#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oat n PRO 37 N 0.00 0.00 -0.04 1.61 -0.02 -1.26 -4.95 135.00 130.33 1oat n PRO 37 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1oat n PRO 37 Cb 0.00 -1.33 0.28 0.00 -0.02 0.00 0.00 33.50 32.43 1oat n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1oat n PRO 38 N 5.30 2.09 -4.02 0.52 -0.04 -1.26 -4.60 135.00 132.99 1oat n PRO 38 Ca 0.39 -1.61 -0.30 0.00 -0.04 0.00 0.00 63.50 61.94 1oat n PRO 38 Cb -0.04 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 1oat n PRO 38 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1oat s THR 39 N -1.88 4.72 0.19 0.52 2.01 -1.26 -4.83 115.64 115.10 1oat s THR 39 Ca 0.33 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 1oat s THR 39 Cb 0.20 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.52 1oat s THR 39 CO 0.31 0.12 1.77 0.28 -0.69 0.00 0.00 174.62 176.40 1oat h SER 40 N 3.20 0.30 0.19 3.53 0.02 -1.94 -0.97 113.55 117.89 1oat h SER 40 Ca -0.46 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1oat h SER 40 Cb 1.16 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1oat h SER 40 CO 0.68 0.20 -0.18 0.44 -1.14 0.00 0.00 176.83 176.83 1oat h ASP 41 N 0.45 0.00 0.42 3.07 5.19 -1.99 -1.31 116.42 122.25 1oat h ASP 41 Ca 0.25 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.47 1oat h ASP 41 Cb 0.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1oat h ASP 41 CO -0.21 0.18 -0.81 0.44 -3.12 0.00 0.00 179.24 175.72 1oat h ASP 42 N 0.00 0.37 -0.12 6.45 3.32 -1.72 -2.46 116.42 122.26 1oat h ASP 42 Ca -0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 1oat h ASP 42 Cb 0.32 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1oat h ASP 42 CO 0.02 1.03 -0.55 0.40 -1.72 0.00 0.00 179.24 178.42 1oat h ILE 43 N 0.18 1.30 -0.38 0.35 2.04 -0.51 -1.90 117.51 118.59 1oat h ILE 43 Ca -0.04 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 63.97 1oat h ILE 43 Cb 1.40 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1oat h ILE 43 CO 0.13 0.56 -0.08 -0.26 0.00 0.00 0.00 178.15 178.50 1oat h PHE 44 N 0.55 0.81 -0.47 1.37 0.04 -1.28 -2.74 116.94 115.22 1oat h PHE 44 Ca 0.01 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.55 1oat h PHE 44 Cb 1.12 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1oat h PHE 44 CO 0.06 0.86 0.06 1.49 -0.60 0.00 0.00 178.31 180.18 1oat h GLU 45 N 0.53 0.79 -0.75 1.51 4.81 -1.44 -1.60 114.58 118.43 1oat h GLU 45 Ca 0.10 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1oat h GLU 45 Cb 0.59 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1oat h GLU 45 CO 0.03 0.81 0.23 -0.09 -0.73 0.00 0.00 179.01 179.26 1oat h ARG 46 N 0.65 1.16 -0.29 1.92 2.43 -1.32 -2.49 114.38 116.44 1oat h ARG 46 Ca 0.14 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 1oat h ARG 46 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1oat h ARG 46 CO 0.01 0.99 -0.38 0.93 -1.51 0.00 0.00 179.97 180.01 1oat h GLU 47 N 1.11 0.67 0.00 0.20 5.08 -1.35 -1.80 114.58 118.49 1oat h GLU 47 Ca 0.24 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1oat h GLU 47 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1oat h GLU 47 CO -0.01 0.94 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.88 1oat h TYR 48 N 0.56 0.00 0.11 4.33 5.03 -1.13 0.52 116.97 126.39 1oat h TYR 48 Ca 0.05 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 61.01 1oat h TYR 48 Cb 0.90 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 1oat h TYR 48 CO 0.04 0.15 -1.91 1.17 -1.32 0.00 0.00 178.16 176.29 1oat n LYS 49 N -3.79 0.74 0.00 1.82 4.81 -0.95 -4.58 118.16 116.20 1oat n LYS 49 Ca -0.02 0.30 0.06 0.00 -0.87 0.00 0.00 58.31 57.78 1oat n LYS 49 Cb 0.25 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1oat n LYS 49 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1oat n TYR 50 N -3.60 0.00 -4.42 5.64 4.01 -0.69 -5.01 117.16 113.08 1oat n TYR 50 Ca -0.32 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.16 1oat n TYR 50 Cb 1.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.92 1oat n TYR 50 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1oat s GLY 51 N -1.59 1.76 0.57 2.72 0.00 0.17 -5.05 107.32 105.91 1oat s GLY 51 Ca 0.11 -1.69 -0.20 0.00 0.00 0.00 0.00 44.72 42.94 1oat s GLY 51 CO 0.32 -1.73 1.23 0.00 0.00 0.00 0.00 173.10 172.92 1oat s ALA 52 N -1.91 2.62 -0.51 3.20 0.00 -1.26 -4.70 121.76 119.20 1oat s ALA 52 Ca 0.24 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1oat s ALA 52 Cb -0.07 -3.47 0.26 0.00 0.00 0.00 0.00 23.12 19.84 1oat s ALA 52 CO 0.12 -1.17 2.20 0.72 0.00 0.00 0.00 175.76 177.63 1oat n HIS 53 N -1.40 2.18 1.55 0.00 8.25 -1.26 -4.56 115.22 119.98 1oat n HIS 53 Ca 0.13 -2.29 0.15 0.00 -0.26 0.00 0.00 57.72 55.44 1oat n HIS 53 Cb 0.49 -1.22 0.77 0.00 1.12 0.00 0.00 29.99 31.15 1oat n HIS 53 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1oat n ASN 54 N 0.02 0.11 -4.16 0.41 6.94 -1.26 -4.83 115.26 112.50 1oat n ASN 54 Ca 0.46 -0.43 -0.16 0.00 -0.02 0.00 0.00 54.58 54.43 1oat n ASN 54 Cb 0.55 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.68 1oat n ASN 54 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1oat s TYR 55 N -2.42 1.06 -0.55 -2.53 2.02 -1.26 -5.09 117.35 108.58 1oat s TYR 55 Ca 0.33 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1oat s TYR 55 Cb 0.21 -0.59 0.15 0.00 -0.40 0.00 0.00 41.96 41.33 1oat s TYR 55 CO 0.44 0.01 0.36 -1.58 -1.57 0.00 0.00 175.55 173.21 1oat s HIS 56 N -1.83 2.60 0.90 2.71 5.65 -1.26 -5.12 115.29 118.94 1oat s HIS 56 Ca 0.00 -2.86 -0.12 0.00 0.25 0.00 0.00 55.06 52.33 1oat s HIS 56 Cb -0.07 -2.16 0.13 0.00 -1.18 0.00 0.00 32.58 29.31 1oat s HIS 56 CO 0.01 -0.69 1.10 -2.14 -0.65 0.00 0.00 174.74 172.36 1oat s PRO 57 N -0.48 1.22 0.01 2.88 0.02 -1.26 -5.00 135.00 132.40 1oat s PRO 57 Ca 0.23 0.68 -0.30 0.00 0.02 0.00 0.00 61.00 61.63 1oat s PRO 57 Cb -0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1oat s PRO 57 CO -0.10 -2.23 1.02 -1.17 -0.33 0.00 0.00 177.00 174.19 1oat s LEU 58 N -6.18 4.37 -0.95 -5.54 2.96 -1.26 -4.91 118.68 107.18 1oat s LEU 58 Ca 0.63 1.73 -0.25 0.00 -0.22 0.00 0.00 54.13 56.02 1oat s LEU 58 Cb -0.17 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.83 1oat s LEU 58 CO 0.56 -0.30 2.13 -2.16 -1.32 0.00 0.00 176.35 175.26 1oat s PRO 59 N 1.00 1.95 -0.13 0.98 0.04 -1.26 -4.81 135.00 132.78 1oat s PRO 59 Ca 0.53 -0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.26 1oat s PRO 59 Cb -0.23 -4.99 0.04 0.00 0.04 0.00 0.00 34.50 29.37 1oat s PRO 59 CO 0.28 -4.28 0.32 0.08 0.04 0.00 0.00 177.00 173.45 1oat s VAL 60 N 13.22 -0.02 -0.38 -0.36 1.01 -1.26 -5.13 120.40 127.48 1oat s VAL 60 Ca 0.79 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1oat s VAL 60 Cb -0.07 -0.47 0.11 0.00 0.00 0.00 0.00 36.38 35.94 1oat s VAL 60 CO 0.08 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.34 1oat s ALA 61 N 0.79 3.03 0.37 5.51 0.00 -1.26 -5.09 121.76 125.11 1oat s ALA 61 Ca -0.05 -2.58 -0.16 0.00 0.00 0.00 0.00 51.96 49.17 1oat s ALA 61 Cb -0.06 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 1oat s ALA 61 CO -0.05 -1.75 0.81 -0.51 0.00 0.00 0.00 175.76 174.25 1oat s LEU 62 N 0.94 3.97 0.00 0.00 2.01 -1.26 -0.88 118.68 123.46 1oat s LEU 62 Ca 0.10 1.38 0.00 0.00 0.01 0.00 0.00 54.13 55.62 1oat s LEU 62 Cb -0.21 -4.22 0.00 0.00 0.01 0.00 0.00 46.19 41.78 1oat s LEU 62 CO -0.06 -0.30 0.00 -1.84 1.01 0.00 0.00 176.35 175.16 1oat n GLU 63 N -0.65 1.76 -3.75 1.70 0.28 -0.61 -4.83 120.64 114.53 1oat n GLU 63 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.91 1oat n GLU 63 Cb 0.54 -0.16 -0.09 0.00 1.43 0.00 0.00 31.44 33.15 1oat n GLU 63 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1oat s ARG 64 N -0.15 0.60 -0.10 3.44 3.52 -1.19 -5.04 118.95 120.03 1oat s ARG 64 Ca 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 1oat s ARG 64 Cb 0.00 0.27 0.03 0.00 -1.56 0.00 0.00 34.95 33.69 1oat s ARG 64 CO 0.00 -0.15 0.31 0.20 -0.81 0.00 0.00 175.30 174.85 1oat s GLY 65 N -0.90 -0.22 -0.19 8.12 0.00 -1.26 -0.79 107.32 112.08 1oat s GLY 65 Ca -0.10 0.79 -0.07 0.00 0.00 0.00 0.00 44.72 45.34 1oat s GLY 65 CO 0.03 0.66 0.41 1.25 0.00 0.00 0.00 173.10 175.45 1oat s LYS 66 N -0.03 0.33 7.98 2.90 2.47 0.04 -4.47 119.74 128.95 1oat s LYS 66 Ca -0.02 0.98 0.00 0.00 -1.56 0.00 0.00 55.97 55.37 1oat s LYS 66 Cb -0.03 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.59 1oat s LYS 66 CO 0.01 -0.24 0.00 0.41 0.16 0.00 0.00 175.35 175.69 1oat n GLY 67 N 5.18 4.09 0.63 5.54 0.00 -0.62 -1.30 105.19 118.71 1oat n GLY 67 Ca -0.11 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1oat n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1oat n ILE 68 N 0.00 0.08 -4.16 -0.61 -5.35 -1.26 -0.52 119.36 107.55 1oat n ILE 68 Ca 0.00 -0.35 -0.29 0.00 -0.27 0.00 0.00 62.75 61.84 1oat n ILE 68 Cb 0.00 0.69 -0.08 0.00 -1.74 0.00 0.00 39.64 38.51 1oat n ILE 68 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1oat s TYR 69 N -1.92 2.93 -0.01 4.28 2.02 -0.42 -1.05 117.35 123.18 1oat s TYR 69 Ca 0.35 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1oat s TYR 69 Cb 0.20 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1oat s TYR 69 CO 0.31 0.49 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.25 1oat s LEU 70 N -2.54 1.76 -0.05 -1.29 1.43 -0.40 -0.78 118.68 116.82 1oat s LEU 70 Ca 0.26 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1oat s LEU 70 Cb -0.11 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1oat s LEU 70 CO 0.18 -0.00 -0.21 0.26 0.23 0.00 0.00 176.35 176.81 1oat s TRP 71 N 0.25 2.51 0.00 0.29 0.51 0.03 0.21 118.94 122.74 1oat s TRP 71 Ca -0.02 -0.44 0.00 0.00 -2.12 0.00 0.00 56.10 53.52 1oat s TRP 71 Cb -0.05 -1.59 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 1oat s TRP 71 CO -0.01 -0.03 0.00 -0.40 -0.51 0.00 0.00 176.95 176.01 1oat n ASP 72 N 2.61 0.00 0.15 2.95 5.68 -0.72 -1.58 116.55 125.63 1oat n ASP 72 Ca -0.17 -0.90 0.01 0.00 -0.50 0.00 0.00 54.79 53.24 1oat n ASP 72 Cb 0.52 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.65 1oat n ASP 72 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1oat h VAL 73 N -0.53 1.14 0.00 2.12 -1.51 -1.33 -2.91 116.25 113.22 1oat h VAL 73 Ca 0.00 -2.12 0.00 0.00 -1.23 0.00 0.00 66.70 63.35 1oat h VAL 73 Cb 0.00 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1oat h VAL 73 CO 0.00 0.55 0.00 -0.62 -1.23 0.00 0.00 177.57 176.27 1oat n GLU 74 N -3.49 0.97 -0.42 5.19 4.71 -1.26 -4.89 120.64 121.46 1oat n GLU 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1oat n GLU 74 Cb 0.65 -1.06 0.00 0.00 -1.01 0.00 0.00 31.44 30.02 1oat n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1oat n GLY 75 N 0.53 2.10 3.76 0.62 0.00 -1.10 -5.02 105.19 106.08 1oat n GLY 75 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1oat n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oat s ARG 76 N -0.01 3.42 -0.10 1.61 0.52 -1.26 -4.74 118.95 118.38 1oat s ARG 76 Ca 0.00 1.85 -0.03 0.00 -0.52 0.00 0.00 55.73 57.03 1oat s ARG 76 Cb 0.00 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 1oat s ARG 76 CO 0.00 -0.85 0.02 0.21 0.02 0.00 0.00 175.30 174.70 1oat s LYS 77 N -2.96 3.17 0.04 3.54 2.20 -1.26 -1.76 119.74 122.71 1oat s LYS 77 Ca 0.69 -0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1oat s LYS 77 Cb -0.30 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1oat s LYS 77 CO 0.36 0.65 -0.11 0.71 -0.36 0.00 0.00 175.35 176.59 1oat s TYR 78 N -0.71 0.94 -0.10 4.03 1.51 0.13 -4.73 117.35 118.42 1oat s TYR 78 Ca 0.11 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1oat s TYR 78 Cb -0.12 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1oat s TYR 78 CO 0.02 -0.00 0.99 -0.06 -1.11 0.00 0.00 175.55 175.39 1oat s PHE 79 N -0.94 3.51 -0.62 2.71 0.08 0.08 -1.28 117.98 121.53 1oat s PHE 79 Ca -0.02 1.57 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 1oat s PHE 79 Cb -0.08 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1oat s PHE 79 CO 0.01 -0.21 1.13 0.34 -0.10 0.00 0.00 175.22 176.39 1oat s ASP 80 N 1.09 6.31 -0.27 1.36 2.15 -0.22 -0.68 116.67 126.42 1oat s ASP 80 Ca 0.48 -0.28 0.12 0.00 0.43 0.00 0.00 52.55 53.30 1oat s ASP 80 Cb -0.18 -2.51 0.68 0.00 -0.30 0.00 0.00 42.92 40.61 1oat s ASP 80 CO 0.18 -1.51 1.66 0.49 -0.17 0.00 0.00 175.17 175.83 1oat n PHE 81 N 8.36 1.86 -0.01 -5.34 3.01 0.13 -4.05 117.46 121.43 1oat n PHE 81 Ca 0.04 -1.08 -0.01 0.00 1.01 0.00 0.00 57.45 57.42 1oat n PHE 81 Cb 0.48 -0.54 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 1oat n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1oat n LEU 82 N -0.21 0.78 -2.43 4.37 7.94 -1.18 -0.34 117.00 125.92 1oat n LEU 82 Ca 0.33 -0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.09 1oat n LEU 82 Cb 1.19 0.01 -0.01 0.00 0.53 0.00 0.00 43.42 45.14 1oat n LEU 82 CO 0.32 0.15 -0.18 -1.20 -1.11 0.00 0.00 177.39 175.37 1oat n SER 83 N -2.17 -4.26 -2.31 1.96 7.64 -1.13 -1.62 113.62 111.74 1oat n SER 83 Ca -0.02 0.16 -0.18 0.00 1.01 0.00 0.00 58.87 59.85 1oat n SER 83 Cb 0.53 -3.60 0.02 0.00 -1.01 0.00 0.00 64.21 60.15 1oat n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1oat n SER 84 N -1.83 -5.16 -2.42 6.43 2.88 -1.26 -1.11 113.62 111.15 1oat n SER 84 Ca -0.16 -0.17 -0.16 0.00 -1.33 0.00 0.00 58.87 57.05 1oat n SER 84 Cb 0.62 -4.07 0.05 0.00 -0.75 0.00 0.00 64.21 60.06 1oat n SER 84 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1oat n TYR 85 N -4.20 -1.76 -1.44 0.66 4.01 -0.64 -3.02 117.16 110.77 1oat n TYR 85 Ca -0.12 0.59 -0.01 0.00 -0.16 0.00 0.00 57.90 58.20 1oat n TYR 85 Cb 0.61 -3.58 -0.00 0.00 -0.31 0.00 0.00 39.34 36.06 1oat n TYR 85 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1oat n SER 86 N -1.37 -2.38 0.06 7.72 7.64 -0.97 -4.89 113.62 119.43 1oat n SER 86 Ca -0.01 0.02 0.08 0.00 1.01 0.00 0.00 58.87 59.96 1oat n SER 86 Cb 0.55 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 1oat n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oat