.50 1oy0 n PRO 202 N 3.58 1.07 -0.33 2.72 -0.02 -1.26 -4.19 135.00 136.57 1oy0 n PRO 202 Ca -0.18 0.38 0.28 0.00 -2.02 0.00 0.00 63.50 61.96 1oy0 n PRO 202 Cb 0.53 -2.10 0.52 0.00 -0.02 0.00 0.00 33.50 32.42 1oy0 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oy0 h ALA 203 N 7.79 1.94 0.63 3.55 0.00 -1.89 0.17 119.26 131.45 1oy0 h ALA 203 Ca -0.43 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1oy0 h ALA 203 Cb 1.32 0.39 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1oy0 h ALA 203 CO 0.98 -0.87 -0.31 0.93 0.00 0.00 0.00 179.25 179.97 1oy0 h GLU 204 N 0.00 -0.83 -0.66 0.00 4.39 -1.87 0.15 114.58 115.77 1oy0 h GLU 204 Ca 0.79 0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.59 1oy0 h GLU 204 Cb 2.01 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 30.81 1oy0 h GLU 204 CO -0.81 -0.55 0.40 1.25 -1.16 0.00 0.00 179.01 178.14 1oy0 h LEU 205 N -0.86 0.64 0.09 1.33 5.85 -1.22 -2.40 115.31 118.73 1oy0 h LEU 205 Ca -0.09 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1oy0 h LEU 205 Cb 0.67 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1oy0 h LEU 205 CO 0.14 0.44 -0.20 0.00 -0.34 0.00 0.00 178.44 178.47 1oy0 h ALA 206 N 1.30 -0.32 -0.66 1.25 0.00 -0.58 -1.27 119.26 118.97 1oy0 h ALA 206 Ca 0.27 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1oy0 h ALA 206 Cb 0.06 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 1oy0 h ALA 206 CO -0.12 -0.72 -0.26 1.15 0.00 0.00 0.00 179.25 179.29 1oy0 h THR 207 N -0.37 0.22 0.96 0.00 2.02 -0.22 0.20 112.91 115.72 1oy0 h THR 207 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1oy0 h THR 207 Cb 0.40 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1oy0 h THR 207 CO -0.13 0.00 -0.46 1.56 0.37 0.00 0.00 175.52 176.86 1oy0 h GLN 208 N -0.08 -1.24 -0.86 6.66 4.20 -1.15 -1.77 115.11 120.87 1oy0 h GLN 208 Ca 0.29 0.08 0.23 0.00 0.06 0.00 0.00 58.65 59.31 1oy0 h GLN 208 Cb 0.54 0.28 -0.14 0.00 0.30 0.00 0.00 27.48 28.46 1oy0 h GLN 208 CO -0.72 -0.82 0.19 0.82 -0.67 0.00 0.00 178.83 177.63 1oy0 h ILE 209 N -1.29 0.31 -0.38 2.54 2.04 -0.65 0.77 117.51 120.85 1oy0 h ILE 209 Ca -0.13 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1oy0 h ILE 209 Cb 0.98 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1oy0 h ILE 209 CO 0.22 0.03 0.13 0.74 0.00 0.00 0.00 178.15 179.27 1oy0 h THR 210 N 0.19 0.89 -0.00 -0.27 2.02 -0.38 0.91 112.91 116.26 1oy0 h THR 210 Ca 0.53 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 67.50 1oy0 h THR 210 Cb 1.06 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1oy0 h THR 210 CO -0.67 0.05 -0.55 1.23 0.37 0.00 0.00 175.52 175.96 1oy0 h GLY 211 N 0.29 0.01 2.00 2.16 0.00 0.91 -3.18 103.07 105.26 1oy0 h GLY 211 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 1oy0 h GLY 211 CO -0.18 0.01 -0.28 1.70 0.00 0.00 0.00 176.54 177.79 1oy0 h LYS 212 N 0.01 0.00 -6.36 4.80 3.64 0.12 -3.46 116.57 115.32 1oy0 h LYS 212 Ca -0.01 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1oy0 h LYS 212 Cb 0.97 