#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oat s PRO 37 N 0.00 4.72 0.50 1.61 0.05 -1.26 -5.02 135.00 135.60 2oat s PRO 37 Ca 0.00 1.66 -0.23 0.00 0.05 0.00 0.00 61.00 62.48 2oat s PRO 37 Cb 0.00 -3.24 -0.06 0.00 0.05 0.00 0.00 34.50 31.25 2oat s PRO 37 CO 0.00 0.31 1.34 -2.14 0.05 0.00 0.00 177.00 176.56 2oat s PRO 38 N -1.17 3.43 0.78 0.56 0.02 -1.26 -5.03 135.00 132.33 2oat s PRO 38 Ca 0.44 2.20 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 2oat s PRO 38 Cb -0.29 -2.42 0.13 0.00 0.02 0.00 0.00 34.50 31.94 2oat s PRO 38 CO 0.37 -0.95 1.09 -0.08 -0.33 0.00 0.00 177.00 177.09 2oat s THR 39 N -1.31 2.16 0.26 0.99 -1.32 -1.26 -4.86 115.64 110.29 2oat s THR 39 Ca 0.67 -0.33 -0.05 0.00 -1.21 0.00 0.00 61.69 60.76 2oat s THR 39 Cb -0.39 -2.82 0.26 0.00 -1.51 0.00 0.00 72.50 68.04 2oat s THR 39 CO 0.48 0.00 1.92 0.28 -2.21 0.00 0.00 174.62 175.09 2oat h SER 40 N -0.85 1.12 0.17 8.08 0.02 -1.95 -0.80 113.55 119.34 2oat h SER 40 Ca -0.41 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 2oat h SER 40 Cb 1.27 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2oat h SER 40 CO 0.46 0.79 -0.39 0.44 -1.14 0.00 0.00 176.83 176.98 2oat h ASP 41 N 1.31 0.31 -0.37 3.07 5.19 -2.00 -1.90 116.42 122.02 2oat h ASP 41 Ca 0.38 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 2oat h ASP 41 Cb -0.07 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2oat h ASP 41 CO -0.10 0.67 -0.09 0.44 -3.12 0.00 0.00 179.24 177.04 2oat h ASP 42 N 0.25 0.73 -0.26 6.45 3.32 -1.70 -2.27 116.42 122.93 2oat h ASP 42 Ca 0.02 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.73 2oat h ASP 42 Cb 0.81 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2oat h ASP 42 CO 0.06 0.92 0.12 0.40 -1.72 0.00 0.00 179.24 179.03 2oat h ILE 43 N 0.52 0.98 -0.44 0.35 2.04 -0.93 -1.55 117.51 118.48 2oat h ILE 43 Ca 0.09 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2oat h ILE 43 Cb 0.61 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2oat h ILE 43 CO 0.04 0.05 0.16 -0.26 0.00 0.00 0.00 178.15 178.14 2oat h PHE 44 N 0.26 0.69 -0.81 1.37 0.04 -1.30 -2.87 116.94 114.32 2oat h PHE 44 Ca 0.11 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2oat h PHE 44 Cb 0.04 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 2oat h PHE 44 CO -0.10 0.60 0.41 1.49 -0.60 0.00 0.00 178.31 180.11 2oat h GLU 45 N 0.57 1.16 -0.61 1.51 4.81 -1.27 -2.02 114.58 118.74 2oat h GLU 45 Ca 0.15 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2oat h GLU 45 Cb 0.22 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2oat h GLU 45 CO -0.01 0.88 0.22 -0.09 -0.73 0.00 0.00 179.01 179.28 2oat h ARG 46 N 1.15 0.92 -0.17 1.92 2.43 -1.14 -2.19 114.38 117.31 2oat h ARG 46 Ca 0.28 -0.18 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 2oat h ARG 46 Cb 0.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2oat h ARG 46 CO -0.04 0.80 -0.52 0.93 -1.51 0.00 0.00 179.97 179.64 2oat h GLU 47 N 0.86 0.48 -0.70 0.20 5.08 -1.34 -2.25 114.58 116.91 2oat h GLU 47 Ca 0.20 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2oat h GLU 47 Cb 0.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2oat h GLU 47 CO -0.01 0.88 0.46 -0.92 -1.00 0.00 0.00 179.01 178.42 2oat h TYR 48 N 0.38 0.86 0.05 4.33 3.20 -1.15 0.16 116.97 124.80 2oat h TYR 48 Ca 0.01 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2oat h TYR 48 Cb 1.03 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 39.02 2oat h TYR 48 CO 0.04 0.53 -0.37 -0.22 -1.64 0.00 0.00 178.16 176.49 2oat h LYS 49 N 0.92 0.17 -0.01 1.82 3.64 -1.16 -3.40 116.57 118.56 2oat h LYS 49 Ca 0.26 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2oat h LYS 49 Cb -0.07 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2oat h LYS 49 CO -0.06 1.06 -0.63 0.66 -2.27 0.00 0.00 179.45 178.21 2oat n TYR 50 N -4.40 0.00 -4.39 1.91 4.01 -0.87 -5.00 117.16 108.42 2oat n TYR 50 Ca -0.11 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.35 2oat n TYR 50 Cb 0.61 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.52 2oat n TYR 50 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2oat s GLY 51 N -2.42 1.68 0.81 2.72 0.00 0.56 -5.05 107.32 105.62 2oat s GLY 51 Ca 0.10 -1.55 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 2oat s GLY 51 CO 0.61 -1.56 1.20 0.00 0.00 0.00 0.00 173.10 173.35 2oat n ALA 52 N 0.46 -0.02 -1.67 3.20 0.00 -1.26 -4.69 120.51 116.53 2oat n ALA 52 Ca -0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 2oat n ALA 52 Cb 0.55 -2.25 0.05 0.00 0.00 0.00 0.00 19.45 17.80 2oat n ALA 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2oat n HIS 53 N -3.26 2.98 1.19 0.00 