n ALA 87 N 0.16 2.40 -2.97 -0.43 0.00 -0.26 -3.31 120.51 116.09 1oat n ALA 87 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 1oat n ALA 87 Cb 0.24 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1oat n ALA 87 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1oat n VAL 88 N -2.66 3.79 -0.12 0.00 0.24 -0.62 -2.45 118.33 116.51 1oat n VAL 88 Ca -0.04 -5.63 -0.05 0.00 -2.04 0.00 0.00 64.34 56.57 1oat n VAL 88 Cb 0.64 -1.62 0.13 0.00 -1.47 0.00 0.00 33.84 31.52 1oat n VAL 88 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1oat h ASN 89 N 3.68 0.81 -0.04 -1.34 2.35 -1.84 -2.81 115.58 116.38 1oat h ASN 89 Ca 0.24 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1oat h ASN 89 Cb 0.50 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1oat h ASN 89 CO 0.94 0.89 0.00 0.00 -1.65 0.00 0.00 177.43 177.61 1oat n GLN 90 N -4.19 1.12 0.00 0.81 3.00 -1.26 0.06 117.38 116.91 1oat n GLN 90 Ca 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1oat n GLN 90 Cb 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.45 1oat n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oat n GLY 91 N 0.66 -1.71 3.77 1.08 0.00 -1.06 -4.65 105.19 103.29 1oat n GLY 91 Ca 0.05 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 1oat n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oat s HIS 92 N -3.11 2.90 -1.25 1.61 0.09 0.32 -3.81 115.29 112.05 1oat s HIS 92 Ca 0.00 1.53 -0.14 0.00 -0.00 0.00 0.00 55.06 56.44 1oat s HIS 92 Cb 0.00 -3.42 0.02 0.00 -0.00 0.00 0.00 32.58 29.18 1oat s HIS 92 CO 0.00 -1.54 0.27 0.00 -0.00 0.00 0.00 174.74 173.47 1oat s HIS 94 N -3.99 2.16 0.29 0.00 5.04 -1.25 -4.82 115.29 112.72 1oat s HIS 94 Ca 0.20 -0.02 0.03 0.00 -1.54 0.00 0.00 55.06 53.73 1oat s HIS 94 Cb -0.11 -4.18 0.70 0.00 0.04 0.00 0.00 32.58 29.02 1oat s HIS 94 CO 0.88 -4.87 1.71 -1.00 -2.34 0.00 0.00 174.74 169.13 1oat h PRO 95 N 8.55 0.44 -0.04 2.88 0.13 -1.95 0.05 132.00 142.06 1oat h PRO 95 Ca -0.46 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1oat h PRO 95 Cb 1.22 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1oat h PRO 95 CO 0.95 0.29 -0.47 -0.22 -0.23 0.00 0.00 178.00 178.32 1oat h LYS 96 N 0.45 0.10 0.18 0.86 3.64 -1.98 -0.66 116.57 119.17 1oat h LYS 96 Ca 0.54 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.63 1oat h LYS 96 Cb 0.99 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1oat h LYS 96 CO -0.49 0.55 -1.08 0.82 -2.27 0.00 0.00 179.45 176.98 1oat h ILE 97 N 0.08 1.41 -0.68 2.00 2.04 -1.66 -2.99 117.51 117.71 1oat h ILE 97 Ca 0.00 -2.59 0.05 0.00 1.00 0.00 0.00 64.86 63.32 1oat h ILE 97 Cb 0.86 3.14 -0.05 0.00 -0.74 0.00 0.00 36.82 40.02 1oat h ILE 97 CO 0.07 0.75 0.40 0.58 0.00 0.00 0.00 178.15 179.95 1oat h VAL 98 N -0.18 1.02 0.00 1.67 2.07 -0.92 -1.42 116.25 118.48 1oat h VAL 98 Ca -0.19 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1oat h VAL 98 Cb 1.84 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1oat h VAL 98 CO 0.20 0.14 -0.37 0.78 0.02 0.00 0.00 177.57 178.33 1oat h ASN 99 N 0.75 0.00 -0.26 0.57 2.35 -1.19 -1.51 115.58 116.29 1oat h ASN 99 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1oat h ASN 99 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1oat h ASN 99 CO -0.15 0.37 -0.16 0.00 -1.65 0.00 0.00 177.43 175.84 1oat h ALA 100 N 1.63 1.02 -0.06 -0.83 0.00 -1.12 -1.27 119.26 118.63 1oat h ALA 100 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1oat h ALA 100 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1oat h ALA 100 CO 0.05 0.59 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 1oat h LEU 101 N 0.62 0.18 -1.46 0.00 5.85 -0.97 -2.92 115.31 116.61 1oat h LEU 101 Ca 0.10 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1oat h LEU 101 Cb 0.62 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1oat h LEU 101 CO 0.04 0.64 0.39 0.11 -0.34 0.00 0.00 178.44 179.27 1oat h LYS 102 N -0.28 0.71 -0.04 1.25 1.57 -1.16 -1.58 116.57 117.03 1oat h LYS 102 Ca 0.01 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1oat h LYS 102 Cb 0.59 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1oat h LYS 102 CO 0.02 0.47 -0.60 1.03 -0.57 0.00 0.00 179.45 179.79 1oat h SER 103 N 0.73 0.17 0.43 0.86 0.87 -1.24 -3.31 113.55 112.05 1oat h SER 103 Ca 0.22 -0.10 -0.30 0.00 -1.23 0.00 0.00 61.79 60.38 1oat h SER 103 Cb 0.01 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 1oat h SER 103 CO -0.06 0.73 -1.76 1.67 -0.53 0.00 0.00 176.83 176.89 1oat n GLN 104 N -3.85 0.65 -0.25 2.24 -0.06 -0.93 -4.30 117.38 110.87 1oat n GLN 104 Ca -0.02 0.29 0.17 0.00 -2.00 0.00 0.00 57.00 55.44 1oat n GLN 104 Cb 0.61 -1.78 0.47 0.00 -4.06 0.00 0.00 30.24 25.48 1oat n GLN 104 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 1oat h VAL 105 N 0.01 0.71 0.00 1.69 -1.51 -1.39 0.72 116.25 116.48 1oat h VAL 105 Ca -0.31 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1oat h VAL 105 Cb 2.02 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1oat h VAL 105 CO 0.08 0.09 -0.00 0.44 -1.23 0.00 0.00 177.57 176.94 1oat h ASP 106 N 0.49 0.00 0.00 4.19 3.32 -1.75 -3.39 116.42 119.28 1oat h ASP 106 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1oat h ASP 106 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1oat h ASP 106 CO -0.20 0.00 -0.42 0.29 -1.72 0.00 0.00 179.24 177.20 1oat n LYS 107 N -3.10 0.32 -3.64 3.56 5.02 0.18 -5.07 118.16 115.44 1oat n LYS 107 Ca 0.03 0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 1oat n LYS 107 Cb 0.44 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 1oat n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1oat s LEU 108 N -7.02 -0.61 0.00 -0.35 0.20 -0.81 -5.08 118.68 105.01 1oat s LEU 108 Ca -0.12 1.14 0.00 0.00 0.69 0.00 0.00 54.13 55.84 1oat s LEU 108 Cb 0.02 2.14 0.00 0.00 -0.43 0.00 0.00 46.19 47.91 1oat s LEU 108 CO 0.18 -0.19 0.00 0.35 -0.29 0.00 0.00 176.35 176.39 1oat n THR 109 N 2.69 0.00 -3.54 3.68 -2.24 -1.26 -4.31 114.28 109.29 1oat n THR 109 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1oat n THR 109 Cb 0.56 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1oat n THR 109 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1oat s LEU 110 N -2.93 -0.82 -0.01 3.22 2.96 -1.26 -3.87 118.68 115.97 1oat s LEU 110 Ca 0.00 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1oat s LEU 110 Cb 0.00 1.98 -0.02 0.00 0.50 0.00 0.00 46.19 48.65 1oat s LEU 110 CO 0.00 -0.17 0.03 0.35 -1.32 0.00 0.00 176.35 175.24 1oat n THR 111 N 4.97 0.02 0.00 3.68 -2.24 -1.26 -5.08 114.28 114.38 1oat n THR 111 Ca -0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1oat n THR 111 Cb 0.52 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1oat n THR 111 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1oat n SER 112 N -1.67 0.00 -1.13 3.42 2.88 -1.26 -4.57 113.62 111.28 1oat n SER 112 Ca -0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.57 1oat n SER 112 Cb 0.16 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.82 1oat n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1oat n ARG 113 N -1.31 2.81 0.13 -1.46 1.74 -1.26 -3.36 116.66 113.96 1oat n ARG 113 Ca 0.00 -1.59 0.12 0.00 -0.77 0.00 0.00 57.85 55.61 1oat n ARG 113 Cb 0.00 -1.78 0.21 0.00 -1.02 0.00 0.00 32.46 29.87 1oat n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oat h ALA 114 N 3.18 0.83 -2.30 7.54 0.00 -1.98 -3.45 119.26 123.08 1oat h ALA 114 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1oat h ALA 114 Cb 1.12 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 1oat h ALA 114 CO 0.21 0.00 -0.66 -0.06 0.00 0.00 0.00 179.25 178.74 1oat s PHE 115 N -3.20 1.22 0.23 0.00 0.08 -1.21 -5.16 117.98 109.94 1oat s PHE 115 Ca 0.07 -1.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.04 1oat s PHE 115 Cb 0.10 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 1oat s PHE 115 CO 0.68 -0.25 0.45 0.71 -0.10 0.00 0.00 175.22 176.71 1oat s TYR 116 N -3.70 3.48 0.34 0.36 1.51 -1.26 -4.78 117.35 113.31 1oat s TYR 116 Ca 0.25 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.85 1oat s TYR 116 Cb 0.06 -1.96 -0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1oat s TYR 116 CO 0.05 0.30 -0.01 0.54 -1.11 0.00 0.00 175.55 175.32 1oat s ASN 117 N -3.11 3.16 0.22 2.29 2.20 -1.26 -5.06 114.94 113.38 1oat s ASN 117 Ca 0.41 -1.30 0.25 0.00 -0.94 0.00 0.00 52.86 51.27 1oat s ASN 117 Cb -0.11 -0.25 0.54 0.00 -2.00 0.00 0.00 41.25 39.43 1oat s ASN 117 CO 0.29 -0.43 1.56 -0.55 -2.94 0.00 0.00 177.10 175.03 1oat h ASN 118 N 2.03 0.00 0.40 3.54 -0.00 -2.01 -3.39 115.58 116.14 1oat h ASN 118 Ca -0.42 -0.06 -0.31 0.00 -0.00 0.00 0.00 56.30 55.50 1oat h ASN 118 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.54 1oat h ASN 118 CO 0.73 0.03 -1.68 0.58 -0.00 0.00 0.00 177.43 177.09 1oat h VAL 119 N 0.00 0.95 -0.68 6.14 2.07 -1.97 -3.40 116.25 119.37 1oat h VAL 119 Ca 0.00 -2.68 0.09 0.00 0.82 0.00 0.00 66.70 64.93 1oat h VAL 119 Cb 0.80 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 33.11 1oat h VAL 119 CO 0.00 0.75 0.33 0.25 0.02 0.00 0.00 177.57 178.92 1oat h LEU 120 N 0.05 0.42 -0.92 2.57 5.85 -1.85 -2.71 115.31 118.72 1oat h LEU 120 Ca -0.29 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1oat h LEU 120 Cb 2.01 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.98 1oat h LEU 120 CO 0.12 0.25 0.60 1.23 -0.34 0.00 0.00 178.44 180.30 1oat h GLY 121 N 0.57 1.32 0.88 3.75 0.00 -1.84 -0.53 103.07 107.22 1oat h GLY 121 Ca 0.33 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1oat h GLY 121 CO -0.26 0.42 0.06 0.83 0.00 0.00 0.00 176.54 177.59 1oat h GLU 122 N 1.20 0.23 -0.52 4.80 5.08 -1.70 -1.32 114.58 122.35 1oat h GLU 122 Ca 0.35 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1oat h GLU 122 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1oat h GLU 122 CO -0.10 0.32 0.24 -0.92 -1.00 0.00 0.00 179.01 177.54 1oat h TYR 123 N 0.10 0.76 -0.72 4.33 3.20 -1.18 -1.38 116.97 122.09 1oat h TYR 123 Ca 0.05 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1oat h TYR 123 Cb 0.17 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1oat h TYR 123 CO -0.01 0.61 0.42 0.93 -1.64 0.00 0.00 178.16 178.46 1oat h GLU 124 N 0.69 0.99 -0.58 1.82 5.08 -1.01 0.31 114.58 121.87 1oat h GLU 124 Ca 0.18 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1oat h GLU 124 Cb 0.14 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1oat h GLU 124 CO -0.02 0.71 -0.02 1.49 -1.00 0.00 0.00 179.01 180.17 1oat h GLU 125 N 0.98 1.05 -0.04 2.33 4.81 -1.10 -2.30 114.58 120.31 1oat h GLU 125 Ca 0.26 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1oat h GLU 125 Cb -0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1oat h GLU 125 CO -0.05 1.04 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.35 1oat h TYR 126 N 0.94 0.08 -0.33 0.92 3.20 -0.90 -2.87 116.97 118.00 1oat h TYR 126 Ca 0.16 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 1oat h TYR 126 Cb 0.58 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1oat h TYR 126 CO 0.04 0.39 -0.34 0.97 -1.64 0.00 0.00 178.16 177.58 1oat h ILE 127 N -0.26 1.28 -0.46 1.81 2.10 -0.94 -1.91 117.51 119.14 1oat h ILE 127 Ca 0.01 -1.50 -0.05 0.00 1.08 0.00 0.00 64.86 64.40 1oat h ILE 127 Cb 0.37 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 1oat h ILE 127 CO 0.00 0.49 0.10 0.71 -1.08 0.00 0.00 178.15 178.37 1oat h THR 128 N 0.63 1.24 -0.12 2.19 1.35 -1.49 -2.38 112.91 114.33 1oat h THR 128 Ca 0.06 -0.86 -0.13 0.00 -0.55 0.00 0.00 66.41 64.94 1oat h THR 128 Cb 0.88 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1oat h THR 128 CO 0.08 0.30 -0.48 0.11 -0.25 0.00 0.00 175.52 175.28 1oat h LYS 129 N 0.62 0.31 -0.69 4.72 1.57 -1.48 0.39 116.57 122.01 1oat h LYS 129 Ca 0.14 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1oat h LYS 129 Cb 0.35 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1oat h LYS 129 CO 0.00 0.73 0.16 1.25 -0.57 0.00 0.00 179.45 181.02 1oat h LEU 130 N 0.24 1.04 0.00 2.94 6.46 -1.16 -3.23 115.31 121.61 1oat h LEU 130 Ca 0.01 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1oat h LEU 130 Cb 0.94 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1oat h LEU 130 CO 0.08 1.00 -1.12 0.49 -0.62 0.00 0.00 178.44 178.27 1oat n PHE 131 N -4.23 0.00 -2.33 1.25 3.72 -0.91 -5.04 117.46 109.92 1oat n PHE 131 Ca 0.05 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 1oat n PHE 131 Cb 0.26 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1oat n PHE 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1oat n ASN 132 N -1.60 -2.85 -4.14 4.37 2.85 0.13 -5.08 115.26 108.94 1oat n ASN 132 Ca 0.02 -0.24 -0.14 0.00 -0.11 0.00 0.00 54.58 54.11 1oat n ASN 132 Cb 0.35 -2.19 -0.11 0.00 1.24 0.00 0.00 39.78 39.07 1oat n ASN 132 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1oat s TYR 133 N -3.14 0.94 0.10 1.20 2.02 -0.76 -5.03 117.35 112.68 1oat s TYR 133 Ca 0.08 -0.61 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 1oat s TYR 133 Cb -0.01 -0.53 -0.08 0.00 -0.40 0.00 0.00 41.96 40.94 1oat s TYR 133 CO 0.27 -0.03 1.66 0.45 -1.57 0.00 0.00 175.55 176.32 1oat h HIS 134 N 3.88 0.31 -4.09 2.71 3.86 -1.86 -3.41 115.15 116.55 1oat h HIS 134 Ca -0.37 -0.02 -0.28 0.00 -1.16 0.00 0.00 60.37 58.55 1oat h HIS 134 Cb 1.19 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 29.42 1oat h HIS 134 CO 0.63 0.33 -0.63 0.15 0.86 0.00 0.00 177.93 179.27 1oat s LYS 135 N -5.66 1.19 -0.00 2.45 1.02 -0.75 -4.94 119.74 113.05 1oat s LYS 135 Ca -0.13 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 54.27 1oat s LYS 135 Cb 0.08 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.34 1oat s LYS 135 CO 0.71 -0.27 -0.08 0.54 -0.92 0.00 0.00 175.35 175.33 1oat s VAL 136 N -3.88 0.64 -0.26 3.17 0.11 -1.26 -2.22 120.40 116.70 1oat s VAL 136 Ca 0.32 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1oat s VAL 136 Cb 0.07 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1oat s VAL 136 CO 0.08 0.14 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.71 