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1oy0 h LYS 212 CO 0.07 0.28 -0.18 -0.51 -2.27 0.00 0.00 179.45 176.85 1oy0 s LEU 213 N -6.39 4.19 0.09 5.20 1.43 0.22 -4.99 118.68 118.43 1oy0 s LEU 213 Ca 0.05 0.80 0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1oy0 s LEU 213 Cb 0.07 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.56 1oy0 s LEU 213 CO 0.70 -0.05 1.08 0.74 0.23 0.00 0.00 176.35 179.05 1oy0 h THR 214 N 1.95 1.22 -3.49 5.49 2.02 -1.89 -3.46 112.91 114.76 1oy0 h THR 214 Ca -0.47 -2.90 -0.51 0.00 0.77 0.00 0.00 66.41 63.30 1oy0 h THR 214 Cb 1.17 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 1oy0 h THR 214 CO 0.70 0.70 -0.00 0.27 0.37 0.00 0.00 175.52 177.55 1oy0 s ILE 215 N -2.73 4.88 0.59 3.11 -4.36 -1.26 -5.03 121.20 116.40 1oy0 s ILE 215 Ca -0.01 0.43 -0.20 0.00 -0.26 0.00 0.00 60.65 60.61 1oy0 s ILE 215 Cb 0.09 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.06 1oy0 s ILE 215 CO 0.81 -0.37 1.32 -2.84 0.24 0.00 0.00 174.94 174.11 1oy0 s PRO 216 N -3.54 2.87 -0.13 0.37 0.02 -1.26 -4.85 135.00 128.47 1oy0 s PRO 216 Ca 0.48 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1oy0 s PRO 216 Cb -0.11 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1oy0 s PRO 216 CO 0.28 -1.37 -0.15 0.95 -0.33 0.00 0.00 177.00 176.38 1oy0 s THR 217 N -1.36 2.84 -0.25 0.99 -4.23 -1.26 -1.82 115.64 110.55 1oy0 s THR 217 Ca 0.77 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1oy0 s THR 217 Cb -0.39 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1oy0 s THR 217 CO 0.43 0.52 0.02 -0.69 -0.54 0.00 0.00 174.62 174.37 1oy0 s VAL 218 N 0.50 3.76 0.20 2.29 1.01 0.15 -1.20 120.40 127.10 1oy0 s VAL 218 Ca -0.10 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1oy0 s VAL 218 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1oy0 s VAL 218 CO 0.04 0.30 0.20 -0.83 0.00 0.00 0.00 175.10 174.82 1oy0 s GLY 219 N 1.51 1.56 -0.28 4.51 0.00 -0.03 -0.52 107.32 114.08 1oy0 s GLY 219 Ca 0.05 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.53 1oy0 s GLY 219 CO 0.00 -1.27 0.40 -1.50 0.00 0.00 0.00 173.10 170.73 1oy0 s ILE 220 N -1.89 -0.61 -0.73 0.90 2.07 -1.04 -0.63 121.20 119.27 1oy0 s ILE 220 Ca 0.32 -0.27 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1oy0 s ILE 220 Cb -0.09 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1oy0 s ILE 220 CO 0.25 -0.27 0.43 0.61 -1.91 0.00 0.00 174.94 174.05 1oy0 n GLY 221 N 5.35 0.15 0.02 1.50 0.00 -1.26 -2.35 105.19 108.60 1oy0 n GLY 221 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1oy0 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy0 n ALA 222 N -3.14 2.42 0.00 4.61 0.00 -1.26 -2.36 120.51 120.77 1oy0 n ALA 222 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1oy0 n ALA 222 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1oy0 n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oy0 n GLY 223 N 0.23 0.90 0.03 0.00 0.00 -1.26 -3.72 105.19 101.36 1oy0 n GLY 223 Ca 0.00 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 