8.25 -1.26 -4.63 115.22 118.49 2oat n HIS 53 Ca 0.14 -2.55 0.14 0.00 -0.26 0.00 0.00 57.72 55.19 2oat n HIS 53 Cb 0.50 -1.29 0.55 0.00 1.12 0.00 0.00 29.99 30.87 2oat n HIS 53 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2oat n ASN 54 N -0.59 0.30 -4.31 0.41 6.94 -1.26 -4.83 115.26 111.92 2oat n ASN 54 Ca 0.56 -0.14 -0.22 0.00 -0.02 0.00 0.00 54.58 54.77 2oat n ASN 54 Cb 0.40 -0.15 -0.12 0.00 -2.36 0.00 0.00 39.78 37.56 2oat n ASN 54 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2oat s TYR 55 N -2.76 1.76 -0.53 -2.53 2.02 -1.26 -5.09 117.35 108.96 2oat s TYR 55 Ca 0.20 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2oat s TYR 55 Cb 0.19 -0.91 0.14 0.00 -0.40 0.00 0.00 41.96 40.99 2oat s TYR 55 CO 0.54 0.27 0.31 -1.58 -1.57 0.00 0.00 175.55 173.52 2oat s HIS 56 N -1.79 2.78 0.68 2.71 2.46 -1.26 -5.11 115.29 115.76 2oat s HIS 56 Ca 0.12 -2.94 -0.13 0.00 0.47 0.00 0.00 55.06 52.59 2oat s HIS 56 Cb -0.07 -2.41 0.00 0.00 -0.13 0.00 0.00 32.58 29.97 2oat s HIS 56 CO 0.05 -0.72 1.07 -2.14 -2.47 0.00 0.00 174.74 170.54 2oat s PRO 57 N -0.32 2.87 0.17 2.88 0.02 -1.26 -4.99 135.00 134.37 2oat s PRO 57 Ca 0.20 1.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 2oat s PRO 57 Cb -0.19 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 2oat s PRO 57 CO -0.04 -1.17 1.34 -1.17 -0.33 0.00 0.00 177.00 175.63 2oat s LEU 58 N -5.22 4.40 -0.94 -5.54 2.96 -1.26 -4.88 118.68 108.20 2oat s LEU 58 Ca 0.62 2.38 -0.25 0.00 -0.22 0.00 0.00 54.13 56.66 2oat s LEU 58 Cb -0.16 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 2oat s LEU 58 CO 0.48 -0.57 2.12 -2.84 -1.32 0.00 0.00 176.35 174.21 2oat s PRO 59 N 0.29 2.05 -0.21 0.98 0.02 -1.26 -4.84 135.00 132.02 2oat s PRO 59 Ca 0.59 -0.20 -0.15 0.00 0.02 0.00 0.00 61.00 61.26 2oat s PRO 59 Cb -0.37 -4.99 0.06 0.00 0.02 0.00 0.00 34.50 29.22 2oat s PRO 59 CO 0.36 -4.12 0.55 0.14 -0.33 0.00 0.00 177.00 173.59 2oat s VAL 60 N 12.71 -0.01 -0.37 3.83 -7.23 -1.26 -5.12 120.40 122.95 2oat s VAL 60 Ca 0.78 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.96 2oat s VAL 60 Cb -0.07 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 36.17 2oat s VAL 60 CO 0.07 0.01 0.14 0.00 -0.31 0.00 0.00 175.10 175.01 2oat s ALA 61 N 0.97 3.05 0.10 1.32 0.00 -1.26 -5.10 121.76 120.85 2oat s ALA 61 Ca -0.05 -2.29 -0.20 0.00 0.00 0.00 0.00 51.96 49.41 2oat s ALA 61 Cb -0.06 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 2oat s ALA 61 CO -0.09 -1.63 0.62 -0.51 0.00 0.00 0.00 175.76 174.15 2oat s LEU 62 N 1.18 4.53 0.00 0.00 2.01 -1.26 -1.47 118.68 123.66 2oat s LEU 62 Ca 0.04 1.34 0.00 0.00 0.01 0.00 0.00 54.13 55.53 2oat s LEU 62 Cb -0.22 -3.03 0.00 0.00 0.01 0.00 0.00 46.19 42.96 2oat s LEU 62 CO -0.03 0.24 0.00 -1.84 1.01 0.00 0.00 176.35 175.73 2oat n GLU 63 N 1.61 4.76 -3.80 1.70 0.28 -0.46 -4.87 120.64 119.85 2oat n GLU 63 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.79 2oat n GLU 63 Cb 0.50 -0.45 -0.10 0.00 1.43 0.00 0.00 31.44 32.82 2oat n GLU 63 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2oat s ARG 64 N -0.87 0.44 -0.03 3.44 3.52 -1.10 -5.03 118.95 119.32 2oat s ARG 64 Ca 0.00 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2oat s ARG 64 Cb 0.00 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2oat s ARG 64 CO 0.00 -0.09 0.07 0.20 -0.81 0.00 0.00 175.30 174.67 2oat s GLY 65 N -0.58 -0.03 -0.19 8.12 0.00 -1.26 -1.42 107.32 111.95 2oat s GLY 65 Ca -0.07 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.84 2oat s GLY 65 CO 0.02 0.32 0.42 1.25 0.00 0.00 0.00 173.10 175.11 2oat s LYS 66 N 0.29 0.33 7.90 2.90 2.47 0.25 -4.37 119.74 129.52 2oat s LYS 66 Ca -0.02 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 2oat s LYS 66 Cb -0.03 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.60 2oat s LYS 66 CO -0.01 -0.23 0.00 0.41 0.16 0.00 0.00 175.35 175.68 2oat n GLY 67 N 5.18 4.09 0.32 5.54 0.00 -0.77 -0.70 105.19 118.86 2oat n GLY 67 Ca -0.11 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2oat n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2oat n ILE 68 N 0.00 0.00 -4.03 -0.61 -5.35 -1.26 -0.98 119.36 107.13 2oat n ILE 68 Ca 0.00 -0.17 -0.30 0.00 -0.27 0.00 0.00 62.75 62.01 2oat n ILE 68 Cb 0.00 0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 38.18 2oat n ILE 68 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2oat s TYR 69 N -2.25 3.25 0.01 4.28 2.02 0.13 -0.39 117.35 124.38 2oat s TYR 69 Ca 0.32 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 57.16 2oat s TYR 69 Cb 0.20 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2oat s TYR 69 CO 0.43 0.53 -0.14 -0.51 -1.57 0.00 0.00 