1oat s LEU 137 N -0.31 3.40 0.01 2.54 1.98 -0.43 -4.98 118.68 120.89 1oat s LEU 137 Ca 0.02 -1.08 -0.26 0.00 -2.89 0.00 0.00 54.13 49.92 1oat s LEU 137 Cb -0.04 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.12 1oat s LEU 137 CO -0.00 -0.17 0.83 -2.16 -1.89 0.00 0.00 176.35 172.95 1oat s PRO 138 N 1.26 4.52 0.09 0.98 0.04 -1.26 -1.92 135.00 138.70 1oat s PRO 138 Ca -0.03 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.18 1oat s PRO 138 Cb -0.18 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 1oat s PRO 138 CO -0.04 0.13 0.04 -1.33 0.04 0.00 0.00 177.00 175.84 1oat n MET 139 N 3.36 0.64 -0.05 4.56 2.81 -0.78 -4.34 117.12 123.32 1oat n MET 139 Ca 0.01 -0.77 -0.10 0.00 -1.81 0.00 0.00 57.70 55.03 1oat n MET 139 Cb 0.51 0.48 -0.03 0.00 -0.71 0.00 0.00 33.22 33.46 1oat n MET 139 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1oat n ASN 140 N -2.16 1.50 -4.91 7.83 3.02 -1.26 -1.74 115.26 117.55 1oat n ASN 140 Ca -0.00 0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 1oat n ASN 140 Cb 0.14 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 1oat n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1oat s THR 141 N -2.49 3.36 0.15 3.41 -4.23 -1.26 -1.69 115.64 112.89 1oat s THR 141 Ca -0.20 -1.24 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1oat s THR 141 Cb 0.05 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.73 1oat s THR 141 CO 0.28 -0.11 1.78 1.23 -0.54 0.00 0.00 174.62 177.26 1oat h GLY 142 N 1.04 0.48 1.02 3.99 0.00 -1.91 -2.81 103.07 104.88 1oat h GLY 142 Ca -0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1oat h GLY 142 CO 0.55 0.10 0.55 -0.39 0.00 0.00 0.00 176.54 177.35 1oat h VAL 143 N 0.37 1.25 -0.58 4.60 -1.51 -1.97 -1.77 116.25 116.64 1oat h VAL 143 Ca 0.15 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.15 1oat h VAL 143 Cb 0.05 -0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.14 1oat h VAL 143 CO -0.10 0.27 0.39 -0.33 -1.23 0.00 0.00 177.57 176.57 1oat h GLU 144 N 1.27 0.38 -0.16 5.19 5.08 -1.84 0.17 114.58 124.66 1oat h GLU 144 Ca 0.33 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1oat h GLU 144 Cb -0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1oat h GLU 144 CO -0.06 0.25 -0.35 0.00 -1.00 0.00 0.00 179.01 177.84 1oat h ALA 145 N 1.71 0.26 -0.86 3.43 0.00 -1.17 -2.35 119.26 120.26 1oat h ALA 145 Ca 0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1oat h ALA 145 Cb 0.54 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1oat h ALA 145 CO -0.07 0.32 0.51 0.78 0.00 0.00 0.00 179.25 180.79 1oat h GLY 146 N 0.15 1.27 0.96 0.00 0.00 -0.59 -1.76 103.07 103.10 1oat h GLY 146 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1oat h GLY 146 CO 0.08 0.52 0.10 0.83 0.00 0.00 0.00 176.54 178.07 1oat h GLU 147 N 1.19 0.73 -0.58 4.80 4.39 -0.71 -1.94 114.58 122.47 1oat h GLU 147 Ca 0.31 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.86 1oat h GLU 147 Cb -0.03 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 1oat h GLU 147 CO -0.06 0.73 0.35 1.15 -1.16 0.00 0.00 179.01 180.02 1oat h THR 148 N 0.60 1.06 -0.58 1.13 2.02 -1.24 -0.65 112.91 115.25 1oat h THR 148 Ca 0.14 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1oat h THR 148 Cb 0.33 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1oat h THR 148 CO 0.00 0.13 0.19 0.00 0.37 0.00 0.00 175.52 176.21 1oat h ALA 149 N 1.26 0.76 -0.74 6.16 0.00 -1.20 0.67 119.26 126.16 1oat h ALA 149 Ca 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1oat h ALA 149 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1oat h ALA 149 CO -0.10 0.41 0.36 0.00 0.00 0.00 0.00 179.25 179.93 1oat h LYS 151 N 1.04 0.94 -0.19 0.00 1.57 -0.52 -0.95 116.57 118.46 1oat h LYS 151 Ca 0.26 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1oat h LYS 151 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1oat h LYS 151 CO -0.03 0.92 0.03 1.25 -0.57 0.00 0.00 179.45 181.04 1oat h LEU 152 N 0.87 0.31 -0.46 2.94 5.85 -0.59 -1.34 115.31 122.89 1oat h LEU 152 Ca 0.17 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1oat h LEU 152 Cb 0.48 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1oat h LEU 152 CO 0.02 0.49 0.18 0.00 -0.34 0.00 0.00 178.44 178.80 1oat h ALA 153 N 0.83 0.60 -0.32 1.25 0.00 -0.80 -0.65 119.26 120.16 1oat h ALA 153 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1oat h ALA 153 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1oat h ALA 153 CO 0.00 0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.54 1oat h ARG 154 N 0.60 0.51 -0.79 0.00 3.08 -1.11 0.11 114.38 116.79 1oat h ARG 154 Ca 0.15 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1oat h ARG 154 Cb 0.19 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1oat h ARG 154 CO -0.01 0.56 0.34 -0.22 -1.07 0.00 0.00 179.97 179.57 1oat h LYS 155 N 0.37 1.16 -0.39 0.04 1.63 -1.13 -1.25 116.57 116.99 1oat h LYS 155 Ca 0.10 -0.19 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 1oat h LYS 155 Cb 0.27 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1oat h LYS 155 CO -0.00 0.92 -0.31 2.35 -3.45 0.00 0.00 179.45 178.96 1oat h TRP 156 N 1.13 1.06 -0.45 1.91 7.01 -1.04 -1.25 115.95 124.31 1oat h TRP 156 Ca 0.27 -0.30 0.08 0.00 2.11 0.00 0.00 58.89 61.05 1oat h TRP 156 Cb 0.17 -0.23 -0.07 0.00 -2.10 0.00 0.00 29.16 26.93 1oat h TRP 156 CO 0.02 1.11 0.03 0.78 -2.79 0.00 0.00 178.44 177.58 1oat h GLY 157 N 0.71 0.49 0.97 2.65 0.00 0.04 -0.16 103.07 107.78 1oat h GLY 157 Ca 0.07 0.03 -0.21 0.00 0.00 0.00 0.00 47.33 47.22 1oat h GLY 157 CO 0.08 -0.10 -0.84 -0.97 0.00 0.00 0.00 176.54 174.71 1oat h TYR 158 N 0.14 0.80 0.00 5.60 0.05 -1.19 -0.88 116.97 121.50 1oat h TYR 158 Ca 0.23 -0.45 -0.19 0.00 0.05 0.00 0.00 58.73 58.36 1oat h TYR 158 Cb 0.32 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1oat h TYR 158 CO -0.27 1.29 -1.12 1.79 -1.05 0.00 0.00 178.16 178.79 1oat h THR 159 N 0.09 1.01 0.00 -2.88 1.35 -1.15 -3.28 112.91 108.05 1oat h THR 159 Ca -0.11 -2.61 -0.14 0.00 -0.55 0.00 0.00 66.41 63.00 1oat h THR 159 Cb 1.54 2.45 -0.02 0.00 -1.73 0.00 0.00 68.15 70.38 1oat h THR 159 CO 0.16 0.58 -1.26 0.52 -0.25 0.00 0.00 175.52 175.27 1oat n VAL 160 N -3.14 0.93 0.20 6.82 0.31 -0.12 -4.69 118.33 118.65 1oat n VAL 160 Ca -0.05 -0.01 0.07 0.00 -0.01 0.00 0.00 64.34 64.33 1oat n VAL 160 Cb 0.89 -1.77 0.35 0.00 -0.91 0.00 0.00 33.84 32.40 1oat n VAL 160 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1oat h LYS 161 N -0.45 0.00 0.00 5.55 3.64 -1.40 -3.48 116.57 120.43 1oat h LYS 161 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1oat h LYS 161 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1oat h LYS 161 CO -0.13 0.33 0.00 0.41 -2.27 0.00 0.00 179.45 177.79 1oat n GLY 162 N 0.28 0.60 3.76 5.01 0.00 -0.41 -5.00 105.19 109.44 1oat n GLY 162 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1oat n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oat s ILE 163 N -2.00 3.27 0.34 -0.61 1.01 -0.75 -4.97 121.20 117.50 1oat s ILE 163 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 1oat s ILE 163 Cb 0.00 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 1oat s ILE 163 CO 0.00 0.30 1.42 -1.58 0.00 0.00 0.00 174.94 175.08 1oat s GLN 164 N -1.58 4.22 -0.41 2.79 0.74 -1.26 -4.45 119.66 119.71 1oat s GLN 164 Ca 0.46 2.41 -0.37 0.00 0.05 0.00 0.00 55.36 57.92 1oat s GLN 164 Cb -0.34 -3.03 -0.13 0.00 1.10 0.00 0.00 33.01 30.61 1oat s GLN 164 CO 0.44 -0.40 2.21 1.17 -0.55 0.00 0.00 175.29 178.15 1oat n LYS 165 N 0.92 0.80 -1.35 1.67 3.00 -1.26 -1.54 118.16 120.41 1oat n LYS 165 Ca 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1oat n LYS 165 Cb 0.40 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.19 1oat n LYS 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1oat n TYR 166 N 9.56 0.00 0.45 5.64 4.01 -1.26 -4.96 117.16 130.60 1oat n TYR 166 Ca 0.45 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.24 1oat n TYR 166 Cb 0.17 -0.68 0.03 0.00 -0.31 0.00 0.00 39.34 38.56 1oat n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1oat n LYS 167 N -1.64 1.04 -1.97 -0.72 5.02 -0.59 -5.01 118.16 114.30 1oat n LYS 167 Ca 0.00 -0.97 -0.41 0.00 -2.02 0.00 0.00 58.31 54.92 1oat n LYS 167 Cb 0.27 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1oat n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oat s ALA 168 N -1.07 3.53 0.15 7.82 0.00 -1.26 -4.83 121.76 126.10 1oat s ALA 168 Ca 0.11 1.41 0.10 0.00 0.00 0.00 0.00 51.96 53.58 1oat s ALA 168 Cb 0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1oat s ALA 168 CO 0.18 -0.84 -0.22 0.15 0.00 0.00 0.00 175.76 175.03 1oat s LYS 169 N -1.94 1.31 -0.05 0.00 1.02 0.39 -4.72 119.74 115.74 1oat s LYS 169 Ca 0.51 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 55.17 1oat s LYS 169 Cb -0.43 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1oat s LYS 169 CO 0.58 0.35 -0.12 0.42 -0.92 0.00 0.00 175.35 175.65 1oat s ILE 170 N -1.53 1.08 -0.08 2.17 1.01 -0.47 -0.06 121.20 123.33 1oat s ILE 170 Ca 0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1oat s ILE 170 Cb -0.08 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1oat s ILE 170 CO 0.07 0.34 0.23 -0.69 0.00 0.00 0.00 174.94 174.89 1oat s VAL 171 N 0.48 5.34 0.24 2.92 1.01 -0.67 -0.78 120.40 128.94 1oat s VAL 171 Ca -0.10 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1oat s VAL 171 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1oat s VAL 171 CO 0.03 0.60 -0.03 -0.36 0.00 0.00 0.00 175.10 175.33 1oat s PHE 172 N -0.98 1.69 -0.07 5.22 0.40 0.14 -1.23 117.98 123.14 1oat s PHE 172 Ca 0.18 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1oat s PHE 172 Cb -0.14 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1oat s PHE 172 CO 0.07 0.09 -0.06 0.00 0.70 0.00 0.00 175.22 176.03 1oat s ALA 173 N -3.26 3.04 0.38 5.36 0.00 -1.26 -1.23 121.76 124.79 1oat s ALA 173 Ca 0.28 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 1oat s ALA 173 Cb 0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 23.12 21.77 1oat s ALA 173 CO 0.09 0.57 1.12 0.00 0.00 0.00 0.00 175.76 177.54 1oat n ALA 174 N 2.25 0.58 -0.11 0.00 0.00 -0.01 -1.66 120.51 121.55 1oat n ALA 174 Ca -0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1oat n ALA 174 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1oat n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oat n GLY 175 N 1.02 1.23 3.74 0.00 0.00 -1.26 -4.39 105.19 105.54 1oat n GLY 175 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1oat n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s ASN 176 N -2.94 4.83 -0.11 1.61 4.22 -0.67 -4.32 114.94 117.57 1oat s ASN 176 Ca 0.00 2.37 -0.04 0.00 -2.14 0.00 0.00 52.86 53.05 1oat s ASN 176 Cb 0.00 -2.59 0.05 0.00 1.28 0.00 0.00 41.25 39.99 1oat s ASN 176 CO 0.00 -1.84 0.23 0.12 -2.04 0.00 0.00 177.10 173.57 1oat s PHE 177 N -1.75 -0.32 -0.00 1.54 5.36 -1.26 -4.73 117.98 116.81 1oat s PHE 177 Ca 0.76 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1oat s PHE 177 Cb -0.30 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.31 1oat s PHE 177 CO 0.38 -0.29 0.88 -2.67 -1.46 0.00 0.00 175.22 172.05 1oat n TRP 178 N 5.00 0.00 0.00 10.12 4.27 -1.26 -5.01 117.44 130.56 1oat n TRP 178 Ca -0.12 -0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 1oat n TRP 178 Cb 0.51 -0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.42 1oat n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1oat n GLY 179 N -0.00 0.93 0.04 -1.67 0.00 -1.26 -3.98 105.19 99.25 1oat n GLY 179 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.07 1oat n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat n ARG 180 N -0.89 2.17 -1.32 1.61 5.12 -1.26 -4.35 116.66 117.75 1oat n ARG 180 Ca 0.00 -1.94 -0.29 0.00 -1.93 0.00 0.00 57.85 53.69 1oat n ARG 180 Cb 0.00 -1.20 0.15 0.00 -1.16 0.00 0.00 32.46 30.25 1oat n ARG 180 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1oat s THR 181 N -1.77 2.19 0.45 0.55 -4.23 -1.26 -4.78 115.64 106.79 1oat s THR 181 Ca 0.14 0.06 0.15 0.00 -1.18 0.00 0.00 61.69 60.85 1oat s THR 181 Cb 0.12 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.63 1oat s THR 181 CO 0.01 -0.08 2.02 -0.07 -0.54 0.00 0.00 174.62 175.96 1oat h LEU 182 N -1.68 0.29 -0.02 4.79 4.07 -1.97 -1.88 115.31 118.91 1oat h LEU 182 Ca -0.52 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.19 1oat h LEU 182 Cb 1.32 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 43.02 1oat h LEU 182 CO 0.59 0.18 -0.98 0.28 -1.08 0.00 0.00 178.44 177.42 1oat h SER 183 N 0.32 0.90 -0.24 -0.43 0.02 -1.98 -3.06 113.55 109.09 1oat h SER 183 Ca 0.22 -0.72 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 1oat h SER 183 Cb 0.43 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1oat h SER 183 CO -0.05 1.51 -0.20 0.00 -1.14 0.00 0.00 176.83 176.95 1oat h ALA 184 N 0.42 0.98 0.00 3.77 0.00 -1.75 -2.42 119.26 120.25 1oat h ALA 184 Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1oat h ALA 184 Cb 1.