44.07 1oy0 n GLY 223 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oy0 n PRO 224 N 0.65 0.08 -2.36 1.61 -0.04 -1.26 -4.50 135.00 129.18 1oy0 n PRO 224 Ca 0.00 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1oy0 n PRO 224 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1oy0 n PRO 224 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oy0 n ASN 225 N -1.70 6.48 -3.94 3.54 3.02 -1.26 -4.89 115.26 116.51 1oy0 n ASN 225 Ca 0.06 -3.23 -0.13 0.00 -0.03 0.00 0.00 54.58 51.25 1oy0 n ASN 225 Cb 0.37 -1.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.03 1oy0 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oy0 h ASP 227 N 5.69 0.00 -5.05 0.00 3.32 -1.50 -3.44 116.42 115.44 1oy0 h ASP 227 Ca -0.28 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1oy0 h ASP 227 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1oy0 h ASP 227 CO 0.48 0.00 0.13 -0.83 -1.72 0.00 0.00 179.24 177.30 1oy0 s GLY 228 N -3.92 -0.06 0.13 2.75 0.00 -0.48 -2.88 107.32 102.86 1oy0 s GLY 228 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.48 1oy0 s GLY 228 CO 0.41 -0.18 -0.19 1.20 0.00 0.00 0.00 173.10 174.34 1oy0 s GLN 229 N -3.90 1.18 -0.02 2.90 -1.52 -0.65 -0.85 119.66 116.79 1oy0 s GLN 229 Ca 0.11 -1.29 -0.02 0.00 -1.95 0.00 0.00 55.36 52.22 1oy0 s GLN 229 Cb -0.04 -1.29 0.01 0.00 -0.22 0.00 0.00 33.01 31.48 1oy0 s GLN 229 CO 0.03 0.28 0.06 0.54 -0.25 0.00 0.00 175.29 175.94 1oy0 s VAL 230 N -1.72 -0.01 0.03 1.09 0.11 0.20 0.51 120.40 120.60 1oy0 s VAL 230 Ca 0.11 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1oy0 s VAL 230 Cb -0.07 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1oy0 s VAL 230 CO 0.05 0.02 0.04 -0.76 -3.33 0.00 0.00 175.10 171.12 1oy0 s LEU 231 N 0.30 2.01 -0.29 2.54 1.43 -1.08 -4.40 118.68 119.20 1oy0 s LEU 231 Ca -0.02 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 1oy0 s LEU 231 Cb -0.03 0.37 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1oy0 s LEU 231 CO -0.01 -0.41 1.22 -0.69 0.23 0.00 0.00 176.35 176.68 1oy0 s VAL 232 N -2.09 4.29 0.51 -1.59 1.01 -1.26 -2.18 120.40 119.09 1oy0 s VAL 232 Ca -0.10 1.49 0.32 0.00 0.00 0.00 0.00 61.98 63.69 1oy0 s VAL 232 Cb -0.05 -4.23 0.51 0.00 0.00 0.00 0.00 36.38 32.62 1oy0 s VAL 232 CO -0.03 -0.43 1.80 4.11 0.00 0.00 0.00 175.10 180.56 1oy0 h TRP 233 N 8.71 0.17 -0.94 5.22 5.08 -1.93 0.24 115.95 132.49 1oy0 h TRP 233 Ca -0.24 0.01 0.04 0.00 1.08 0.00 0.00 58.89 59.78 1oy0 h TRP 233 Cb 1.09 -0.05 -0.06 0.00 -3.00 0.00 0.00 29.16 27.14 1oy0 h TRP 233 CO 0.85 0.01 0.61 1.96 -1.28 0.00 0.00 178.44 180.59 1oy0 h GLN 234 N 0.09 1.12 0.04 0.12 1.08 -1.90 -0.00 115.11 115.67 1oy0 h GLN 234 Ca 0.57 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.57 1oy0 h GLN 234 Cb 2.06 -0.25 0.01 0.00 -0.05 0.00 0.00 27.48 29.24 1oy0 h GLN 234 CO -0.08 0.74 -0.53 -0.44 -0.95 0.00 0.00 178.83 177.57 1oy0 h ASP 235 N 1.16 0.40 -0.89 1.46 3.32 -0.90 0.48 116.42 121.44 1oy0 h ASP 235 Ca 0.38 -0.84 0.18 0.00 0.02 0.00 0.00 