175.55 174.29 2oat s LEU 70 N -2.49 2.08 -0.08 -1.29 1.43 -0.38 -0.58 118.68 117.37 2oat s LEU 70 Ca 0.30 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2oat s LEU 70 Cb -0.12 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2oat s LEU 70 CO 0.23 0.12 -0.19 0.26 0.23 0.00 0.00 176.35 177.00 2oat s TRP 71 N -0.51 2.04 0.86 0.29 0.51 -0.51 0.27 118.94 121.89 2oat s TRP 71 Ca 0.04 -0.77 -0.10 0.00 -2.12 0.00 0.00 56.10 53.14 2oat s TRP 71 Cb -0.06 -1.40 0.19 0.00 -0.81 0.00 0.00 33.47 31.39 2oat s TRP 71 CO 0.00 -0.32 1.17 -0.40 -0.51 0.00 0.00 176.95 176.89 2oat n ASP 72 N 3.54 0.52 0.26 2.95 5.68 -0.83 -1.36 116.55 127.32 2oat n ASP 72 Ca -0.20 -1.69 0.15 0.00 -0.50 0.00 0.00 54.79 52.55 2oat n ASP 72 Cb 0.52 -0.85 0.63 0.00 -1.14 0.00 0.00 41.12 40.28 2oat n ASP 72 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 2oat h VAL 73 N -1.34 0.18 -0.00 2.12 -1.51 -1.59 -1.83 116.25 112.27 2oat h VAL 73 Ca -0.38 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2oat h VAL 73 Cb 1.15 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2oat h VAL 73 CO 0.31 0.07 -0.02 -0.62 -1.23 0.00 0.00 177.57 176.08 2oat n GLU 74 N -3.20 0.98 -0.32 5.19 4.71 -1.26 -4.90 120.64 121.84 2oat n GLU 74 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2oat n GLU 74 Cb 0.33 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 2oat n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oat n GLY 75 N 1.10 0.93 3.75 0.62 0.00 -0.69 -5.06 105.19 105.84 2oat n GLY 75 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2oat n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oat s ARG 76 N -0.54 2.98 -0.11 1.61 0.52 -1.26 -4.72 118.95 117.42 2oat s ARG 76 Ca 0.00 2.10 -0.06 0.00 -0.52 0.00 0.00 55.73 57.25 2oat s ARG 76 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2oat s ARG 76 CO 0.00 -1.28 0.11 0.21 0.02 0.00 0.00 175.30 174.37 2oat s LYS 77 N -3.10 3.35 0.01 3.54 2.20 -1.26 -1.96 119.74 122.51 2oat s LYS 77 Ca 0.75 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2oat s LYS 77 Cb -0.37 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2oat s LYS 77 CO 0.42 0.76 -0.01 0.71 -0.36 0.00 0.00 175.35 176.88 2oat s TYR 78 N -1.00 0.11 -0.02 4.03 1.51 0.14 -4.70 117.35 117.41 2oat s TYR 78 Ca 0.15 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 2oat s TYR 78 Cb -0.12 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 2oat s TYR 78 CO 0.04 -0.05 1.07 -0.06 -1.11 0.00 0.00 175.55 175.44 2oat s PHE 79 N -0.38 3.49 -0.44 2.71 0.08 -0.13 -1.25 117.98 122.06 2oat s PHE 79 Ca -0.04 1.51 -0.24 0.00 0.12 0.00 0.00 56.93 58.27 2oat s PHE 79 Cb -0.03 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2oat s PHE 79 CO -0.00 -0.56 0.86 0.34 -0.10 0.00 0.00 175.22 175.76 2oat s ASP 80 N 1.13 6.49 -0.29 1.36 -1.08 0.47 -0.29 116.67 124.46 2oat s ASP 80 Ca 0.53 0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.77 2oat s ASP 80 Cb -0.23 -2.42 0.60 0.00 -1.46 0.00 0.00 42.92 39.41 2oat s ASP 80 CO 0.25 -0.95 1.60 0.49 0.52 0.00 0.00 175.17 177.08 2oat n PHE 81 N 6.89 1.66 0.00 -5.34 3.01 0.43 -3.96 117.46 120.14 2oat n PHE 81 Ca 0.04 -1.30 0.00 0.00 1.01 0.00 0.00 57.45 57.20 2oat n PHE 81 Cb 0.48 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2oat n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2oat n LEU 82 N -0.67 0.00 -2.78 4.37 7.94 -1.21 -0.68 117.00 123.97 2oat n LEU 82 Ca 0.35 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 55.06 2oat n LEU 82 Cb 1.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.12 2oat n LEU 82 CO 0.30 0.00 -0.11 -1.20 -1.11 0.00 0.00 177.39 175.26 2oat n SER 83 N -1.64 -4.75 -3.94 1.96 7.64 -1.19 -1.70 113.62 110.00 2oat n SER 83 Ca 0.00 -0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.50 2oat n SER 83 Cb 0.35 -3.94 0.01 0.00 -1.01 0.00 0.00 64.21 59.62 2oat n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oat n SER 84 N -2.12 -3.45 -2.28 6.43 7.64 -1.26 -1.45 113.62 117.13 2oat n SER 84 Ca -0.13 -0.85 -0.18 0.00 1.01 0.00 0.00 58.87 58.71 2oat n SER 84 Cb 0.61 -3.61 0.01 0.00 -1.01 0.00 0.00 64.21 60.21 2oat n SER 84 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2oat n TYR 85 N -4.53 -1.21 -0.00 1.43 4.01 -0.69 -1.87 117.16 114.29 2oat n TYR 85 Ca -0.04 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2oat n TYR 85 Cb 0.56 -3.74 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 2oat n TYR 85 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2oat n SER 86 N -1.61 0.00 -0.06 7.72 7.64 -0.53 -4.75 113.62 122.02 2oat n SER 86 Ca -0.16 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.77 2oat n SER 86 Cb 