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1oat h ALA 184 CO 0.19 0.60 0.00 0.44 0.00 0.00 0.00 179.25 180.48 1oat n ILE 185 N -4.13 0.36 0.46 0.00 -5.35 -0.75 -3.07 119.36 106.89 1oat n ILE 185 Ca 0.00 -0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.51 1oat n ILE 185 Cb 0.40 -0.60 0.45 0.00 -1.74 0.00 0.00 39.64 38.15 1oat n ILE 185 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1oat h SER 186 N 0.00 0.00 -0.20 7.28 0.02 -1.32 -2.86 113.55 116.47 1oat h SER 186 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1oat h SER 186 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1oat h SER 186 CO 0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1oat n SER 187 N -2.41 2.71 -4.79 3.07 3.41 -1.17 -4.88 113.62 109.56 1oat n SER 187 Ca 0.04 -1.79 -0.36 0.00 -0.26 0.00 0.00 58.87 56.49 1oat n SER 187 Cb 0.34 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1oat n SER 187 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1oat s SER 188 N -1.23 7.25 0.00 4.04 0.15 -1.08 -4.84 113.70 117.99 1oat s SER 188 Ca 0.24 1.75 0.14 0.00 0.70 0.00 0.00 55.95 58.78 1oat s SER 188 Cb 0.15 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 62.22 1oat s SER 188 CO 0.21 -0.08 1.21 0.35 1.20 0.00 0.00 173.24 176.13 1oat n THR 189 N 0.46 0.67 -3.31 6.45 -2.24 -1.26 -4.89 114.28 110.16 1oat n THR 189 Ca 0.02 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1oat n THR 189 Cb 0.51 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1oat n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oat s ASP 190 N -1.07 6.19 0.42 3.42 -1.08 -1.26 -4.95 116.67 118.35 1oat s ASP 190 Ca 0.26 -0.75 0.18 0.00 -0.52 0.00 0.00 52.55 51.71 1oat s ASP 190 Cb 0.14 -2.23 1.09 0.00 -1.46 0.00 0.00 42.92 40.47 1oat s ASP 190 CO 0.20 -0.62 1.86 -0.65 0.52 0.00 0.00 175.17 176.48 1oat h PRO 191 N 8.76 0.38 0.00 4.34 0.11 -1.99 -0.38 132.00 143.22 1oat h PRO 191 Ca -0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1oat h PRO 191 Cb 1.11 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1oat h PRO 191 CO 0.82 0.25 -0.00 1.15 -0.21 0.00 0.00 178.00 180.01 1oat h THR 192 N 0.39 0.97 0.04 -1.15 2.02 -1.93 -0.51 112.91 112.74 1oat h THR 192 Ca 0.46 -0.02 -0.26 0.00 0.77 0.00 0.00 66.41 67.37 1oat h THR 192 Cb 1.16 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1oat h THR 192 CO -0.17 0.00 -1.29 0.28 0.37 0.00 0.00 175.52 174.72 1oat h SER 193 N 0.00 0.15 0.00 4.18 0.02 -1.46 -3.42 113.55 113.02 1oat h SER 193 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1oat h SER 193 Cb 0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1oat h SER 193 CO 0.00 1.15 -1.07 0.00 -1.14 0.00 0.00 176.83 175.77 1oat n TYR 194 N -3.34 0.00 -1.68 3.45 0.18 -1.02 -4.88 117.16 109.87 1oat n TYR 194 Ca -0.08 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.27 1oat n TYR 194 Cb 1.00 -0.07 -0.03 0.00 -0.38 0.00 0.00 39.34 39.86 1oat n TYR 194 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1oat n ASP 195 N -1.57 4.04 0.00 9.48 2.03 -0.23 -1.42 116.55 128.88 1oat n ASP 195 Ca -0.01 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1oat n ASP 195 Cb 0.08 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 1oat n ASP 195 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oat n GLY 196 N 4.31 0.76 2.84 0.27 0.00 -1.26 -4.98 105.19 107.13 1oat n GLY 196 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1oat n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1oat n PHE 197 N -2.25 2.97 -2.54 1.61 3.72 -0.51 -5.04 117.46 115.43 1oat n PHE 197 Ca 0.00 -2.43 0.04 0.00 -0.05 0.00 0.00 57.45 55.01 1oat n PHE 197 Cb 0.00 -1.14 -0.01 0.00 -0.94 0.00 0.00 39.48 37.39 1oat n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oat n GLY 198 N -0.43 -0.79 3.76 1.37 0.00 -1.26 -4.79 105.19 103.05 1oat n GLY 198 Ca 0.52 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1oat n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oat s PRO 199 N -0.56 3.16 0.35 1.61 0.04 -1.26 -5.03 135.00 133.31 1oat s PRO 199 Ca 0.00 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1oat s PRO 199 Cb 0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1oat s PRO 199 CO 0.00 -1.04 0.56 -0.06 0.04 0.00 0.00 177.00 176.50 1oat s PHE 200 N -1.65 3.50 -0.13 0.56 0.08 -1.26 -5.05 117.98 114.04 1oat s PHE 200 Ca 0.75 0.41 -0.29 0.00 0.12 0.00 0.00 56.93 57.91 1oat s PHE 200 Cb -0.28 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1oat s PHE 200 CO 0.31 0.10 1.67 1.41 -0.10 0.00 0.00 175.22 178.60 1oat s MET 201 N -4.27 3.98 0.88 0.44 -2.45 -1.26 -5.01 119.30 111.60 1oat s MET 201 Ca 0.41 1.97 -0.12 0.00 -1.25 0.00 0.00 55.69 56.70 1oat s MET 201 Cb -0.10 -4.02 0.12 0.00 1.25 0.00 0.00 34.83 32.08 1oat s MET 201 CO 0.36 -1.08 1.10 -1.25 1.05 0.00 0.00 175.02 175.20 1oat s PRO 202 N 4.40 1.42 0.00 4.11 0.04 -1.26 -4.22 135.00 139.49 1oat s PRO 202 Ca 0.74 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1oat s PRO 202 Cb -0.30 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1oat s PRO 202 CO 0.30 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.66 1oat n GLY 203 N -1.55 0.73 3.29 0.56 0.00 -1.26 -5.03 105.19 101.93 1oat n GLY 203 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1oat n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oat s PHE 204 N -2.46 3.28 0.18 1.61 0.08 -1.26 -1.37 117.98 118.05 1oat s PHE 204 Ca 0.00 -1.39 -0.01 0.00 0.12 0.00 0.00 56.93 55.65 1oat s PHE 204 Cb 0.00 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 1oat s PHE 204 CO 0.00 -0.74 0.37 -0.51 -0.10 0.00 0.00 175.22 174.24 1oat s ASP 205 N 1.56 6.39 -0.06 1.36 1.01 0.04 -4.98 116.67 121.99 1oat s ASP 205 Ca 0.00 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.68 1oat s ASP 205 Cb -0.20 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.74 1oat s ASP 205 CO 0.03 -0.02 -0.09 -0.63 0.21 0.00 0.00 175.17 174.67 1oat s ILE 206 N -1.82 0.94 0.25 0.77 1.01 -1.26 0.26 121.20 121.35 1oat s ILE 206 Ca 0.38 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1oat s ILE 206 Cb -0.11 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1oat s ILE 206 CO 0.28 0.31 -0.03 0.27 0.00 0.00 0.00 174.94 175.78 1oat s ILE 207 N 0.81 1.31 0.74 2.92 -4.36 -0.36 -4.94 121.20 117.32 1oat s ILE 207 Ca -0.12 -2.07 -0.13 0.00 -0.26 0.00 0.00 60.65 58.06 1oat s ILE 207 Cb -0.15 -2.39 0.05 0.00 1.25 0.00 0.00 42.46 41.22 1oat s ILE 207 CO 0.02 -0.32 1.14 -2.84 0.24 0.00 0.00 174.94 173.18 1oat s PRO 208 N -3.80 2.21 0.55 0.37 0.02 -1.26 -0.83 135.00 132.26 1oat s PRO 208 Ca 0.29 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.71 1oat s PRO 208 Cb 0.05 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 1oat s PRO 208 CO 0.10 -1.72 0.92 -0.47 -0.33 0.00 0.00 177.00 175.49 1oat s TYR 209 N -2.38 3.59 -1.46 6.54 5.04 -1.26 -4.21 117.35 123.21 1oat s TYR 209 Ca 0.68 1.09 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 1oat s TYR 209 Cb -0.23 -2.54 0.05 0.00 0.35 0.00 0.00 41.96 39.59 1oat s TYR 209 CO 0.48 -0.49 0.70 -1.71 -1.34 0.00 0.00 175.55 173.20 1oat n ASN 210 N -2.45 -2.21 -3.44 4.32 5.15 -1.26 -4.95 115.26 110.43 1oat n ASN 210 Ca 0.04 -0.90 -0.20 0.00 -0.60 0.00 0.00 54.58 52.92 1oat n ASN 210 Cb 0.54 -3.50 -0.11 0.00 -0.53 0.00 0.00 39.78 36.19 1oat n ASN 210 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1oat s ASP 211 N -3.92 2.16 0.01 1.20 -1.08 -1.26 -4.91 116.67 108.87 1oat s ASP 211 Ca 0.30 -0.88 -0.23 0.00 -0.52 0.00 0.00 52.55 51.22 1oat s ASP 211 Cb -0.15 0.28 -0.17 0.00 -1.46 0.00 0.00 42.92 41.42 1oat s ASP 211 CO 0.86 -0.40 1.33 -0.07 0.52 0.00 0.00 175.17 177.41 1oat h LEU 212 N 8.30 0.20 -1.24 -1.34 4.07 -1.92 -3.02 115.31 120.36 1oat h LEU 212 Ca -0.15 -0.46 0.15 0.00 0.08 0.00 0.00 57.88 57.50 1oat h LEU 212 Cb 1.06 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.67 1oat h LEU 212 CO 0.36 0.62 0.59 -0.65 -1.08 0.00 0.00 178.44 178.28 1oat h PRO 213 N -0.22 0.69 -0.60 1.13 0.11 -1.99 0.17 132.00 131.30 1oat h PRO 213 Ca 0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1oat h PRO 213 Cb 0.56 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1oat h PRO 213 CO 0.02 0.46 0.09 0.00 -0.21 0.00 0.00 178.00 178.36 1oat h ALA 214 N 1.60 0.80 -0.06 -0.75 0.00 -1.95 -1.66 119.26 117.23 1oat h ALA 214 Ca 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1oat h ALA 214 Cb 0.75 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1oat h ALA 214 CO -0.23 0.56 0.01 1.25 0.00 0.00 0.00 179.25 180.84 1oat h LEU 215 N 0.90 0.09 -0.91 0.00 6.46 -1.18 -2.01 115.31 118.66 1oat h LEU 215 Ca 0.18 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1oat h LEU 215 Cb 0.43 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1oat h LEU 215 CO 0.01 0.32 0.58 -0.08 -0.62 0.00 0.00 178.44 178.65 1oat h GLU 216 N -0.15 1.05 -0.50 1.25 4.81 -0.86 -0.25 114.58 119.94 1oat h GLU 216 Ca 0.02 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1oat h GLU 216 Cb 0.27 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1oat h GLU 216 CO 0.00 0.70 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.89 1oat h ARG 217 N 1.08 0.88 -0.24 1.92 2.43 -1.26 -3.05 114.38 116.15 1oat h ARG 217 Ca 0.39 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1oat h ARG 217 Cb 0.11 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1oat h ARG 217 CO -0.15 0.92 -0.35 0.00 -1.51 0.00 0.00 179.97 178.88 1oat h ALA 218 N 0.93 0.96 0.00 2.80 0.00 -0.71 -3.03 119.26 120.21 1oat h ALA 218 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1oat h ALA 218 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oat h ALA 218 CO 0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1oat n LEU 219 N -4.06 0.00 0.23 0.00 4.77 -0.16 -3.17 117.00 114.60 1oat n LEU 219 Ca -0.01 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 1oat n LEU 219 Cb 0.47 -0.12 0.55 0.00 -2.33 0.00 0.00 43.42 41.99 1oat n LEU 219 CO 0.44 -0.03 0.87 1.56 -1.33 0.00 0.00 177.39 178.89 1oat h GLN 220 N 0.00 0.00 -6.36 3.23 1.08 -1.53 -3.41 115.11 108.11 1oat h GLN 220 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1oat h GLN 220 Cb 0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 1oat h GLN 220 CO 0.00 0.22 0.95 0.34 -0.95 0.00 0.00 178.83 179.39 1oat s ASP 221 N -6.57 6.71 0.00 1.46 -1.08 -1.19 -4.91 116.67 111.09 1oat s ASP 221 Ca -0.03 1.15 0.06 0.00 -0.52 0.00 0.00 52.55 53.21 1oat s ASP 221 Cb 0.14 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.32 1oat s ASP 221 CO 0.66 -1.06 1.16 -0.81 0.52 0.00 0.00 175.17 175.64 1oat n PRO 222 N 7.27 0.02 0.00 4.34 -0.04 -1.26 -2.14 135.00 143.19 1oat n PRO 222 Ca 0.14 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 1oat n PRO 222 Cb 0.47 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.05 1oat n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oat n ASN 223 N -1.45 1.15 -4.70 3.54 3.02 -1.26 -4.84 115.26 110.72 1oat n ASN 223 Ca 0.02 -1.38 -0.42 0.00 -0.03 0.00 0.00 54.58 52.77 1oat n ASN 223 Cb 0.07 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1oat n ASN 223 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oat s VAL 224 N -2.01 4.62 -0.12 2.41 1.01 -0.91 -0.46 120.40 124.94 1oat s VAL 224 Ca 0.40 1.89 0.18 0.00 0.00 0.00 0.00 61.98 64.45 1oat s VAL 224 Cb 0.21 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 32.12 1oat s VAL 224 CO 0.35 0.08 0.22 0.00 0.00 0.00 0.00 175.10 175.74 1oat n ALA 225 N 4.44 2.03 -3.45 5.51 0.00 0.92 -4.80 120.51 125.15 1oat n ALA 225 Ca 0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1oat n ALA 225 Cb 0.49 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1oat n ALA 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oat s ALA 226 N -2.83 -1.67 -0.12 0.00 0.00 -1.23 -1.54 121.76 114.37 1oat s ALA 226 Ca -0.08 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1oat s ALA 226 Cb 0.08 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1oat s ALA 226 CO 0.79 -0.72 -0.15 0.12 0.00 0.00 0.00 175.76 175.80 1oat s PHE 227 N -3.43 2.06 -0.19 0.00 5.36 0.33 -1.67 117.98 120.43 1oat s PHE 227 Ca 0.01 -1.04 -0.06 0.00 -0.96 0.00 0.00 56.93 54.89 1oat s PHE 227 Cb -0.01 -1.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.15 1oat s PHE 227 CO -0.11 -0.55 0.03 1.41 -1.46 0.00 0.00 175.22 174.54 1oat s MET 228 N 1.16 3.77 0.07 10.12 -2.45 -0.36 -1.33 119.30 130.27 1oat s MET 228 Ca -0.03 -0.45 -0.05 0.00 -1.25 0.00 0.00 55.69 53.91 1oat s MET 228 Cb -0.14 -3.13 -0.02 0.00 1.25 0.00 0.00 34.83 32.79 1oat s MET 228 CO -0.05 0.13 0.09 0.14 1.05 0.00 0.00 175.02 176.39 1oat s VAL 229 N 0.71 0.17 -0.21 10.11 -7.23 -0.53 -4.09 120.40 119.32 1oat s VAL 229 Ca 0.01 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 1oat s VAL 229 Cb -0.14 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1oat s VAL 229 CO 0.02 -0.78 0.16 -1.61 -0.31 0.00 0.00 175.10 172.57 1oat s GLU 230 N -3.74 4.15 0.55 4.82 2.02 -1.26 -1.39 118.70 123.85 1oat s GLU 230 Ca 0.05 -0.21 0.23 0.00 0.02 0.00 0.00 54.97 55.05 1oat s GLU 230 Cb 0.05 -3.47 1.48 0.00 0.10 0.00 0.00 34.13 32.30 1oat s GLU 230 CO -0.10 0.20 2.14 -1.35 0.02 0.00 0.00 175.26 176.17 1oat h PRO 231 N 6.99 0.00 -3.30 0.39 0.11 -1.97 -3.39 132.00 130.83 1oat h PRO 231 Ca -0.40 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.47 1oat h PRO 231 Cb 1.16 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 1oat h PRO 231 CO 0.72 0.00 -0.61 0.42 -0.21 0.00 0.00 178.00 178.33 1oat s ILE 232 N -4.89 -0.04 -0.50 4.15 1.01 -1.26 -4.37 121.20 115.29 1oat s ILE 232 Ca -0.05 0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.52 1oat s ILE 232 Cb 0.17 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.45 1oat s ILE 232 CO 0.63 0.07 0.92 -1.10 0.00 0.00 0.00 174.94 175.45 1oat s GLN 233 N 1.04 3.43 -0.01 2.79 -0.21 -0.44 -4.86 119.66 121.39 1oat s GLN 233 Ca -0.08 -0.05 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 1oat s GLN 233 Cb -0.10 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 1oat s GLN 233 CO -0.05 -1.33 0.46 0.78 -2.12 0.00 0.00 175.29 173.03 1oat h GLY 234 N 10.70 -0.18 1.68 3.09 0.00 -1.92 -0.11 103.07 116.33 1oat h GLY 234 Ca -0.25 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1oat h GLY 234 CO 1.05 -0.07 0.13 0.83 0.00 0.00 0.00 176.54 178.48 1oat h GLU 235 N -0.38 0.00 0.00 4.80 4.39 -1.93 0.87 114.58 122.34 1oat h GLU 235 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1oat h GLU 235 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1oat h GLU 235 CO 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1oat h ALA 236 N 1.84 1.00 0.00 3.43 0.00 -1.75 -3.45 119.26 120.33 1oat h ALA 236 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oat h ALA 236 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1oat h ALA 236 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1oat n GLY 237 N -0.07 0.97 3.70 0.00 0.00 0.24 -4.81 105.19 105.21 1oat n GLY 237 