57.03 56.78 1oy0 h ASP 235 Cb 0.05 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 1oy0 h ASP 235 CO -0.14 1.19 0.58 -0.03 -1.72 0.00 0.00 179.24 179.13 1oy0 h MET 236 N -0.34 0.49 -0.22 3.56 4.05 -0.99 -1.98 114.93 119.49 1oy0 h MET 236 Ca -0.08 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1oy0 h MET 236 Cb 1.31 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1oy0 h MET 236 CO 0.10 0.32 0.00 0.00 0.23 0.00 0.00 176.91 177.57 1oy0 n ALA 237 N -2.48 2.83 -3.49 0.39 0.00 -0.05 -0.84 120.51 116.88 1oy0 n ALA 237 Ca 0.19 -2.28 -0.16 0.00 0.00 0.00 0.00 53.44 51.19 1oy0 n ALA 237 Cb 0.62 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1oy0 n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oy0 n GLY 238 N -0.59 -1.25 0.00 0.00 0.00 -0.75 -0.58 105.19 102.03 1oy0 n GLY 238 Ca 0.20 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1oy0 n GLY 238 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oy0 n PHE 239 N -2.47 0.00 -4.48 1.61 7.35 0.16 -0.06 117.46 119.56 1oy0 n PHE 239 Ca -0.17 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.26 1oy0 n PHE 239 Cb 0.61 -0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.27 1oy0 n PHE 239 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1oy0 s SER 240 N -1.25 1.96 0.37 -2.13 1.04 -1.22 -4.80 113.70 107.66 1oy0 s SER 240 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1oy0 s SER 240 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1oy0 s SER 240 CO 0.02 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1oy0 n GLY 241 N 4.03 0.70 0.00 7.32 0.00 -1.26 -4.66 105.19 111.31 1oy0 n GLY 241 Ca -0.21 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1oy0 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy0 n ALA 242 N 1.67 0.79 -2.33 4.61 0.00 -1.26 -4.99 120.51 119.00 1oy0 n ALA 242 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1oy0 n ALA 242 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1oy0 n ALA 242 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1oy0 s LYS 243 N -0.63 3.17 -0.41 0.00 2.20 -1.26 -4.95 119.74 117.86 1oy0 s LYS 243 Ca 0.00 -0.98 -0.28 0.00 -0.36 0.00 0.00 55.97 54.34 1oy0 s LYS 243 Cb 0.00 -5.27 0.02 0.00 -1.51 0.00 0.00 37.83 31.07 1oy0 s LYS 243 CO 0.00 -2.83 1.07 -0.08 -0.36 0.00 0.00 175.35 173.14 1oy0 s THR 244 N 7.34 4.38 1.17 3.43 -1.32 -1.26 -5.01 115.64 124.37 1oy0 s THR 244 Ca 0.58 1.34 -0.13 0.00 -1.21 0.00 0.00 61.69 62.27 1oy0 s THR 244 Cb -0.02 -4.49 0.29 0.00 -1.51 0.00 0.00 72.50 66.77 1oy0 s THR 244 CO -0.01 -0.75 1.03 0.00 -2.21 0.00 0.00 174.62 172.67 1oy0 s ALA 245 N 3.99 -0.44 0.15 11.08 0.00 -1.26 -4.88 121.76 130.40 1oy0 s ALA 245 Ca 0.45 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1oy0 s ALA 245 Cb -0.10 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.89 1oy0 s ALA 245 CO 0.24 -3.84 1.70 0.00 0.00 0.00 0.00 175.76 173.86 1oy0 h ARG 246 N -2.63 0.09 0.00 0.00 3.08 -2.05 -2.31 114.38 110.56 1oy0 h ARG 246 Ca -0.61 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1oy0 