0.64 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.24 2oat n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oat h ALA 87 N 0.00 1.73 -1.15 -0.43 0.00 -0.98 -2.05 119.26 116.38 2oat h ALA 87 Ca 0.00 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.15 2oat h ALA 87 Cb 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 17.79 17.31 2oat h ALA 87 CO 0.00 0.22 0.67 1.33 0.00 0.00 0.00 179.25 181.47 2oat n VAL 88 N -4.47 3.54 -0.31 0.00 0.24 -0.70 -2.42 118.33 114.21 2oat n VAL 88 Ca 0.06 -4.59 0.06 0.00 -2.04 0.00 0.00 64.34 57.83 2oat n VAL 88 Cb 0.13 -1.27 0.26 0.00 -1.47 0.00 0.00 33.84 31.49 2oat n VAL 88 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2oat h ASN 89 N 3.01 0.88 -0.01 -1.34 4.21 -1.60 -0.52 115.58 120.21 2oat h ASN 89 Ca 0.50 0.02 0.00 0.00 1.21 0.00 0.00 56.30 58.03 2oat h ASN 89 Cb 0.23 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2oat h ASN 89 CO 1.29 0.53 0.00 0.00 -1.29 0.00 0.00 177.43 177.96 2oat n GLN 90 N -4.53 1.02 0.00 0.81 3.00 -1.26 -0.23 117.38 116.19 2oat n GLN 90 Ca 0.15 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2oat n GLN 90 Cb 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.28 2oat n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oat n GLY 91 N 0.74 -0.54 3.76 1.08 0.00 -0.20 -4.64 105.19 105.39 2oat n GLY 91 Ca 0.11 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2oat n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oat s HIS 92 N -3.00 3.07 -1.41 1.61 0.09 -0.15 -3.72 115.29 111.77 2oat s HIS 92 Ca 0.00 1.35 -0.06 0.00 -0.00 0.00 0.00 55.06 56.35 2oat s HIS 92 Cb 0.00 -3.69 0.00 0.00 -0.00 0.00 0.00 32.58 28.90 2oat s HIS 92 CO 0.00 -1.95 0.34 0.00 -0.00 0.00 0.00 174.74 173.12 2oat n HIS 94 N -4.52 2.45 -0.32 0.00 -0.00 -1.24 -4.82 115.22 106.77 2oat n HIS 94 Ca -0.28 -0.03 0.19 0.00 -0.00 0.00 0.00 57.72 57.61 2oat n HIS 94 Cb 0.67 -2.67 0.45 0.00 -0.00 0.00 0.00 29.99 28.43 2oat n HIS 94 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2oat h PRO 95 N 8.25 0.50 -0.15 1.57 0.10 -1.95 -0.18 132.00 140.14 2oat h PRO 95 Ca -0.47 -0.03 -0.16 0.00 0.10 0.00 0.00 66.00 65.44 2oat h PRO 95 Cb 1.24 -0.11 -0.01 0.00 0.10 0.00 0.00 31.00 32.23 2oat h PRO 95 CO 0.93 0.33 -0.58 -0.22 0.10 0.00 0.00 178.00 178.56 2oat h LYS 96 N 0.51 0.49 -0.06 1.05 3.64 -1.97 -1.34 116.57 118.89 2oat h LYS 96 Ca 0.57 -0.32 -0.24 0.00 -1.27 0.00 0.00 60.65 59.39 2oat h LYS 96 Cb 1.26 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2oat h LYS 96 CO -0.31 0.93 -0.91 0.82 -2.27 0.00 0.00 179.45 177.71 2oat h ILE 97 N 0.37 1.30 -0.30 2.00 2.04 -1.49 -2.02 117.51 119.41 2oat h ILE 97 Ca -0.00 -2.16 0.04 0.00 1.00 0.00 0.00 64.86 63.74 2oat h ILE 97 Cb 1.12 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 2oat h ILE 97 CO 0.11 0.67 0.05 0.58 0.00 0.00 0.00 178.15 179.56 2oat h VAL 98 N 0.42 0.84 -0.24 1.67 2.07 -1.10 -0.72 116.25 119.20 2oat h VAL 98 Ca -0.09 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2oat h VAL 98 Cb 1.55 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2oat h VAL 98 CO 0.18 0.03 -0.05 0.78 0.02 0.00 0.00 177.57 178.52 2oat h ASN 99 N 0.15 0.34 -0.41 0.57 2.35 -1.21 0.42 115.58 117.79 2oat h ASN 99 Ca 0.14 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 2oat h ASN 99 Cb 0.16 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2oat h ASN 99 CO -0.19 0.45 -0.02 0.00 -1.65 0.00 0.00 177.43 176.01 2oat h ALA 100 N 1.60 0.56 0.36 -0.83 0.00 -0.55 -0.18 119.26 120.21 2oat h ALA 100 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2oat h ALA 100 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2oat h ALA 100 CO 0.01 0.36 -0.17 1.25 0.00 0.00 0.00 179.25 180.71 2oat h LEU 101 N 0.57 -0.41 -1.12 0.00 5.85 -0.36 -2.57 115.31 117.27 2oat h LEU 101 Ca 0.11 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2oat h LEU 101 Cb 0.52 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2oat h LEU 101 CO 0.03 -0.25 0.60 0.11 -0.34 0.00 0.00 178.44 178.59 2oat h LYS 102 N -0.53 1.01 -0.56 1.25 1.57 -0.89 -1.93 116.57 116.50 2oat h LYS 102 Ca -0.05 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 2oat h LYS 102 Cb 0.40 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2oat h LYS 102 CO 0.08 0.67 0.09 1.03 -0.57 0.00 0.00 179.45 180.74 2oat h SER 103 N 1.04 0.89 1.28 0.86 0.87 -0.89 -3.27 113.55 114.32 2oat h SER 103 Ca 0.41 -0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 2oat h SER 103 Cb 0.24 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2oat h SER 103 CO -0.16 0.93 -0.73 -0.61 -0.53 0.00 0.00 176.83 175.72 2oat h GLN 104 N 0.82 0.00 0.00 2.24 5.75 -1.02 -3.32 115.11 119.58 2oat h GLN 104 Ca 0.17 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2oat h GLN 104 Cb 0.42 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 2oat h GLN 104 CO 0.01 0.61 -0.06 0.28 -2.65 0.00 0.00 178.83 177.02 2oat h VAL 105 N 0.00 0.27 0.00 2.39 2.07 -1.42 0.75 116.25 120.32 2oat h VAL 105 Ca -0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2oat h VAL 105 Cb 1.52 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2oat h VAL 105 CO 0.08 0.06 -0.29 0.47 0.02 0.00 0.00 177.57 177.91 2oat n ASP 106 N -3.35 0.47 -0.10 0.57 8.00 -1.25 -4.41 116.55 116.48 2oat n ASP 106 Ca -0.01 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 2oat n ASP 106 Cb 0.22 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 2oat n ASP 106 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2oat n LYS 107 N -1.81 0.54 -3.64 -1.24 5.02 0.22 -5.07 118.16 112.18 2oat n LYS 107 Ca 0.05 0.27 -0.06 0.00 -2.02 0.00 0.00 58.31 56.56 2oat n LYS 107 Cb 0.38 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2oat n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2oat s LEU 108 N -7.85 -0.70 -0.01 -0.35 0.20 -0.96 -5.09 118.68 103.91 2oat s LEU 108 Ca -0.30 1.15 0.02 0.00 0.69 0.00 0.00 54.13 55.69 2oat s LEU 108 Cb 0.06 2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 47.86 2oat s LEU 108 CO 0.43 -0.18 0.02 0.35 -0.29 0.00 0.00 176.35 176.67 2oat n THR 109 N 3.76 0.08 -3.36 3.68 -2.24 -1.26 -4.30 114.28 110.64 2oat n THR 109 Ca -0.18 -0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.55 2oat n THR 109 Cb 0.58 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 2oat n THR 109 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2oat s LEU 110 N -3.77 -1.29 -0.06 3.22 2.96 -1.26 -3.72 118.68 114.77 2oat s LEU 110 Ca -0.01 1.18 0.20 0.00 -0.22 0.00 0.00 54.13 55.28 2oat s LEU 110 Cb 0.01 2.23 -0.31 0.00 0.50 0.00 0.00 46.19 48.62 2oat s LEU 110 CO 0.08 -0.24 0.38 0.35 -1.32 0.00 0.00 176.35 175.59 2oat n THR 111 N 5.44 0.29 0.00 3.68 -2.24 -1.26 -5.06 114.28 115.13 2oat n THR 111 Ca -0.06 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2oat n THR 111 Cb 0.50 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2oat n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oat n SER 112 N -2.34 0.00 -0.91 3.42 3.41 -1.26 -4.51 113.62 111.42 2oat n SER 112 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2oat n SER 112 Cb 0.68 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.82 2oat n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2oat n ARG 113 N -2.45 2.31 0.24 4.33 1.74 -1.26 -3.59 116.66 117.98 2oat n ARG 113 Ca 0.00 -1.59 0.12 0.00 -0.77 0.00 0.00 57.85 55.61 2oat n ARG 113 Cb 0.00 -1.49 0.59 0.00 -1.02 0.00 0.00 32.46 30.54 2oat n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oat h ALA 114 N 3.60 1.12 -2.23 7.54 0.00 -1.98 -3.44 119.26 123.87 2oat h ALA 114 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 2oat h ALA 114 Cb 0.77 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.39 2oat h ALA 114 CO 0.07 0.21 -0.63 -0.06 0.00 0.00 0.00 179.25 178.84 2oat s PHE 115 N -3.87 1.58 0.32 0.00 0.08 -1.24 -5.16 117.98 109.69 2oat s PHE 115 Ca -0.01 -1.04 -0.00 0.00 0.12 0.00 0.00 56.93 56.00 2oat s PHE 115 Cb 0.11 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 2oat s PHE 115 CO 0.61 -0.17 0.53 0.71 -0.10 0.00 0.00 175.22 176.80 2oat s TYR 116 N -3.56 3.49 0.30 0.36 1.51 -1.26 -4.79 117.35 113.41 2oat s TYR 116 Ca 0.33 0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.79 2oat s TYR 116 Cb 0.07 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 2oat s TYR 116 CO 0.11 0.17 0.09 0.54 -1.11 0.00 0.00 175.55 175.35 2oat s ASN 117 N -3.81 1.81 0.41 2.29 2.20 -1.26 -5.04 114.94 111.55 2oat s ASN 117 Ca 0.40 -1.41 0.25 0.00 -0.94 0.00 0.00 52.86 51.16 2oat s ASN 117 Cb -0.10 0.10 0.63 0.00 -2.00 0.00 0.00 41.25 39.88 2oat s ASN 117 CO 0.34 -0.71 1.71 -0.55 -2.94 0.00 0.00 177.10 174.95 2oat h ASN 118 N 2.22 0.00 0.12 3.54 7.08 -2.01 -3.38 115.58 123.15 2oat h ASN 118 Ca -0.39 0.00 -0.34 0.00 -3.08 0.00 0.00 56.30 52.50 2oat h ASN 118 Cb 1.25 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.48 2oat h ASN 118 CO 0.64 0.00 -1.79 0.58 -2.08 0.00 0.00 177.43 174.78 2oat h VAL 119 N 0.00 0.77 -0.47 6.14 2.07 -1.97 -3.41 116.25 119.38 2oat h VAL 119 Ca 0.00 -2.36 0.08 0.00 0.82 0.00 0.00 66.70 65.24 2oat h VAL 119 Cb 0.84 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 2oat h VAL 119 CO 0.00 0.80 0.08 0.25 0.02 0.00 0.00 177.57 178.72 2oat h LEU 120 N -0.10 -0.02 -1.51 2.57 5.85 -1.84 -2.05 115.31 118.21 2oat h LEU 120 Ca -0.38 