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1oat n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oat n VAL 238 N 0.00 -5.24 -3.26 1.61 0.31 -0.59 -4.90 118.33 106.26 1oat n VAL 238 Ca 0.00 -0.57 -0.42 0.00 -0.01 0.00 0.00 64.34 63.34 1oat n VAL 238 Cb 0.00 -3.97 -0.08 0.00 -0.91 0.00 0.00 33.84 28.88 1oat n VAL 238 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oat s VAL 239 N -3.29 5.02 -0.18 2.52 0.11 -0.16 -4.72 120.40 119.70 1oat s VAL 239 Ca 0.30 -0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.13 1oat s VAL 239 Cb -0.12 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 1oat s VAL 239 CO 0.88 -0.37 0.59 -0.69 -3.33 0.00 0.00 175.10 172.18 1oat s VAL 240 N 2.34 5.06 0.76 2.04 1.01 -1.26 -1.33 120.40 129.02 1oat s VAL 240 Ca 0.16 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 1oat s VAL 240 Cb -0.16 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.36 1oat s VAL 240 CO 0.14 0.16 1.10 -2.16 0.00 0.00 0.00 175.10 174.34 1oat s PRO 241 N 1.65 2.40 0.69 2.72 0.04 -1.26 -5.02 135.00 136.21 1oat s PRO 241 Ca 0.28 0.53 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 1oat s PRO 241 Cb -0.16 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1oat s PRO 241 CO 0.11 -1.38 1.18 -0.51 0.04 0.00 0.00 177.00 176.44 1oat s ASP 242 N -4.13 4.60 0.32 6.66 1.01 -1.26 -4.93 116.67 118.94 1oat s ASP 242 Ca 0.60 2.27 -0.29 0.00 0.71 0.00 0.00 52.55 55.84 1oat s ASP 242 Cb -0.13 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 1oat s ASP 242 CO 0.53 -1.99 1.47 -2.84 0.21 0.00 0.00 175.17 172.55 1oat s PRO 243 N -3.85 4.19 0.00 8.23 0.02 -1.26 -2.20 135.00 140.13 1oat s PRO 243 Ca 0.73 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.20 1oat s PRO 243 Cb -0.27 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1oat s PRO 243 CO 0.42 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 1oat n GLY 244 N 1.29 2.52 0.16 0.52 0.00 -1.26 -4.96 105.19 103.46 1oat n GLY 244 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1oat n GLY 244 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1oat h TYR 245 N 0.00 0.28 -0.04 1.61 3.20 -1.80 -0.32 116.97 119.91 1oat h TYR 245 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1oat h TYR 245 Cb 0.00 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1oat h TYR 245 CO 0.00 0.13 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.16 1oat h LEU 246 N 0.33 0.09 -0.18 2.82 3.38 -1.93 -0.88 115.31 118.93 1oat h LEU 246 Ca 0.17 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1oat h LEU 246 Cb 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1oat h LEU 246 CO -0.15 0.51 -0.11 0.24 0.09 0.00 0.00 178.44 179.03 1oat h MET 247 N 0.07 0.39 -0.66 1.13 2.86 -1.80 -2.39 114.93 114.53 1oat h MET 247 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1oat h MET 247 Cb 0.79 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1oat h MET 247 CO 0.06 0.71 0.43 0.78 1.06 0.00 0.00 176.91 179.95 1oat h GLY 248 N 0.07 0.94 1.00 8.32 0.00 -0.60 -1.70 103.07 111.10 1oat h GLY 248 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1oat h GLY 248 CO 0.03 0.36 0.36 -2.08 0.00 0.00 0.00 176.54 175.20 1oat h VAL 249 N 0.90 1.21 -0.26 4.60 2.07 -1.18 -0.53 116.25 123.06 1oat h VAL 249 Ca 0.24 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1oat h VAL 249 Cb -0.08 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1oat h VAL 249 CO -0.05 0.23 0.15 -0.09 0.02 0.00 0.00 177.57 177.83 1oat h ARG 250 N 0.90 0.36 0.01 1.57 9.65 -1.17 -0.22 114.38 125.48 1oat h ARG 250 Ca 0.23 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1oat h ARG 250 Cb 0.05 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1oat h ARG 250 CO -0.04 0.29 -0.00 1.49 2.80 0.00 0.00 179.97 184.51 1oat h GLU 251 N 0.32 -0.01 -0.94 0.20 4.81 -1.02 -1.53 114.58 116.41 1oat h GLU 251 Ca 0.09 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1oat h GLU 251 Cb 0.03 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1oat h GLU 251 CO -0.02 0.19 0.61 -0.07 -0.73 0.00 0.00 179.01 178.99 1oat h LEU 252 N -0.20 1.09 -0.29 1.64 4.07 -1.06 -0.40 115.31 120.16 1oat h LEU 252 Ca -0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 1oat h LEU 252 Cb 0.20 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1oat h LEU 252 CO 0.00 0.80 -0.15 0.00 -1.08 0.00 0.00 178.44 178.01 1oat h THR 254 N 0.36 1.20 -0.86 0.00 2.02 -1.00 -0.36 112.91 114.26 1oat h THR 254 Ca 0.06 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1oat h THR 254 Cb 0.68 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1oat h THR 254 CO 0.05 0.22 0.43 -0.09 0.37 0.00 0.00 175.52 176.50 1oat h ARG 255 N 0.65 1.23 -0.58 6.66 2.43 -1.00 -3.03 114.38 120.75 1oat h ARG 255 Ca 0.17 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1oat h ARG 255 Cb 0.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1oat h ARG 255 CO -0.02 0.94 0.00 0.72 -1.51 0.00 0.00 179.97 180.10 1oat n HIS 256 N -4.31 0.77 -3.45 2.20 8.25 -0.82 -4.97 115.22 112.88 1oat n HIS 256 Ca 0.09 -0.38 -0.18 0.00 -0.26 0.00 0.00 57.72 56.98 1oat n HIS 256 Cb 0.13 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.31 1oat n HIS 256 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1oat n GLN 257 N 1.46 -4.61 -5.10 -0.41 7.27 -0.64 -5.02 117.38 110.34 1oat n GLN 257 Ca 0.22 0.78 -0.30 0.00 0.07 0.00 0.00 57.00 57.77 1oat n GLN 257 Cb 0.58 -5.59 -0.16 0.00 2.41 0.00 0.00 30.24 27.48 1oat n GLN 257 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1oat s VAL 258 N -3.44 1.83 0.16 1.69 1.01 -0.24 -4.91 120.40 116.49 1oat s VAL 258 Ca 0.17 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1oat s VAL 258 Cb -0.03 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 1oat s VAL 258 CO 0.76 0.51 1.24 -0.76 0.00 0.00 0.00 175.10 176.85 1oat s LEU 259 N 0.03 4.42 -0.46 3.92 1.43 -0.59 -4.37 118.68 123.06 1oat s LEU 259 Ca -0.07 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 1oat s LEU 259 Cb -0.14 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.53 1oat s LEU 259 CO 0.04 -0.44 0.46 0.12 0.23 0.00 0.00 176.35 176.76 1oat s PHE 260 N 0.27 3.17 -0.29 0.29 5.36 -1.26 -0.52 117.98 125.01 1oat s PHE 260 Ca 0.56 -0.66 -0.10 0.00 -0.96 0.00 0.00 56.93 55.77 1oat s PHE 260 Cb -0.33 -3.15 -0.03 0.00 -0.34 0.00 0.00 43.02 39.17 1oat s PHE 260 CO 0.35 -0.82 0.16 0.42 -1.46 0.00 0.00 175.22 173.87 1oat s ILE 261 N 2.04 4.95 -0.25 3.12 1.01 -0.45 -0.25 121.20 131.37 1oat s ILE 261 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1oat s ILE 261 Cb -0.21 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1oat s ILE 261 CO 0.10 0.20 0.12 0.00 0.00 0.00 0.00 174.94 175.36 1oat s ALA 262 N 1.70 3.33 -0.59 9.38 0.00 -0.17 -1.46 121.76 133.95 1oat s ALA 262 Ca 0.06 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1oat s ALA 262 Cb -0.16 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 20.81 1oat s ALA 262 CO 0.08 -0.44 0.82 0.34 0.00 0.00 0.00 175.76 176.57 1oat s ASP 263 N 1.53 6.22 -0.27 0.00 -1.08 -0.49 -1.80 116.67 120.79 1oat s ASP 263 Ca 0.06 -0.94 0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1oat s ASP 263 Cb -0.15 -2.37 0.57 0.00 -1.46 0.00 0.00 42.92 39.51 1oat s ASP 263 CO 0.06 -1.19 1.55 -0.62 0.52 0.00 0.00 175.17 175.48 1oat n GLU 264 N 6.99 2.55 0.21 4.34 -0.58 -0.50 -4.31 120.64 129.35 1oat n GLU 264 Ca -0.05 -3.04 0.05 0.00 -0.42 0.00 0.00 57.16 53.70 1oat n GLU 264 Cb 0.45 -1.92 0.47 0.00 -0.57 0.00 0.00 31.44 29.87 1oat n GLU 264 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1oat h ILE 265 N 1.54 1.16 0.00 -3.67 2.04 -1.84 -0.48 117.51 116.26 1oat h ILE 265 Ca 0.19 -0.77 -0.21 0.00 1.00 0.00 0.00 64.86 65.07 1oat h ILE 265 Cb 1.81 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 39.26 1oat h ILE 265 CO 0.45 0.22 -1.79 1.67 0.00 0.00 0.00 178.15 178.70 1oat n GLN 266 N -4.27 0.91 0.13 2.37 7.27 -1.26 -4.16 117.38 118.36 1oat n GLN 266 Ca -0.02 0.06 0.06 0.00 0.07 0.00 0.00 57.00 57.17 1oat n GLN 266 Cb 0.28 -1.28 0.03 0.00 2.41 0.00 0.00 30.24 31.68 1oat n GLN 266 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1oat h THR 267 N 0.00 0.36 -2.88 1.69 1.35 -1.84 -3.47 112.91 108.12 1oat h THR 267 Ca -0.31 -1.57 -0.26 0.00 -0.55 0.00 0.00 66.41 63.72 1oat h THR 267 Cb 1.55 2.00 0.12 0.00 -1.73 0.00 0.00 68.15 70.09 1oat h THR 267 CO -0.03 0.20 0.15 0.61 -0.25 0.00 0.00 175.52 176.21 1oat n GLY 268 N 1.22 -2.11 3.44 5.82 0.00 -0.19 -3.81 105.19 109.56 1oat n GLY 268 Ca -0.01 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1oat n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 269 N 0.00 -4.42 0.00 0.99 4.77 0.31 -3.30 117.00 115.35 1oat n LEU 269 Ca 0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1oat n LEU 269 Cb 0.37 -2.83 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 1oat n LEU 269 CO 0.26 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 1oat n ALA 270 N -3.56 0.00 -0.32 -1.18 0.00 -0.71 -4.85 120.51 109.89 1oat n ALA 270 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1oat n ALA 270 Cb 0.60 -0.24 0.28 0.00 0.00 0.00 0.00 19.45 20.09 1oat n ALA 270 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1oat h ARG 271 N 0.79 0.65 -0.01 0.00 9.65 -1.72 -1.94 114.38 121.80 1oat h ARG 271 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1oat h ARG 271 Cb 0.00 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 1oat h ARG 271 CO 0.00 0.43 -0.42 0.25 2.80 0.00 0.00 179.97 183.03 1oat n THR 272 N -4.84 0.00 0.00 0.20 -2.24 -1.25 -0.48 114.28 105.68 1oat n THR 272 Ca 0.21 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1oat n THR 272 Cb 0.52 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1oat n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oat n GLY 273 N 1.39 1.02 3.19 3.38 0.00 -0.73 -2.52 105.19 110.92 1oat n GLY 273 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1oat n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oat s ARG 274 N -0.18 1.03 0.29 1.61 1.81 -1.26 -4.45 118.95 117.80 1oat s ARG 274 Ca 0.00 -1.45 -0.01 0.00 -1.72 0.00 0.00 55.73 52.55 1oat s ARG 274 Cb 0.00 0.27 0.46 0.00 -0.45 0.00 0.00 34.95 35.23 1oat s ARG 274 CO 0.00 -0.32 1.92 -1.49 -0.68 0.00 0.00 175.30 174.74 1oat h TRP 275 N 2.76 1.09 -3.91 -0.53 4.06 -1.95 -1.88 115.95 115.59 1oat h TRP 275 Ca -0.35 0.03 -0.27 0.00 2.06 0.00 0.00 58.89 60.36 1oat h TRP 275 Cb 1.21 -0.36 -0.25 0.00 -1.00 0.00 0.00 29.16 28.76 1oat h TRP 275 CO 0.41 0.61 -0.74 -0.51 -3.56 0.00 0.00 178.44 174.66 1oat s LEU 276 N -10.02 2.12 0.56 -4.49 1.43 -1.26 -0.53 118.68 106.49 1oat s LEU 276 Ca -0.12 -0.29 0.31 0.00 -1.03 0.00 0.00 54.13 53.00 1oat s LEU 276 Cb 0.19 -0.15 1.64 0.00 0.03 0.00 0.00 46.19 47.90 1oat s LEU 276 CO 0.80 -0.08 2.13 0.00 0.23 0.00 0.00 176.35 179.43 1oat h ALA 277 N 5.34 1.24 0.00 4.21 0.00 -1.81 -1.84 119.26 126.40 1oat h ALA 277 Ca -0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1oat h ALA 277 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1oat h ALA 277 CO 0.46 0.09 -0.19 -0.24 0.00 0.00 0.00 179.25 179.37 1oat h VAL 278 N 0.00 0.59 0.00 0.00 3.04 -1.95 -2.92 116.25 115.02 1oat h VAL 278 Ca -0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1oat h VAL 278 Cb 0.26 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1oat h VAL 278 CO 0.01 0.19 -0.03 0.44 -1.01 0.00 0.00 177.57 177.16 1oat h ASP 279 N 0.00 0.00 0.03 3.17 3.32 -1.58 -2.07 116.42 119.29 1oat h ASP 279 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oat h ASP 279 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1oat h ASP 279 CO 0.02 0.03 -0.01 1.88 -1.72 0.00 0.00 179.24 179.45 1oat h TYR 280 N 0.00 0.00 -0.23 4.55 0.05 -1.71 -2.39 116.97 117.25 1oat h TYR 280 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1oat h TYR 280 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1oat h TYR 280 CO 0.00 0.01 0.00 0.39 -1.05 0.00 0.00 178.16 177.51 1oat n GLU 281 N -4.00 2.92 -3.68 4.88 1.02 -0.79 -5.00 120.64 116.00 1oat n GLU 281 Ca -0.03 -1.86 -0.23 0.00 -0.02 0.00 0.00 57.16 55.02 1oat n GLU 281 Cb 0.10 -1.18 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 1oat n GLU 281 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1oat n ASN 282 N 0.17 -3.09 -4.57 1.62 3.02 -0.90 -4.84 115.26 106.67 1oat n ASN 282 Ca 0.08 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 1oat n ASN 282 Cb 0.37 -4.42 -0.11 0.00 -0.61 0.00 0.00 39.78 35.01 1oat n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oat s VAL 283 N -3.46 3.84 -0.40 2.41 1.01 -1.18 -5.04 120.40 117.58 1oat s VAL 283 Ca 0.26 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1oat s VAL 283 Cb -0.12 -2.61 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1oat s VAL 283 CO 0.78 0.57 0.20 -0.60 0.00 0.00 0.00 175.10 176.05 1oat s ARG 284 N -0.46 2.32 1.00 2.72 3.52 -1.26 -4.61 118.95 122.19 1oat s ARG 284 Ca 0.07 -1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 53.96 1oat s ARG 284 Cb -0.12 -3.61 0.19 0.00 -1.56 0.00 0.00 34.95 29.85 1oat s ARG 284 CO 0.02 -0.96 1.08 -2.14 -0.81 0.00 0.00 175.30 172.49 1oat s PRO 285 N 1.28 0.44 0.01 5.12 0.02 -1.26 -4.97 135.00 135.63 1oat s PRO 285 Ca 0.04 0.76 0.03 0.00 0.02 0.00 0.00 61.00 61.85 1oat s PRO 285 Cb -0.23 -1.72 -0.25 0.00 0.02 0.00 0.00 34.50 32.33 1oat s PRO 285 CO -0.01 -2.79 0.85 -0.44 -0.33 0.00 0.00 177.00 174.28 1oat h ASP 286 N -1.94 0.19 -3.68 2.53 3.32 -1.00 -3.45 116.42 112.39 1oat h ASP 286 Ca -0.54 -0.29 -0.33 0.00 0.02 0.00 0.00 57.03 55.88 1oat h ASP 286 Cb 1.31 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.49 1oat h ASP 286 CO 0.54 1.25 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.93 1oat s ILE 287 N -2.63 0.31 -0.05 0.35 1.01 -0.95 -4.36 121.20 114.88 1oat s ILE 287 Ca -0.06 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1oat s ILE 287 Cb 0.08 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1oat s ILE 287 CO 0.83 0.13 -0.24 -0.69 0.00 0.00 0.00 174.94 174.97 1oat s VAL 