h ARG 246 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1oy0 h ARG 246 CO 0.51 0.06 0.00 1.97 -1.07 0.00 0.00 179.97 181.44 1oy0 n PHE 247 N -5.18 0.00 -4.46 3.04 1.16 -1.26 -4.73 117.46 106.03 1oy0 n PHE 247 Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.25 1oy0 n PHE 247 Cb 0.18 -0.18 -0.11 0.00 -1.61 0.00 0.00 39.48 37.75 1oy0 n PHE 247 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1oy0 s VAL 248 N -2.36 3.93 -0.22 1.97 1.01 -0.87 -4.53 120.40 119.34 1oy0 s VAL 248 Ca 0.22 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1oy0 s VAL 248 Cb 0.13 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1oy0 s VAL 248 CO 0.27 0.55 0.00 -0.75 0.00 0.00 0.00 175.10 175.17 1oy0 s LYS 249 N -0.26 3.55 -0.79 2.72 2.20 -1.26 -4.65 119.74 121.25 1oy0 s LYS 249 Ca 0.04 -0.54 -0.26 0.00 -0.36 0.00 0.00 55.97 54.85 1oy0 s LYS 249 Cb -0.13 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1oy0 s LYS 249 CO 0.02 -0.09 1.42 0.50 -0.36 0.00 0.00 175.35 176.84 1oy0 s ARG 250 N 1.27 3.18 0.00 4.03 3.52 -1.26 -4.58 118.95 125.10 1oy0 s ARG 250 Ca 0.04 -0.33 0.28 0.00 -0.13 0.00 0.00 55.73 55.59 1oy0 s ARG 250 Cb -0.15 -4.50 1.65 0.00 -1.56 0.00 0.00 34.95 30.40 1oy0 s ARG 250 CO 0.01 -2.29 2.00 0.66 -0.81 0.00 0.00 175.30 174.87 1oy0 n TYR 251 N 9.89 0.00 -0.40 5.12 4.02 -0.02 -4.92 117.16 130.85 1oy0 n TYR 251 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1oy0 n TYR 251 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1oy0 n TYR 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oy0 n ALA 252 N -0.99 0.00 -2.98 -0.72 0.00 -1.24 -4.98 120.51 109.59 1oy0 n ALA 252 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1oy0 n ALA 252 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1oy0 n ALA 252 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1oy0 n ASP 253 N 0.40 2.75 0.10 0.00 4.64 -1.25 -3.20 116.55 120.00 1oy0 n ASP 253 Ca 0.00 -3.33 0.05 0.00 -1.38 0.00 0.00 54.79 50.13 1oy0 n ASP 253 Cb 0.00 -0.57 0.49 0.00 -1.04 0.00 0.00 41.12 40.00 1oy0 n ASP 253 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1oy0 h VAL 254 N 2.13 1.08 0.22 5.18 2.07 -0.85 -0.57 116.25 125.51 1oy0 h VAL 254 Ca 0.11 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1oy0 h VAL 254 Cb 0.78 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1oy0 h VAL 254 CO 0.66 0.08 -0.11 1.23 0.02 0.00 0.00 177.57 179.46 1oy0 h GLY 255 N 0.38 -0.31 0.68 2.17 0.00 -0.56 -2.05 103.07 103.38 1oy0 h GLY 255 Ca 0.09 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.58 1oy0 h GLY 255 CO -0.01 -0.11 0.24 -1.33 0.00 0.00 0.00 176.54 175.32 1oy0 h GLY 256 N -0.51 0.70 0.62 4.60 0.00 -1.59 -0.66 103.07 106.22 1oy0 h GLY 256 Ca -0.03 -0.16 0.15 0.00 0.00 0.00 0.00 47.33 47.29 1oy0 h GLY 256 CO 0.05 0.08 0.54 -2.09 0.00 0.00 0.00 176.54 175.12 1oy0 h GLU 257 N 0.46 0.53 -0.01 4.80 4.22 -1.02 0.18 114.58 123.74 1oy0 h GLU 257 Ca 0.23 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.48 1oy0 