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.46 2oat h LEU 120 Cb 1.92 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 43.04 2oat h LEU 120 CO 0.07 0.02 0.37 1.23 -0.34 0.00 0.00 178.44 179.79 2oat h GLY 121 N 0.22 0.72 1.12 3.75 0.00 -1.83 0.78 103.07 107.84 2oat h GLY 121 Ca 0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2oat h GLY 121 CO -0.31 0.21 -0.17 -2.09 0.00 0.00 0.00 176.54 174.18 2oat h GLU 122 N 0.63 1.01 -0.42 4.80 4.81 -1.61 -1.05 114.58 122.75 2oat h GLU 122 Ca 0.23 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 2oat h GLU 122 Cb 0.13 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2oat h GLU 122 CO -0.06 1.09 -0.12 -0.92 -0.73 0.00 0.00 179.01 178.26 2oat h TYR 123 N 0.88 0.93 0.10 0.92 3.20 -0.84 -2.00 116.97 120.16 2oat h TYR 123 Ca 0.12 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2oat h TYR 123 Cb 0.74 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2oat h TYR 123 CO 0.05 0.95 -0.06 0.93 -1.64 0.00 0.00 178.16 178.39 2oat h GLU 124 N 0.64 -0.14 -0.64 1.82 5.08 -0.75 0.05 114.58 120.64 2oat h GLU 124 Ca 0.10 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2oat h GLU 124 Cb 0.66 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2oat h GLU 124 CO 0.05 -0.10 0.42 1.49 -1.00 0.00 0.00 179.01 179.87 2oat h GLU 125 N -0.15 0.82 0.57 2.33 4.81 -1.20 -0.94 114.58 120.82 2oat h GLU 125 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2oat h GLU 125 Cb 0.12 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2oat h GLU 125 CO 0.02 0.54 -0.38 -0.92 -0.73 0.00 0.00 179.01 177.54 2oat h TYR 126 N 0.84 -1.01 -0.29 0.92 3.20 -1.06 -1.71 116.97 117.86 2oat h TYR 126 Ca 0.24 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 2oat h TYR 126 Cb -0.07 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2oat h TYR 126 CO -0.03 -0.57 -0.35 0.97 -1.64 0.00 0.00 178.16 176.54 2oat h ILE 127 N -0.91 1.29 -0.74 1.81 2.10 -0.89 -1.61 117.51 118.56 2oat h ILE 127 Ca -0.07 -1.49 -0.01 0.00 1.08 0.00 0.00 64.86 64.38 2oat h ILE 127 Cb 0.75 1.44 -0.04 0.00 -1.09 0.00 0.00 36.82 37.89 2oat h ILE 127 CO 0.05 0.48 0.44 0.71 -1.08 0.00 0.00 178.15 178.74 2oat h THR 128 N 0.53 1.21 -0.09 2.19 1.35 -1.18 -1.88 112.91 115.04 2oat h THR 128 Ca 0.06 -0.49 -0.15 0.00 -0.55 0.00 0.00 66.41 65.28 2oat h THR 128 Cb 0.85 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 2oat h THR 128 CO 0.07 0.23 -0.58 0.11 -0.25 0.00 0.00 175.52 175.09 2oat h LYS 129 N 1.02 0.31 -0.30 4.72 1.57 -1.18 0.26 116.57 122.97 2oat h LYS 129 Ca 0.27 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2oat h LYS 129 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2oat h LYS 129 CO -0.05 0.80 0.14 1.25 -0.57 0.00 0.00 179.45 181.03 2oat h LEU 130 N 0.23 0.39 -0.29 2.94 6.46 -1.03 -3.14 115.31 120.87 2oat h LEU 130 Ca -0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2oat h LEU 130 Cb 1.09 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2oat h LEU 130 CO 0.09 0.41 -0.52 0.49 -0.62 0.00 0.00 178.44 178.29 2oat n PHE 131 N -4.77 0.00 -2.85 1.25 3.72 -0.73 -5.01 117.46 109.07 2oat n PHE 131 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 2oat n PHE 131 Cb 0.11 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.57 2oat n PHE 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2oat n ASN 132 N -1.04 -3.84 -4.27 4.37 4.05 0.04 -5.08 115.26 109.51 2oat n ASN 132 Ca 0.08 -0.47 -0.19 0.00 0.45 0.00 0.00 54.58 54.45 2oat n ASN 132 Cb 0.36 -3.79 -0.11 0.00 1.23 0.00 0.00 39.78 37.47 2oat n ASN 132 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2oat s TYR 133 N -3.26 1.50 0.11 1.20 2.02 -0.98 -5.03 117.35 112.90 2oat s TYR 133 Ca 0.18 -0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 2oat s TYR 133 Cb -0.02 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2oat s TYR 133 CO 0.52 0.19 1.63 0.45 -1.57 0.00 0.00 175.55 176.77 2oat h HIS 134 N 3.40 0.50 -4.43 2.71 3.86 -1.88 -3.42 115.15 115.89 2oat h HIS 134 Ca -0.40 -0.05 -0.26 0.00 -1.16 0.00 0.00 60.37 58.50 2oat h HIS 134 Cb 1.20 -0.14 -0.15 0.00 1.06 0.00 0.00 27.41 29.38 2oat h HIS 134 CO 0.66 0.50 -0.62 0.15 0.86 0.00 0.00 177.93 179.48 2oat s LYS 135 N -5.42 1.24 0.03 2.45 1.02 -0.90 -4.96 119.74 113.19 2oat s LYS 135 Ca -0.13 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 54.24 2oat s LYS 135 Cb 0.09 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 2oat s LYS 135 CO 0.74 -0.37 -0.11 0.54 -0.92 0.00 0.00 175.35 175.23 2oat s VAL 136 N -4.08 0.88 -0.26 3.17 0.11 -1.26 -2.19 120.40 116.77 2oat s VAL 136 Ca 0.38 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2oat s VAL 136 