288 N 0.45 1.97 -0.16 2.92 1.01 -0.62 -1.00 120.40 124.96 1oat s VAL 288 Ca -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1oat s VAL 288 Cb -0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1oat s VAL 288 CO -0.01 0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 1oat s LEU 289 N -0.16 3.20 0.06 3.92 1.43 -0.75 -1.18 118.68 125.21 1oat s LEU 289 Ca -0.03 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1oat s LEU 289 Cb -0.13 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1oat s LEU 289 CO 0.03 0.15 -0.19 -0.76 0.23 0.00 0.00 176.35 175.81 1oat s LEU 290 N 0.46 2.21 0.00 1.79 1.43 -0.44 -1.41 118.68 122.72 1oat s LEU 290 Ca -0.04 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1oat s LEU 290 Cb -0.14 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1oat s LEU 290 CO 0.03 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1oat n GLY 291 N 1.64 2.66 6.65 -3.19 0.00 -1.26 -0.64 105.19 111.05 1oat n GLY 291 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1oat n GLY 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oat n LYS 292 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.72 118.16 121.81 1oat n LYS 292 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1oat n LYS 292 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.72 1oat n LYS 292 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oat n ALA 293 N 6.43 2.37 0.17 7.82 0.00 -1.21 -3.32 120.51 132.78 1oat n ALA 293 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1oat n ALA 293 Cb 0.00 -1.43 0.46 0.00 0.00 0.00 0.00 19.45 18.48 1oat n ALA 293 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1oat n LEU 294 N -1.20 0.46 0.00 0.00 7.94 -0.70 -1.51 117.00 121.98 1oat n LEU 294 Ca 0.15 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1oat n LEU 294 Cb 0.18 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1oat n LEU 294 CO 0.19 -0.81 0.31 -1.54 -1.11 0.00 0.00 177.39 174.43 1oat n SER 295 N -2.10 1.14 -1.50 1.96 3.41 -1.21 -4.18 113.62 111.14 1oat n SER 295 Ca -0.01 -1.37 -0.19 0.00 -0.26 0.00 0.00 58.87 57.05 1oat n SER 295 Cb 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1oat n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oat n GLY 296 N -0.18 1.62 1.82 5.00 0.00 -0.57 -2.15 105.19 110.73 1oat n GLY 296 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1oat n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oat n GLY 297 N -0.71 0.65 0.01 -0.02 0.00 -1.03 -4.70 105.19 99.39 1oat n GLY 297 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1oat n GLY 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 298 N 0.00 0.70 -3.59 0.99 4.32 -0.91 -4.98 117.00 113.52 1oat n LEU 298 Ca 0.00 -0.20 -0.11 0.00 -0.02 0.00 0.00 56.01 55.68 1oat n LEU 298 Cb 0.00 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.66 1oat n LEU 298 CO 0.00 0.14 0.69 -0.47 -1.22 0.00 0.00 177.39 176.53 1oat s TYR 299 N -3.10 -0.48 -0.49 -1.77 6.14 -1.26 -5.11 117.35 111.28 1oat s TYR 299 Ca 0.06 0.98 -0.28 0.00 0.64 0.00 0.00 57.07 58.47 1oat s TYR 299 Cb 0.16 0.40 0.01 0.00 0.42 0.00 0.00 41.96 42.95 1oat s TYR 299 CO 0.81 -0.34 1.39 -2.14 0.64 0.00 0.00 175.55 175.91 1oat s PRO 300 N -0.54 3.45 -0.03 4.97 0.02 -1.26 -4.65 135.00 136.96 1oat s PRO 300 Ca -0.01 0.66 0.02 0.00 0.02 0.00 0.00 61.00 61.68 1oat s PRO 300 Cb -0.02 -4.06 0.01 0.00 0.02 0.00 0.00 34.50 30.45 1oat s PRO 300 CO -0.00 -1.74 -0.06 0.08 -0.33 0.00 0.00 177.00 174.95 1oat s VAL 301 N 5.65 0.59 0.11 3.83 1.01 -0.68 -4.54 120.40 126.37 1oat s VAL 301 Ca 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1oat s VAL 301 Cb -0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1oat s VAL 301 CO 0.29 0.22 0.06 -0.94 0.00 0.00 0.00 175.10 174.73 1oat s SER 302 N 0.55 0.32 -0.05 3.32 1.04 -0.71 -4.27 113.70 113.90 1oat s SER 302 Ca -0.08 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.15 1oat s SER 302 Cb -0.11 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1oat s SER 302 CO 0.00 -0.71 0.30 0.00 0.98 0.00 0.00 173.24 173.82 1oat s ALA 303 N -3.99 -0.75 -0.22 5.32 0.00 0.19 -1.86 121.76 120.44 1oat s ALA 303 Ca 0.17 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1oat s ALA 303 Cb 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1oat s ALA 303 CO -0.03 -0.22 -0.12 0.08 0.00 0.00 0.00 175.76 175.47 1oat s VAL 304 N -0.86 2.53 -0.15 0.00 1.01 -0.81 -1.33 120.40 120.79 1oat s VAL 304 Ca -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1oat s VAL 304 Cb -0.04 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1oat s VAL 304 CO 0.03 0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.64 1oat s LEU 305 N 1.30 3.14 0.16 3.92 1.43 -0.32 -1.32 118.68 127.00 1oat s LEU 305 Ca 0.01 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1oat s LEU 305 Cb -0.15 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1oat s LEU 305 CO -0.08 0.16 0.92 0.00 0.23 0.00 0.00 176.35 177.59 1oat s ASP 307 N -2.92 4.91 0.31 0.00 1.01 -1.26 -1.81 116.67 116.91 1oat s ASP 307 Ca 0.12 0.82 0.06 0.00 0.71 0.00 0.00 52.55 54.25 1oat s ASP 307 Cb -0.02 -1.46 0.71 0.00 1.01 0.00 0.00 42.92 43.16 1oat s ASP 307 CO 0.02 -1.63 1.81 0.44 0.21 0.00 0.00 175.17 176.03 1oat h ASP 308 N -0.80 0.79 0.44 0.27 3.32 -1.96 -1.77 116.42 116.72 1oat h ASP 308 Ca -0.45 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1oat h ASP 308 Cb 1.30 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1oat h ASP 308 CO 0.64 0.35 -0.07 -2.24 -1.72 0.00 0.00 179.24 176.19 1oat h ASP 309 N 0.81 0.00 0.00 6.45 2.03 -1.98 -2.05 116.42 121.68 1oat h ASP 309 Ca 0.53 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 56.39 1oat h ASP 309 Cb 0.77 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.20 1oat h ASP 309 CO -0.31 0.07 -2.49 -0.38 -1.03 0.00 0.00 179.24 175.11 1oat n ILE 310 N -3.41 1.52 -0.18 4.15 5.41 -0.95 -4.60 119.36 121.31 1oat n ILE 310 Ca -0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 62.75 63.31 1oat n ILE 310 Cb 0.22 -1.79 0.22 0.00 -0.71 0.00 0.00 39.64 37.58 1oat n ILE 310 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1oat h MET 311 N -0.78 0.92 -0.03 0.38 4.05 -1.36 -2.74 114.93 115.36 1oat h MET 311 Ca -0.67 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.64 1oat h MET 311 Cb 1.67 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1oat h MET 311 CO -0.35 0.70 0.00 1.28 0.23 0.00 0.00 176.91 178.78 1oat n LEU 312 N -4.35 0.22 0.09 3.39 4.77 -0.77 -3.11 117.00 117.25 1oat n LEU 312 Ca 0.06 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1oat n LEU 312 Cb 0.12 -0.02 0.45 0.00 -2.33 0.00 0.00 43.42 41.65 1oat n LEU 312 CO 0.38 0.05 0.88 0.35 -1.33 0.00 0.00 177.39 177.72 1oat n THR 313 N -0.52 0.62 -3.56 -5.08 -2.24 -1.03 -4.54 114.28 97.93 1oat n THR 313 Ca 0.08 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1oat n THR 313 Cb 0.07 -0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 1oat n THR 313 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1oat s ILE 314 N -3.15 5.27 0.50 2.28 1.01 -1.18 -4.97 121.20 120.97 1oat s ILE 314 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1oat s ILE 314 Cb 0.12 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1oat s ILE 314 CO 0.50 0.11 0.73 -0.54 0.00 0.00 0.00 174.94 175.74 1oat s LYS 315 N 1.74 2.80 0.18 2.79 3.01 -1.26 -4.99 119.74 124.01 1oat s LYS 315 Ca 0.06 -0.62 -0.33 0.00 -1.01 0.00 0.00 55.97 54.08 1oat s LYS 315 Cb -0.17 -2.51 -0.14 0.00 -1.01 0.00 0.00 37.83 34.00 1oat s LYS 315 CO 0.11 -0.50 1.53 -2.30 0.51 0.00 0.00 175.35 174.69 1oat n PRO 316 N -2.22 2.11 -0.71 -1.68 -0.02 -1.26 -1.90 135.00 129.32 1oat n PRO 316 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1oat n PRO 316 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1oat n PRO 316 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oat n GLY 317 N 3.02 0.83 0.02 -1.23 0.00 -1.26 -4.91 105.19 101.66 1oat n GLY 317 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1oat n GLY 317 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oat n GLU 318 N -2.09 0.23 -3.53 1.61 1.02 -0.80 -4.94 120.64 112.15 1oat n GLU 318 Ca 0.00 -0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 1oat n GLU 318 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 1oat n GLU 318 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1oat s HIS 319 N -3.16 -0.60 -0.22 -0.32 5.04 -1.26 -5.01 115.29 109.76 1oat s HIS 319 Ca 0.05 0.97 0.00 0.00 -1.54 0.00 0.00 55.06 54.53 1oat s HIS 319 Cb 0.15 0.40 0.00 0.00 0.04 0.00 0.00 32.58 33.16 1oat s HIS 319 CO 0.80 -0.62 0.00 0.41 -2.34 0.00 0.00 174.74 173.00 1oat n GLY 320 N 0.80 -1.20 3.62 1.59 0.00 -1.26 -5.06 105.19 103.68 1oat n GLY 320 Ca -0.19 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1oat n GLY 320 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oat s SER 321 N -1.70 -0.59 0.07 1.61 0.15 -1.26 -5.04 113.70 106.93 1oat s SER 321 Ca 0.00 1.05 -0.35 0.00 0.70 0.00 0.00 55.95 57.35 1oat s SER 321 Cb 0.00 1.03 -0.19 0.00 -1.71 0.00 0.00 66.02 65.15 1oat s SER 321 CO 0.00 -0.26 1.60 0.74 1.20 0.00 0.00 173.24 176.51 1oat h THR 322 N 3.60 0.16 -0.00 6.45 2.02 -2.02 -3.22 112.91 119.90 1oat h THR 322 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1oat h THR 322 Cb 1.16 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1oat h THR 322 CO 0.14 0.00 -0.10 -1.22 0.37 0.00 0.00 175.52 174.71 1oat n TYR 323 N -5.56 0.00 -1.97 3.16 4.02 -1.26 -4.59 117.16 110.96 1oat n TYR 323 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 1oat n TYR 323 Cb 0.44 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1oat n TYR 323 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1oat s GLY 324 N -2.65 1.59 0.00 2.72 0.00 -1.22 -2.50 107.32 105.27 1oat s GLY 324 Ca 0.24 1.13 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1oat s GLY 324 CO 0.50 2.87 0.00 0.61 0.00 0.00 0.00 173.10 177.08 1oat n GLY 325 N 3.97 0.47 3.76 0.20 0.00 -1.26 -4.81 105.19 107.53 1oat n GLY 325 Ca 0.16 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1oat n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s ASN 326 N -2.76 5.30 0.33 1.61 2.20 -1.04 -4.72 114.94 115.87 1oat s ASN 326 Ca 0.00 2.18 0.06 0.00 -0.94 0.00 0.00 52.86 54.16 1oat s ASN 326 Cb 0.00 -2.58 0.72 0.00 -2.00 0.00 0.00 41.25 37.39 1oat s ASN 326 CO 0.00 -1.50 1.87 -0.65 -2.94 0.00 0.00 177.10 173.87 1oat h PRO 327 N 0.67 0.78 -0.01 3.55 0.11 -1.87 -2.24 132.00 132.99 1oat h PRO 327 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1oat h PRO 327 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1oat h PRO 327 CO 0.55 0.52 -0.00 1.25 -0.21 0.00 0.00 178.00 180.10 1oat h LEU 328 N 0.81 0.02 -1.15 2.35 5.85 -1.75 -2.55 115.31 118.89 1oat h LEU 328 Ca 0.45 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1oat h LEU 328 Cb 0.59 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1oat h LEU 328 CO -0.21 0.44 -0.21 1.23 -0.34 0.00 0.00 178.44 179.35 1oat h GLY 329 N -0.40 0.36 1.04 3.75 0.00 -1.85 -2.84 103.07 103.13 1oat h GLY 329 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1oat h GLY 329 CO 0.00 0.24 0.16 0.00 0.00 0.00 0.00 176.54 176.95 1oat h ARG 331 N 0.98 0.38 -0.12 0.00 2.47 -1.26 -1.91 114.38 114.92 1oat h ARG 331 Ca 0.21 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.79 1oat h ARG 331 Cb 0.36 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1oat h ARG 331 CO 0.00 0.34 -0.32 -0.39 0.56 0.00 0.00 179.97 180.17 1oat h VAL 332 N 0.32 1.27 -0.38 2.04 -1.51 -1.44 -2.76 116.25 113.78 1oat h VAL 332 Ca 0.09 -1.27 -0.15 0.00 -1.23 0.00 0.00 66.70 64.15 1oat h VAL 332 Cb 0.08 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1oat h VAL 332 CO -0.01 0.38 -0.33 0.00 -1.23 0.00 0.00 177.57 176.37 1oat h ALA 333 N 1.48 0.55 0.30 5.19 0.00 -1.10 0.88 119.26 126.55 1oat h ALA 333 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1oat h ALA 333 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1oat h ALA 333 CO 0.05 0.61 -0.20 0.82 0.00 0.00 0.00 179.25 180.53 1oat h ILE 334 N 0.70 0.57 -0.81 0.00 2.04 -1.26 -0.61 117.51 118.14 1oat h ILE 334 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1oat h ILE 334 Cb 0.92 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1oat h ILE 334 CO 0.09 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.75 1oat h ALA 335 N 0.18 1.07 -0.44 1.87 0.00 -1.47 -0.45 119.26 120.02 1oat h ALA 335 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1oat h ALA 335 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1oat h ALA 335 CO 0.01 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.64 1oat h ALA 336 N 1.35 1.29 -0.18 0.00 0.00 -0.51 -1.26 119.26 119.95 1oat h ALA 336 Ca 0.33 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1oat h ALA 336 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1oat h ALA 336 CO -0.13 0.49 -0.41 -0.07 0.00 0.00 0.00 179.25 179.14 1oat h LEU 337 N 0.65 0.67 -0.93 0.00 3.38 -0.61 -3.17 115.31 115.30 1oat h LEU 337 Ca 0.14 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1oat h LEU 337 Cb 0.31 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1oat h LEU 337 CO 0.00 1.11 0.62 -0.33 0.09 0.00 0.00 178.44 179.93 1oat h GLU 338 N 0.26 1.22 -0.79 1.13 5.08 -0.73 -2.43 114.58 118.32 1oat h GLU 338 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1oat h GLU 338 Cb 1.01 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1oat h GLU 338 CO 0.09 0.81 0.50 0.28 -1.00 0.00 0.00 179.01 179.68 1oat h VAL 339 N 1.25 1.21 -0.40 3.13 2.07 -1.28 -0.30 116.25 121.94 1oat h VAL 339 Ca 0.34 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1oat h VAL 339 Cb -0.14 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 1oat h VAL 339 CO -0.08 0.22 -0.14 -0.07 0.02 0.00 0.00 177.57 177.52 1oat h LEU 340 N 1.08 0.72 0.15 2.57 3.38 -1.41 -2.15 115.31 119.65 1oat h LEU 340 Ca 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1oat h LEU 340 Cb -0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1oat h LEU 340 CO -0.06 0.87 -0.07 -0.08 0.09 0.00 0.00 178.44 179.19 1oat h GLU 341 N 0.66 -0.20 -0.76 1.13 4.81 -1.23 -2.90 114.58 116.09 1oat h GLU 341 Ca 0.11 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.56 1oat h GLU 341 Cb 0.61 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1oat h GLU 341 CO 0.04 -0.13 0.54 0.93 -0.73 0.00 0.00 179.01 179.66 1oat h GLU 342 N -0.52 0.09 -0.32 1.92 5.08 -1.14 -0.75 114.58 118.94 1oat h GLU 342 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1oat h GLU 342 Cb 0.