h GLU 257 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1oy0 h GLU 257 CO -0.18 0.35 -0.71 1.25 -2.18 0.00 0.00 179.01 177.54 1oy0 h LEU 258 N 0.54 0.05 -0.18 1.64 5.85 -0.41 -2.84 115.31 119.97 1oy0 h LEU 258 Ca 0.40 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1oy0 h LEU 258 Cb 0.78 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1oy0 h LEU 258 CO -0.16 0.74 0.09 0.03 -0.34 0.00 0.00 178.44 178.81 1oy0 h ARG 259 N 0.03 0.26 0.08 1.25 3.08 0.27 -1.64 114.38 117.71 1oy0 h ARG 259 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1oy0 h ARG 259 Cb 1.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1oy0 h ARG 259 CO 0.10 0.28 -0.04 0.07 -1.07 0.00 0.00 179.97 179.31 1oy0 h ARG 260 N 0.17 -0.11 -0.95 0.04 -0.00 -1.51 0.19 114.38 112.21 1oy0 h ARG 260 Ca 0.06 0.01 0.28 0.00 -0.00 0.00 0.00 59.98 60.33 1oy0 h ARG 260 Cb 0.11 0.02 -0.17 0.00 -0.00 0.00 0.00 29.97 29.94 1oy0 h ARG 260 CO -0.01 0.17 0.19 0.00 -0.00 0.00 0.00 179.97 180.32 1oy0 h ALA 261 N 0.50 1.38 -0.02 0.08 0.00 -1.42 1.68 119.26 121.46 1oy0 h ALA 261 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1oy0 h ALA 261 Cb 0.33 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1oy0 h ALA 261 CO 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 179.25 178.62 1oy0 h ALA 262 N 1.92 0.04 -0.60 0.00 0.00 -0.95 -1.43 119.26 118.24 1oy0 h ALA 262 Ca 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1oy0 h ALA 262 Cb 1.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1oy0 h ALA 262 CO -0.80 -0.15 0.40 0.52 0.00 0.00 0.00 179.25 179.21 1oy0 h MET 263 N -0.46 0.79 -0.32 0.00 2.07 0.31 0.98 114.93 118.30 1oy0 h MET 263 Ca 0.00 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 1oy0 h MET 263 Cb 0.60 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1oy0 h MET 263 CO 0.01 0.52 0.04 0.37 1.07 0.00 0.00 176.91 178.92 1oy0 h GLN 264 N 0.81 0.54 -0.39 1.72 4.15 0.22 -1.52 115.11 120.64 1oy0 h GLN 264 Ca 0.22 -0.16 0.08 0.00 0.77 0.00 0.00 58.65 59.56 1oy0 h GLN 264 Cb -0.09 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.47 1oy0 h GLN 264 CO -0.05 0.65 -0.05 -0.92 -1.93 0.00 0.00 178.83 176.52 1oy0 h TYR 265 N 0.36 -0.13 -0.21 3.99 3.20 -0.80 -0.42 116.97 122.97 1oy0 h TYR 265 Ca 0.10 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1oy0 h TYR 265 Cb 0.38 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1oy0 h TYR 265 CO 0.03 -0.13 -0.04 0.00 -1.64 0.00 0.00 178.16 176.37 1oy0 h ALA 266 N 1.37 0.14 -0.66 1.82 0.00 -0.52 -1.27 119.26 120.15 1oy0 h ALA 266 Ca 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1oy0 h ALA 266 Cb 0.29 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1oy0 h ALA 266 CO -0.37 -0.47 0.31 0.37 0.00 0.00 0.00 179.25 179.09 1oy0 h GLN 267 N 0.01 0.96 -0.37 0.00 4.15 -0.73 -0.87 115.11 118.25 1oy0 h GLN 267 Ca 0.10 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1oy0 h GLN 267 Cb 0.15 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1oy0 h GLN 267 CO -0.21 0.77 