Cb 0.07 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2oat s VAL 136 CO 0.12 -0.05 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.57 2oat s LEU 137 N -1.03 3.39 0.02 2.54 2.96 0.40 -4.96 118.68 121.99 2oat s LEU 137 Ca -0.01 -1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 52.60 2oat s LEU 137 Cb -0.07 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2oat s LEU 137 CO 0.01 -0.17 0.95 -2.16 -1.32 0.00 0.00 176.35 173.66 2oat s PRO 138 N 1.29 4.57 0.00 0.98 0.04 -1.26 -2.06 135.00 138.56 2oat s PRO 138 Ca -0.02 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2oat s PRO 138 Cb -0.18 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2oat s PRO 138 CO -0.04 0.02 0.00 -1.33 0.04 0.00 0.00 177.00 175.69 2oat n MET 139 N 3.65 1.00 -0.05 4.56 2.81 -0.12 -4.17 117.12 124.79 2oat n MET 139 Ca 0.04 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 2oat n MET 139 Cb 0.51 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.98 2oat n MET 139 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2oat n ASN 140 N -1.81 1.27 -4.85 7.83 3.02 -1.26 -1.60 115.26 117.86 2oat n ASN 140 Ca 0.00 0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.54 2oat n ASN 140 Cb 0.00 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.64 2oat n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2oat s THR 141 N -2.36 3.85 0.18 3.41 -4.23 -1.26 -1.68 115.64 113.54 2oat s THR 141 Ca -0.19 -1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 2oat s THR 141 Cb 0.06 -3.26 0.09 0.00 1.34 0.00 0.00 72.50 70.72 2oat s THR 141 CO 0.25 -0.23 1.77 1.23 -0.54 0.00 0.00 174.62 177.10 2oat h GLY 142 N 1.31 0.71 1.83 3.99 0.00 -1.91 -2.22 103.07 106.79 2oat h GLY 142 Ca -0.46 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2oat h GLY 142 CO 0.59 0.06 -0.08 -0.24 0.00 0.00 0.00 176.54 176.87 2oat h VAL 143 N 0.44 1.14 -0.16 4.60 3.04 -1.97 -1.46 116.25 121.89 2oat h VAL 143 Ca 0.24 -0.61 -0.09 0.00 -1.01 0.00 0.00 66.70 65.23 2oat h VAL 143 Cb 0.20 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2oat h VAL 143 CO -0.20 0.19 -0.30 -0.33 -1.01 0.00 0.00 177.57 175.92 2oat h GLU 144 N 0.21 0.31 -0.38 4.17 5.08 -1.75 -0.03 114.58 122.19 2oat h GLU 144 Ca 0.05 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2oat h GLU 144 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2oat h GLU 144 CO 0.01 0.58 -0.09 0.00 -1.00 0.00 0.00 179.01 178.52 2oat h ALA 145 N 1.42 0.52 -0.44 3.43 0.00 -0.74 -1.65 119.26 121.79 2oat h ALA 145 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2oat h ALA 145 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2oat h ALA 145 CO 0.05 0.37 0.26 0.78 0.00 0.00 0.00 179.25 180.71 2oat h GLY 146 N 0.52 0.65 1.01 0.00 0.00 -0.93 -0.33 103.07 103.98 2oat h GLY 146 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2oat h GLY 146 CO 0.04 0.27 0.45 0.83 0.00 0.00 0.00 176.54 178.13 2oat h GLU 147 N 0.59 0.92 -0.62 4.80 4.39 -0.95 -0.71 114.58 123.00 2oat h GLU 147 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2oat h GLU 147 Cb 0.01 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 2oat h GLU 147 CO -0.03 0.62 0.40 1.15 -1.16 0.00 0.00 179.01 179.99 2oat h THR 148 N 0.94 1.16 -0.49 1.13 2.02 -1.01 -0.19 112.91 116.48 2oat h THR 148 Ca 0.25 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2oat h THR 148 Cb -0.10 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2oat h THR 148 CO -0.05 0.16 0.01 0.00 0.37 0.00 0.00 175.52 176.01 2oat h ALA 149 N 1.22 1.11 -0.28 6.16 0.00 -0.63 0.10 119.26 126.94 2oat h ALA 149 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2oat h ALA 149 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2oat h ALA 149 CO -0.05 0.57 -0.26 0.00 0.00 0.00 0.00 179.25 179.51 2oat h LYS 151 N 0.48 0.89 -0.36 0.00 1.57 -0.29 -1.19 116.57 117.67 2oat h LYS 151 Ca 0.07 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2oat h LYS 151 Cb 0.71 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2oat h LYS 151 CO 0.05 1.08 0.21 -0.07 -0.57 0.00 0.00 179.45 180.16 2oat h LEU 152 N 0.70 0.44 -0.38 2.94 -0.00 -0.66 -0.20 115.31 118.15 2oat h LEU 152 Ca 0.07 -0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 2oat h LEU 152 Cb 0.87 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.39 2oat h LEU 152 CO 0.08 0.37 0.18 0.00 -0.00 0.00 0.00 178.44 179.07 2oat h ALA 153 N 1.08 0.47 -0.17 1.53 0.00 -0.83 0.18 119.26 121.51 2oat h ALA 153 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2oat h ALA 153 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2oat h ALA 153 CO -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 