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1oat h GLU 342 CO 0.03 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.49 1oat n GLU 343 N -4.36 2.30 -3.94 2.33 1.02 -0.81 -4.97 120.64 112.21 1oat n GLU 343 Ca 0.15 -1.96 -0.25 0.00 -0.02 0.00 0.00 57.16 55.08 1oat n GLU 343 Cb 0.77 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1oat n GLU 343 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1oat n ASN 344 N 1.18 -0.53 0.19 1.62 3.02 -0.29 -4.87 115.26 115.58 1oat n ASN 344 Ca 0.18 -0.99 0.05 0.00 -0.03 0.00 0.00 54.58 53.79 1oat n ASN 344 Cb 0.53 -3.13 0.38 0.00 -0.61 0.00 0.00 39.78 36.96 1oat n ASN 344 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1oat h LEU 345 N -1.83 0.00 -0.04 3.41 3.38 -1.77 -2.39 115.31 116.07 1oat h LEU 345 Ca -0.63 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1oat h LEU 345 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1oat h LEU 345 CO 0.63 0.37 -0.01 0.00 0.09 0.00 0.00 178.44 179.52 1oat h ALA 346 N 1.63 0.06 -0.53 1.53 0.00 -1.80 -0.22 119.26 119.94 1oat h ALA 346 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1oat h ALA 346 Cb 0.76 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1oat h ALA 346 CO 0.05 -0.25 0.30 1.49 0.00 0.00 0.00 179.25 180.83 1oat h GLU 347 N -0.25 0.56 -0.40 0.00 4.81 -1.76 0.12 114.58 117.67 1oat h GLU 347 Ca 0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1oat h GLU 347 Cb 0.37 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1oat h GLU 347 CO 0.00 0.37 0.18 -0.97 -0.73 0.00 0.00 179.01 177.87 1oat h ASN 348 N 0.58 0.52 -0.63 1.04 -0.00 -1.34 -0.97 115.58 114.78 1oat h ASN 348 Ca 0.22 -0.14 0.03 0.00 -0.00 0.00 0.00 56.30 56.42 1oat h ASN 348 Cb 0.08 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.22 1oat h ASN 348 CO -0.12 0.51 0.38 0.00 -0.00 0.00 0.00 177.43 178.20 1oat h ALA 349 N 1.03 0.82 0.17 1.57 0.00 -0.52 0.22 119.26 122.54 1oat h ALA 349 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1oat h ALA 349 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oat h ALA 349 CO -0.02 0.11 -0.08 0.22 0.00 0.00 0.00 179.25 179.49 1oat h ASP 350 N 0.74 -0.20 -0.30 0.00 3.58 -0.36 0.49 116.42 120.38 1oat h ASP 350 Ca 0.26 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1oat h ASP 350 Cb 0.04 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1oat h ASP 350 CO -0.11 0.00 0.09 0.11 -2.88 0.00 0.00 179.24 176.45 1oat h LYS 351 N -0.39 0.46 -0.08 0.28 1.57 -0.98 -3.17 116.57 114.25 1oat h LYS 351 Ca -0.02 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1oat h LYS 351 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1oat h LYS 351 CO 0.04 0.52 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.97 1oat h LEU 352 N 0.32 0.19 -1.12 2.94 3.38 -0.58 -3.04 115.31 117.39 1oat h LEU 352 Ca 0.09 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1oat h LEU 352 Cb 0.26 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1oat h LEU 352 CO -0.00 0.58 0.60 1.23 0.09 0.00 0.00 178.44 180.93 1oat h GLY 353 N 1.22 1.35 0.91 0.83 0.00 -0.87 -2.13 103.07 104.39 1oat h GLY 353 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1oat h GLY 353 CO 0.06 0.30 0.08 -2.22 0.00 0.00 0.00 176.54 174.77 1oat h ILE 354 N 1.05 1.13 0.03 2.60 1.08 -1.55 -2.02 117.51 119.83 1oat h ILE 354 Ca 0.40 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1oat h ILE 354 Cb 0.20 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1oat h ILE 354 CO -0.15 0.12 -0.01 0.40 -0.69 0.00 0.00 178.15 177.82 1oat h ILE 355 N 0.15 0.98 0.26 -0.67 2.04 -1.53 0.06 117.51 118.80 1oat h ILE 355 Ca 0.06 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1oat h ILE 355 Cb 0.12 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1oat h ILE 355 CO -0.01 0.01 -0.47 0.25 0.00 0.00 0.00 178.15 177.93 1oat h LEU 356 N -0.06 -1.37 -0.40 1.44 6.46 -1.36 0.01 115.31 120.03 1oat h LEU 356 Ca -0.00 0.13 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1oat h LEU 356 Cb 0.05 0.49 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1oat h LEU 356 CO 0.01 -0.57 0.11 0.03 -0.62 0.00 0.00 178.44 177.40 1oat h ARG 357 N -0.80 0.24 -0.56 1.25 3.08 -1.32 -0.48 114.38 115.80 1oat h ARG 357 Ca -0.01 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1oat h ARG 357 Cb 0.77 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 1oat h ARG 357 CO -0.19 0.16 0.17 -0.91 -1.07 0.00 0.00 179.97 178.13 1oat h ASN 358 N 0.25 0.12 0.02 7.04 2.35 -0.53 -2.24 115.58 122.58 1oat h ASN 358 Ca 0.19 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1oat h ASN 358 Cb 0.21 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1oat h ASN 358 CO -0.22 0.08 -0.32 -0.33 -1.65 0.00 0.00 177.43 174.99 1oat h GLU 359 N 0.33 0.43 0.00 0.81 4.39 -0.54 -2.95 114.58 117.04 1oat h GLU 359 Ca 0.28 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1oat h GLU 359 Cb 0.36 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1oat h GLU 359 CO -0.32 0.70 0.00 -0.07 -1.16 0.00 0.00 179.01 178.16 1oat h LEU 360 N 0.37 0.00 -0.00 1.33 3.38 -0.56 -3.03 115.31 116.81 1oat h LEU 360 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1oat h LEU 360 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1oat h LEU 360 CO 0.06 0.00 -0.00 0.23 0.09 0.00 0.00 178.44 178.82 1oat n MET 361 N -2.84 0.01 0.12 1.13 2.81 -0.89 -3.39 117.12 114.07 1oat n MET 361 Ca 0.02 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1oat n MET 361 Cb 0.37 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.41 1oat n MET 361 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1oat h LYS 362 N 0.00 0.00 -6.80 0.03 1.57 -1.65 -3.47 116.57 106.25 1oat h LYS 362 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1oat h LYS 362 Cb 0.50 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.02 1oat h LYS 362 CO 0.00 0.63 -0.51 1.28 -0.57 0.00 0.00 179.45 180.28 1oat n LEU 363 N -3.34 0.07 -4.78 2.94 4.77 -1.22 -4.95 117.00 110.50 1oat n LEU 363 Ca 0.01 0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 56.00 1oat n LEU 363 Cb 0.75 -1.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1oat n LEU 363 CO 0.42 -3.51 0.76 -2.16 -1.33 0.00 0.00 177.39 171.57 1oat s PRO 364 N -3.62 3.63 0.45 3.23 0.04 -1.26 -4.90 135.00 132.57 1oat s PRO 364 Ca 0.58 1.52 0.29 0.00 0.04 0.00 0.00 61.00 63.43 1oat s PRO 364 Cb -0.22 -2.12 1.04 0.00 0.04 0.00 0.00 34.50 33.25 1oat s PRO 364 CO 0.66 -0.61 1.84 0.77 0.04 0.00 0.00 177.00 179.71 1oat h SER 365 N 1.51 0.00 0.31 6.66 0.02 -1.93 -0.90 113.55 119.22 1oat h SER 365 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1oat h SER 365 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1oat h SER 365 CO 0.58 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.37 1oat n ASP 366 N -2.88 0.00 0.00 3.07 5.75 -1.26 -3.72 116.55 117.50 1oat n ASP 366 Ca 0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 1oat n ASP 366 Cb 0.35 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1oat n ASP 366 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1oat n VAL 367 N -1.18 0.00 -3.95 2.12 0.31 -1.14 -4.61 118.33 109.88 1oat n VAL 367 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 1oat n VAL 367 Cb 0.16 -0.38 -0.15 0.00 -0.91 0.00 0.00 33.84 32.56 1oat n VAL 367 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1oat s VAL 368 N -1.62 1.85 -0.29 2.52 1.01 -0.36 -2.04 120.40 121.48 1oat s VAL 368 Ca 0.00 -1.90 0.20 0.00 0.00 0.00 0.00 61.98 60.28 1oat s VAL 368 Cb 0.00 -2.29 0.16 0.00 0.00 0.00 0.00 36.38 34.25 1oat s VAL 368 CO 0.00 -0.48 1.41 0.71 0.00 0.00 0.00 175.10 176.74 1oat h THR 369 N 6.61 0.31 -2.23 3.92 1.35 -0.72 -3.36 112.91 118.79 1oat h THR 369 Ca -0.10 -1.46 -0.07 0.00 -0.55 0.00 0.00 66.41 64.23 1oat h THR 369 Cb 1.03 2.06 -0.19 0.00 -1.73 0.00 0.00 68.15 69.32 1oat h THR 369 CO 0.49 0.18 0.09 0.00 -0.25 0.00 0.00 175.52 176.02 1oat s ALA 370 N -3.13 -1.55 -0.05 6.62 0.00 -1.24 -4.97 121.76 117.43 1oat s ALA 370 Ca 0.04 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1oat s ALA 370 Cb 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1oat s ALA 370 CO 0.72 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 176.14 1oat s VAL 371 N -1.16 0.81 0.11 0.00 1.01 -1.26 -0.51 120.40 119.39 1oat s VAL 371 Ca -0.11 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1oat s VAL 371 Cb -0.01 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1oat s VAL 371 CO 0.08 0.28 0.52 0.00 0.00 0.00 0.00 175.10 175.98 1oat s ARG 372 N 0.78 1.13 0.00 2.72 1.70 -0.71 -5.01 118.95 119.57 1oat s ARG 372 Ca -0.13 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1oat s ARG 372 Cb -0.15 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1oat s ARG 372 CO 0.02 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1oat n GLY 373 N -0.05 -1.04 2.97 3.88 0.00 -1.26 -1.16 105.19 108.53 1oat n GLY 373 Ca -0.17 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1oat n GLY 373 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s LYS 374 N -1.64 0.12 5.29 1.61 1.02 -0.79 -5.00 119.74 120.35 1oat s LYS 374 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1oat s LYS 374 Cb 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1oat s LYS 374 CO 0.00 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1oat n GLY 375 N 3.24 3.28 2.14 -3.33 0.00 -1.05 -1.70 105.19 107.76 1oat n GLY 375 Ca -0.15 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1oat n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 376 N 0.00 6.52 -4.05 0.99 4.32 0.37 -4.08 117.00 121.07 1oat n LEU 376 Ca 0.00 -3.58 -0.32 0.00 -0.02 0.00 0.00 56.01 52.09 1oat n LEU 376 Cb 0.00 -0.82 -0.14 0.00 -1.62 0.00 0.00 43.42 40.84 1oat n LEU 376 CO 0.00 1.04 -0.33 -0.22 -1.22 0.00 0.00 177.39 176.66 1oat s LEU 377 N -3.26 4.57 0.23 2.23 2.96 -0.69 -4.32 118.68 120.41 1oat s LEU 377 Ca 0.56 -1.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.50 1oat s LEU 377 Cb 0.47 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1oat s LEU 377 CO 0.11 -0.36 0.12 0.20 -1.32 0.00 0.00 176.35 175.09 1oat s ASN 378 N 1.07 0.69 0.01 3.68 0.01 -0.94 -1.89 114.94 117.57 1oat s ASN 378 Ca 0.07 -1.40 -0.26 0.00 -0.71 0.00 0.00 52.86 50.55 1oat s ASN 378 Cb -0.20 0.29 0.06 0.00 0.41 0.00 0.00 41.25 41.82 1oat s ASN 378 CO -0.07 -0.80 0.59 0.00 -1.51 0.00 0.00 177.10 175.31 1oat s ALA 379 N -3.95 -1.52 0.12 0.60 0.00 -0.31 -0.59 121.76 116.11 1oat s ALA 379 Ca 0.38 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.33 1oat s ALA 379 Cb 0.07 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1oat s ALA 379 CO 0.13 -0.45 -0.22 0.96 0.00 0.00 0.00 175.76 176.18 1oat s ILE 380 N -1.93 1.86 -0.26 0.00 -4.36 -0.08 -1.73 121.20 114.71 1oat s ILE 380 Ca -0.08 -1.68 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1oat s ILE 380 Cb -0.01 -1.72 -0.00 0.00 1.25 0.00 0.00 42.46 41.99 1oat s ILE 380 CO 0.03 -0.09 0.02 -0.69 0.24 0.00 0.00 174.94 174.45 1oat s VAL 381 N -1.34 3.69 0.35 8.37 1.01 0.33 -0.97 120.40 131.83 1oat s VAL 381 Ca 0.10 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1oat s VAL 381 Cb -0.09 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1oat s VAL 381 CO 0.05 0.25 0.77 -0.63 0.00 0.00 0.00 175.10 175.55 1oat s ILE 382 N 1.49 4.64 -0.79 2.22 -1.09 0.34 -0.20 121.20 127.81 1oat s ILE 382 Ca 0.04 1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 59.31 1oat s ILE 382 Cb -0.16 -3.62 0.18 0.00 -1.58 0.00 0.00 42.46 37.28 1oat s ILE 382 CO -0.00 -0.24 0.80 -0.75 -1.23 0.00 0.00 174.94 173.52 1oat s LYS 383 N -3.10 3.48 -0.23 2.79 2.36 -0.87 -4.67 119.74 119.50 1oat s LYS 383 Ca 0.55 -2.14 -0.31 0.00 -2.55 0.00 0.00 55.97 51.53 1oat s LYS 383 Cb -0.10 -4.49 -0.08 0.00 -1.05 0.00 0.00 37.83 32.12 1oat s LYS 383 CO 0.18 -1.41 2.18 -1.91 1.55 0.00 0.00 175.35 175.94 1oat n GLU 384 N 4.82 1.77 -4.64 4.03 2.13 -1.26 -4.84 120.64 122.65 1oat n GLU 384 Ca 0.10 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 58.13 1oat n GLU 384 Cb 0.46 -2.97 -0.09 0.00 0.27 0.00 0.00 31.44 29.12 1oat n GLU 384 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1oat s THR 385 N 7.56 1.54 -1.00 6.31 -4.23 -0.80 -5.00 115.64 120.02 1oat s THR 385 Ca 1.02 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1oat s THR 385 Cb -0.51 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 70.86 1oat s THR 385 CO 0.41 0.00 1.16 0.29 -0.54 0.00 0.00 174.62 175.93 1oat n LYS 386 N -1.18 0.00 -0.01 3.99 5.02 -1.26 -2.12 118.16 122.60 1oat n LYS 386 Ca -0.12 0.41 0.09 0.00 -2.02 0.00 0.00 58.31 56.67 1oat n LYS 386 Cb 0.67 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.04 1oat n LYS 386 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1oat n ASP 387 N -1.50 0.67 -3.46 4.39 9.92 -1.26 -5.07 116.55 120.25 1oat n ASP 387 Ca 0.01 -0.13 -0.14 0.00 -0.53 0.00 0.00 54.79 54.00 1oat n ASP 387 Cb 0.06 1.75 -0.03 0.00 -0.64 0.00 0.00 41.12 42.26 1oat n ASP 387 CO 0.00 0.00 0.00 -1.66 0.13 0.00 0.00 177.20 175.67 1oat s TRP 388 N -3.24 -0.57 0.22 1.24 1.48 -0.90 -5.12 118.94 112.04 1oat s TRP 388 Ca -0.05 0.57 -0.04 0.00 -1.06 0.00 0.00 56.10 55.52 1oat s TRP 388 Cb 0.12 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.96 1oat s TRP 388 CO 0.79 -0.77 0.37 -0.40 -4.06 0.00 0.00 176.95 172.88 1oat n ASP 389 N 0.03 -1.05 0.12 -2.66 5.68 -1.26 -1.90 116.55 115.52 1oat n ASP 389 Ca -0.18 -2.04 0.01 0.00 -0.50 0.00 0.00 54.79 52.08 1oat n ASP 389 Cb 0.62 1.84 0.33 0.00 -1.14 0.00 0.00 41.12 42.77 1oat n ASP 389 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1oat h ALA 390 N 1.88 1.35 -0.32 2.12 0.00 -1.89 -1.31 119.26 121.09 1oat h ALA 390 Ca -0.18 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1oat h ALA 390 Cb 0.72 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1oat h ALA 390 CO 0.23 0.45 -0.49 2.35 0.00 0.00 0.00 179.25 181.80 1oat h TRP 391 N 0.17 1.07 -0.52 0.00 2.91 -1.97 -1.60 115.95 116.01 1oat h TRP 391 Ca 0.03 -0.36 -0.12 0.00 1.13 0.00 0.00 58.89 59.57 1oat h TRP 391 Cb 0.58 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 1oat h TRP 391 CO 0.01 1.18 -0.12 0.87 -1.03 0.00 0.00 178.44 179.34 1oat h LYS 392 N 0.68 1.01 -0.77 2.65 1.57 -1.88 -2.12 116.57 117.72 1oat h LYS 392 Ca 0.03 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1oat h LYS 392 Cb 1.