0.06 0.93 -1.93 0.00 0.00 178.83 178.45 1oy0 h GLU 268 N 0.92 0.56 -0.18 1.69 5.08 -0.81 0.74 114.58 122.58 1oy0 h GLU 268 Ca 0.23 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1oy0 h GLU 268 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1oy0 h GLU 268 CO -0.03 0.54 0.02 0.28 -1.00 0.00 0.00 179.01 178.83 1oy0 h VAL 269 N 0.55 1.23 -0.40 3.13 2.07 -0.69 0.43 116.25 122.57 1oy0 h VAL 269 Ca 0.12 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1oy0 h VAL 269 Cb 0.26 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1oy0 h VAL 269 CO 0.00 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 1oy0 h ALA 270 N 0.81 1.22 -0.23 1.67 0.00 -0.47 -2.27 119.26 119.99 1oy0 h ALA 270 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oy0 h ALA 270 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1oy0 h ALA 270 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1oy0 n GLY 271 N -0.72 0.13 3.74 0.00 0.00 0.25 -4.88 105.19 103.71 1oy0 n GLY 271 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1oy0 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oy0 n GLY 272 N 0.84 0.09 0.17 -0.02 0.00 -0.56 -4.77 105.19 100.95 1oy0 n GLY 272 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1oy0 n GLY 272 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1oy0 h VAL 273 N 0.00 1.32 -3.99 1.61 -1.51 -1.22 -3.42 116.25 109.04 1oy0 h VAL 273 Ca 0.00 -1.52 -0.54 0.00 -1.23 0.00 0.00 66.70 63.40 1oy0 h VAL 273 Cb 0.15 1.82 -0.31 0.00 -2.13 0.00 0.00 31.29 30.82 1oy0 h VAL 273 CO 0.00 0.44 -0.83 0.12 -1.23 0.00 0.00 177.57 176.06 1oy0 s PHE 274 N -4.02 1.59 0.58 5.19 5.36 -0.64 -3.45 117.98 122.59 1oy0 s PHE 274 Ca -0.02 -0.42 -0.14 0.00 -0.96 0.00 0.00 56.93 55.39 1oy0 s PHE 274 Cb 0.14 -1.07 -0.05 0.00 -0.34 0.00 0.00 43.02 41.70 1oy0 s PHE 274 CO 0.74 -0.13 1.02 -1.25 -1.46 0.00 0.00 175.22 174.14 1oy0 s PRO 275 N -0.05 3.66 0.00 10.12 0.04 -1.26 -4.04 135.00 143.47 1oy0 s PRO 275 Ca -0.01 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1oy0 s PRO 275 Cb -0.10 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1oy0 s PRO 275 CO 0.01 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.54 1oy0 n ALA 276 N -2.23 0.00 -0.05 8.56 0.00 -1.22 -4.98 120.51 120.58 1oy0 n ALA 276 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1oy0 n ALA 276 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1oy0 n ALA 276 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1oy0 n ASP 277 N 0.00 1.07 0.05 0.00 9.92 -1.26 -3.70 116.55 122.62 1oy0 n ASP 277 Ca 0.00 0.17 0.03 0.00 -0.53 0.00 0.00 54.79 54.46 1oy0 n ASP 277 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1oy0 n ASP 277 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1oy0 n GLU 278 N -3.09 0.04 0.00 -1.24 0.28 -1.26 -5.30 120.64 110.07 1oy0 n GLU 278 Ca -0.29 0.51 0.07 0.00 -0.16 0.00 0.00 57.16 57.28 1oy0 n GLU 278 Cb 1.07 -1.67 0.06 0.00 1.43 0.00 0.00 31.44 32.32 1oy0 n GLU 278 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69