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1oat h LYS 392 CO 0.11 1.07 0.37 0.28 -0.57 0.00 0.00 179.45 180.71 1oat h VAL 393 N 0.88 1.24 -0.36 0.50 2.07 -1.15 -2.39 116.25 117.04 1oat h VAL 393 Ca 0.13 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1oat h VAL 393 Cb 0.69 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1oat h VAL 393 CO 0.05 0.29 -0.25 0.00 0.02 0.00 0.00 177.57 177.68 1oat h LEU 395 N 0.64 0.94 -0.67 0.00 3.38 -1.18 -0.70 115.31 117.72 1oat h LEU 395 Ca 0.08 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1oat h LEU 395 Cb 0.76 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1oat h LEU 395 CO 0.06 1.03 -0.64 -0.09 0.09 0.00 0.00 178.44 178.89 1oat h ARG 396 N 0.83 0.10 -0.15 1.13 2.43 -1.30 -0.98 114.38 116.44 1oat h ARG 396 Ca 0.15 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1oat h ARG 396 Cb 0.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1oat h ARG 396 CO 0.03 0.70 -0.35 1.25 -1.51 0.00 0.00 179.97 180.10 1oat h LEU 397 N 0.07 0.32 -0.21 3.80 5.85 -0.97 -0.78 115.31 123.39 1oat h LEU 397 Ca -0.01 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1oat h LEU 397 Cb 1.14 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1oat h LEU 397 CO 0.09 0.65 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.57 1oat h ARG 398 N 0.27 0.49 -0.35 1.25 2.43 -0.56 0.70 114.38 118.61 1oat h ARG 398 Ca 0.03 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1oat h ARG 398 Cb 0.75 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1oat h ARG 398 CO 0.06 0.82 0.24 -0.44 -1.51 0.00 0.00 179.97 179.13 1oat h ASP 399 N 0.18 0.28 -0.40 -3.80 3.32 -0.88 -1.91 116.42 113.20 1oat h ASP 399 Ca 0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1oat h ASP 399 Cb 0.71 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1oat h ASP 399 CO 0.05 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.34 1oat n ASN 400 N -4.48 2.34 0.00 6.45 5.03 -0.33 -4.94 115.26 119.33 1oat n ASN 400 Ca 0.04 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.43 1oat n ASN 400 Cb 0.19 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1oat n ASN 400 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oat n GLY 401 N 1.07 0.81 2.87 7.41 0.00 -0.72 -4.96 105.19 111.67 1oat n GLY 401 Ca 0.14 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1oat n GLY 401 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oat s LEU 402 N 0.00 1.36 -0.24 0.99 0.20 0.21 -0.74 118.68 120.45 1oat s LEU 402 Ca 0.00 -0.08 -0.10 0.00 0.69 0.00 0.00 54.13 54.63 1oat s LEU 402 Cb 0.00 -0.34 -0.05 0.00 -0.43 0.00 0.00 46.19 45.37 1oat s LEU 402 CO 0.00 -0.06 0.16 -0.76 -0.29 0.00 0.00 176.35 175.40 1oat s LEU 403 N 0.81 4.05 0.07 -0.68 1.43 0.15 -2.80 118.68 121.71 1oat s LEU 403 Ca -0.10 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 1oat s LEU 403 Cb -0.13 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1oat s LEU 403 CO -0.00 0.05 0.36 0.00 0.23 0.00 0.00 176.35 176.98 1oat s ALA 404 N 1.18 -0.83 0.01 4.21 0.00 -1.26 -0.69 121.76 124.37 1oat s ALA 404 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1oat s ALA 404 Cb -0.14 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1oat s ALA 404 CO 0.05 -0.50 -0.15 0.15 0.00 0.00 0.00 175.76 175.31 1oat s LYS 405 N -3.00 1.11 0.66 0.00 -0.14 -1.26 -4.86 119.74 112.25 1oat s LYS 405 Ca -0.02 -0.62 -0.12 0.00 -1.36 0.00 0.00 55.97 53.85 1oat s LYS 405 Cb 0.00 -1.09 -0.01 0.00 -1.68 0.00 0.00 37.83 35.05 1oat s LYS 405 CO -0.06 0.29 1.05 -2.14 -0.76 0.00 0.00 175.35 173.73 1oat s PRO 406 N -0.66 3.12 -0.04 -1.68 0.02 -1.26 -3.82 135.00 130.68 1oat s PRO 406 Ca 0.04 0.97 0.11 0.00 0.02 0.00 0.00 61.00 62.14 1oat s PRO 406 Cb -0.06 -2.01 -0.16 0.00 0.02 0.00 0.00 34.50 32.28 1oat s PRO 406 CO 0.00 -0.95 0.19 -2.37 -0.33 0.00 0.00 177.00 173.54 1oat n THR 407 N -2.85 0.20 -1.60 0.99 5.66 0.17 -4.83 114.28 112.02 1oat n THR 407 Ca 0.07 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1oat n THR 407 Cb 0.53 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1oat n THR 407 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1oat n HIS 408 N -2.03 0.00 0.00 1.09 8.25 -1.25 -4.98 115.22 116.29 1oat n HIS 408 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1oat n HIS 408 Cb 0.45 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1oat n HIS 408 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oat n GLY 409 N 0.00 3.29 0.00 -1.41 0.00 -1.26 -4.67 105.19 101.14 1oat n GLY 409 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oat n GLY 409 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oat n ASP 410 N 0.00 0.20 -4.00 1.61 5.75 -1.26 -2.82 116.55 116.03 1oat n ASP 410 Ca 0.00 -1.09 -0.27 0.00 -0.01 0.00 0.00 54.79 53.42 1oat n ASP 410 Cb 0.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 1oat n ASP 410 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1oat s ILE 411 N -0.09 1.27 -0.11 2.12 1.01 -1.26 0.13 121.20 124.26 1oat s ILE 411 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1oat s ILE 411 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1oat s ILE 411 CO 0.00 0.40 -0.13 -0.63 0.00 0.00 0.00 174.94 174.58 1oat s ILE 412 N 1.21 3.12 -0.15 2.92 1.01 -0.15 -0.66 121.20 128.50 1oat s ILE 412 Ca -0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1oat s ILE 412 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1oat s ILE 412 CO -0.04 0.54 0.10 -0.60 0.00 0.00 0.00 174.94 174.95 1oat s ARG 413 N 0.07 3.72 -0.26 2.79 3.52 -1.25 -0.90 118.95 126.65 1oat s ARG 413 Ca -0.05 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1oat s ARG 413 Cb -0.15 -3.21 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1oat s ARG 413 CO 0.04 0.52 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.92 1oat s PHE 414 N -0.31 3.16 -0.41 5.12 0.08 0.24 -4.54 117.98 121.32 1oat s PHE 414 Ca 0.10 -1.92 0.04 0.00 0.12 0.00 0.00 56.93 55.27 1oat s PHE 414 Cb -0.12 -2.01 0.17 0.00 -0.57 0.00 0.00 43.02 40.49 1oat s PHE 414 CO 0.01 -0.81 0.38 0.00 -0.10 0.00 0.00 175.22 174.70 1oat s ALA 415 N 1.22 0.54 0.45 5.36 0.00 0.54 -2.22 121.76 127.65 1oat s ALA 415 Ca -0.04 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 1oat s ALA 415 Cb -0.18 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 21.04 1oat s ALA 415 CO -0.05 -2.06 0.87 -1.25 0.00 0.00 0.00 175.76 173.27 1oat s PRO 416 N 0.57 3.87 0.46 0.00 0.04 -1.26 -2.82 135.00 135.86 1oat s PRO 416 Ca 0.27 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 1oat s PRO 416 Cb -0.04 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 1oat s PRO 416 CO -0.11 -0.13 0.71 -2.30 0.04 0.00 0.00 177.00 175.21 1oat n PRO 417 N -1.37 0.81 0.07 0.56 -0.02 -1.26 -4.84 135.00 128.96 1oat n PRO 417 Ca 0.04 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1oat n PRO 417 Cb 0.54 -1.75 0.40 0.00 -0.02 0.00 0.00 33.50 32.67 1oat n PRO 417 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oat n LEU 418 N 0.76 0.36 0.01 2.45 4.77 0.11 -2.75 117.00 122.71 1oat n LEU 418 Ca 0.11 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 1oat n LEU 418 Cb 0.41 -0.56 0.54 0.00 -2.33 0.00 0.00 43.42 41.48 1oat n LEU 418 CO 0.54 -0.47 0.91 1.33 -1.33 0.00 0.00 177.39 178.37 1oat n VAL 419 N -1.91 0.27 -1.52 4.08 0.24 -1.24 -4.67 118.33 113.57 1oat n VAL 419 Ca 0.02 0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 61.97 1oat n VAL 419 Cb 0.18 -0.62 0.04 0.00 -1.47 0.00 0.00 33.84 31.96 1oat n VAL 419 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oat n ILE 420 N -1.58 2.67 -4.20 1.34 3.06 -1.11 -5.01 119.36 114.53 1oat n ILE 420 Ca 0.06 -0.50 -0.23 0.00 -2.50 0.00 0.00 62.75 59.58 1oat n ILE 420 Cb 0.31 -0.85 -0.06 0.00 0.54 0.00 0.00 39.64 39.58 1oat n ILE 420 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1oat s LYS 421 N -2.23 2.50 0.36 9.51 1.02 -1.26 -4.99 119.74 124.65 1oat s LYS 421 Ca 0.70 -1.32 0.09 0.00 0.02 0.00 0.00 55.97 55.45 1oat s LYS 421 Cb -0.46 -2.29 0.81 0.00 -0.52 0.00 0.00 37.83 35.37 1oat s LYS 421 CO 0.53 0.33 1.88 1.49 -0.92 0.00 0.00 175.35 178.65 1oat h GLU 422 N 1.70 0.68 -0.31 1.68 4.81 -1.98 -0.01 114.58 121.15 1oat h GLU 422 Ca -0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1oat h GLU 422 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1oat h GLU 422 CO 0.61 0.45 0.01 0.38 -0.73 0.00 0.00 179.01 179.73 1oat h ASP 423 N 0.70 0.52 -0.71 1.04 2.03 -1.98 0.46 116.42 118.47 1oat h ASP 423 Ca 0.44 -0.30 -0.06 0.00 -0.73 0.00 0.00 57.03 56.38 1oat h ASP 423 Cb 0.68 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 39.01 1oat h ASP 423 CO -0.20 0.69 0.22 -0.33 -1.03 0.00 0.00 179.24 178.60 1oat h GLU 424 N 0.33 1.11 -0.61 4.15 5.08 -1.83 -0.26 114.58 122.55 1oat h GLU 424 Ca 0.09 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1oat h GLU 424 Cb 0.42 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1oat h GLU 424 CO 0.01 0.95 0.22 1.25 -1.00 0.00 0.00 179.01 180.44 1oat h LEU 425 N 1.05 0.86 -0.72 1.33 5.85 -0.85 0.16 115.31 122.99 1oat h LEU 425 Ca 0.23 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1oat h LEU 425 Cb 0.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1oat h LEU 425 CO -0.01 0.82 0.47 -0.09 -0.34 0.00 0.00 178.44 179.29 1oat h ARG 426 N 0.85 0.92 -0.32 1.25 9.65 -0.35 -0.21 114.38 126.17 1oat h ARG 426 Ca 0.20 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1oat h ARG 426 Cb 0.25 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1oat h ARG 426 CO -0.01 0.61 0.15 1.49 2.80 0.00 0.00 179.97 185.00 1oat h GLU 427 N 0.95 0.47 -0.54 0.20 4.81 -0.49 -2.73 114.58 117.26 1oat h GLU 427 Ca 0.27 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1oat h GLU 427 Cb -0.07 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1oat h GLU 427 CO -0.07 0.45 0.32 0.77 -0.73 0.00 0.00 179.01 179.75 1oat h SER 428 N 0.38 0.52 -0.39 1.04 0.02 -0.50 -2.38 113.55 112.24 1oat h SER 428 Ca 0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1oat h SER 428 Cb 0.15 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1oat h SER 428 CO -0.01 0.36 0.24 0.40 -1.14 0.00 0.00 176.83 176.68 1oat h ILE 429 N 0.63 1.12 -0.61 3.27 2.04 -0.93 -1.53 117.51 121.51 1oat h ILE 429 Ca 0.22 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 1oat h ILE 429 Cb 0.03 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1oat h ILE 429 CO -0.10 0.13 0.07 -0.08 0.00 0.00 0.00 178.15 178.17 1oat h GLU 430 N 0.56 1.01 -0.65 2.37 4.57 -1.12 0.42 114.58 121.73 1oat h GLU 430 Ca 0.15 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1oat h GLU 430 Cb -0.01 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1oat h GLU 430 CO -0.03 0.95 0.09 0.82 -1.18 0.00 0.00 179.01 179.66 1oat h ILE 431 N 0.94 1.26 -0.57 2.32 2.04 -1.08 0.75 117.51 123.17 1oat h ILE 431 Ca 0.18 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 1oat h ILE 431 Cb 0.45 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1oat h ILE 431 CO 0.02 0.39 -0.02 0.40 0.00 0.00 0.00 178.15 178.93 1oat h ILE 432 N 1.01 1.27 -0.06 -0.67 2.04 -0.87 -0.64 117.51 119.58 1oat h ILE 432 Ca 0.20 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1oat h ILE 432 Cb 0.46 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1oat h ILE 432 CO 0.02 0.42 0.00 0.78 0.00 0.00 0.00 178.15 179.37 1oat h ASN 433 N 0.91 0.11 -0.12 1.72 2.35 -0.60 -1.29 115.58 118.67 1oat h ASN 433 Ca 0.16 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1oat h ASN 433 Cb 0.58 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 1oat h ASN 433 CO 0.03 0.37 -0.20 0.50 -1.65 0.00 0.00 177.43 176.48 1oat h LYS 434 N -0.16 -0.25 0.48 0.81 3.64 -0.80 -1.15 116.57 119.14 1oat h LYS 434 Ca 0.02 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1oat h LYS 434 Cb 0.31 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1oat h LYS 434 CO 0.00 -0.17 -0.23 1.15 -2.27 0.00 0.00 179.45 177.94 1oat h THR 435 N -0.26 0.53 -0.86 1.00 2.02 -1.07 -2.14 112.91 112.13 1oat h THR 435 Ca 0.10 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1oat h THR 435 Cb 0.40 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1oat h THR 435 CO -0.27 0.02 0.54 0.40 0.37 0.00 0.00 175.52 176.57 1oat h ILE 436 N -0.69 1.05 0.00 3.11 1.08 -1.17 -2.26 117.51 118.63 1oat h ILE 436 Ca -0.07 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1oat h ILE 436 Cb 0.52 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1oat h ILE 436 CO 0.11 0.18 0.00 0.18 -0.69 0.00 0.00 178.15 177.93 1oat n LEU 437 N -4.61 0.74 -0.03 1.44 4.77 -0.44 -3.39 117.00 115.48 1oat n LEU 437 Ca 0.12 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.86 1oat n LEU 437 Cb 0.17 -0.39 0.86 0.00 -2.33 0.00 0.00 43.42 41.72 1oat n LEU 437 CO 0.31 -0.28 1.06 -1.54 -1.33 0.00 0.00 177.39 175.61 1oat n SER 438 N -2.22 0.10 -0.69 -1.43 3.41 -0.81 -5.08 113.62 106.90 1oat n SER 438 Ca 0.05 -0.77 0.13 0.00 -0.26 0.00 0.00 58.87 58.02 1oat n SER 438 Cb 0.37 -0.08 0.34 0.00 -0.26 0.00 0.00 64.21 64.58 1oat n SER 438 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37