2oat h ARG 154 N 0.38 0.32 -0.72 0.00 3.08 -1.12 0.17 114.38 116.49 2oat h ARG 154 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2oat h ARG 154 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2oat h ARG 154 CO -0.12 0.57 0.37 -0.22 -1.07 0.00 0.00 179.97 179.49 2oat h LYS 155 N 0.04 1.02 -0.38 0.04 1.63 -0.84 0.10 116.57 118.18 2oat h LYS 155 Ca 0.05 -0.13 -0.14 0.00 -0.85 0.00 0.00 60.65 59.58 2oat h LYS 155 Cb 0.44 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2oat h LYS 155 CO 0.01 0.77 -0.30 2.35 -3.45 0.00 0.00 179.45 178.83 2oat h TRP 156 N 1.02 1.03 -0.37 1.91 7.01 -0.53 -0.32 115.95 125.70 2oat h TRP 156 Ca 0.25 -0.29 0.07 0.00 2.11 0.00 0.00 58.89 61.03 2oat h TRP 156 Cb 0.07 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 2oat h TRP 156 CO 0.01 1.09 -0.03 0.78 -2.79 0.00 0.00 178.44 177.50 2oat h GLY 157 N 0.68 0.34 0.25 2.65 0.00 0.41 0.32 103.07 107.72 2oat h GLY 157 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2oat h GLY 157 CO 0.08 -0.11 -0.01 -0.97 0.00 0.00 0.00 176.54 175.54 2oat h TYR 158 N 0.07 -0.02 0.00 5.60 0.05 -0.96 -0.50 116.97 121.21 2oat h TYR 158 Ca 0.18 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.87 2oat h TYR 158 Cb 0.26 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2oat h TYR 158 CO -0.28 0.70 -0.57 1.79 -1.05 0.00 0.00 178.16 178.75 2oat h THR 159 N -0.77 0.60 0.00 -2.88 1.35 -1.00 -3.22 112.91 106.99 2oat h THR 159 Ca -0.00 -1.89 -0.14 0.00 -0.55 0.00 0.00 66.41 63.83 2oat h THR 159 Cb 0.73 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 2oat h THR 159 CO 0.00 0.34 -1.50 0.52 -0.25 0.00 0.00 175.52 174.64 2oat n VAL 160 N -3.12 0.49 0.16 6.82 0.31 0.10 -4.71 118.33 118.38 2oat n VAL 160 Ca 0.01 -0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.21 2oat n VAL 160 Cb 0.70 -1.24 0.19 0.00 -0.91 0.00 0.00 33.84 32.58 2oat n VAL 160 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2oat h LYS 161 N -0.17 0.00 0.00 5.55 3.64 -1.08 -3.47 116.57 121.03 2oat h LYS 161 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2oat h LYS 161 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2oat h LYS 161 CO -0.09 0.50 0.00 0.41 -2.27 0.00 0.00 179.45 178.00 2oat n GLY 162 N 0.62 0.79 3.77 5.01 0.00 -0.55 -5.01 105.19 109.83 2oat n GLY 162 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2oat n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oat s ILE 163 N -2.00 2.47 0.23 -0.61 1.01 -0.31 -4.96 121.20 117.02 2oat s ILE 163 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 2oat s ILE 163 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 2oat s ILE 163 CO 0.00 0.11 1.23 -1.58 0.00 0.00 0.00 174.94 174.70 2oat s GLN 164 N -1.83 4.47 0.14 2.79 0.74 -1.26 -4.42 119.66 120.28 2oat s GLN 164 Ca 0.51 1.97 -0.30 0.00 0.05 0.00 0.00 55.36 57.58 2oat s GLN 164 Cb -0.42 -3.19 -0.07 0.00 1.10 0.00 0.00 33.01 30.42 2oat s GLN 164 CO 0.56 -0.10 1.25 0.15 -0.55 0.00 0.00 175.29 176.60 2oat s LYS 165 N -0.62 4.43 -0.65 1.67 1.02 -1.26 0.13 119.74 124.45 2oat s LYS 165 Ca 0.52 1.91 0.06 0.00 0.02 0.00 0.00 55.97 58.48 2oat s LYS 165 Cb -0.35 -3.26 0.25 0.00 -0.52 0.00 0.00 37.83 33.95 2oat s LYS 165 CO 0.40 -0.23 0.77 0.66 -0.92 0.00 0.00 175.35 176.04 2oat n TYR 166 N 3.20 3.62 -0.58 3.18 4.01 -1.26 -5.05 117.16 124.27 2oat n TYR 166 Ca 0.07 -4.11 0.10 0.00 -0.16 0.00 0.00 57.90 53.80 2oat n TYR 166 Cb 0.44 -0.58 0.35 0.00 -0.31 0.00 0.00 39.34 39.24 2oat n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2oat n LYS 167 N 0.86 3.55 -2.36 -0.72 5.02 0.12 -4.99 118.16 119.65 2oat n LYS 167 Ca 0.30 -2.84 -0.41 0.00 -2.02 0.00 0.00 58.31 53.34 2oat n LYS 167 Cb 0.41 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 2oat n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oat s ALA 168 N -1.72 3.44 0.10 7.82 0.00 -1.26 -4.79 121.76 125.36 2oat s ALA 168 Ca 0.50 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.54 2oat s ALA 168 Cb 0.31 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2oat s ALA 168 CO 0.25 -0.34 -0.18 0.15 0.00 0.00 0.00 175.76 175.64 2oat s LYS 169 N -0.98 1.84 -0.10 0.00 1.02 0.01 -4.73 119.74 116.79 2oat s LYS 169 Ca 0.49 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 55.37 2oat s LYS 169 Cb -0.34 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.85 2oat s LYS 169 CO 0.41 0.49 -0.19 0.42 -0.92 0.00 0.00 175.35 175.57 2oat s ILE 170 N -1.10 1.69 -0.04 2.17 1.01 0.17 -0.26 121.20 124.85 2oat s ILE 170 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 2oat s ILE 170 Cb -0.11 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 2oat s ILE 170 CO 0.09 0.48 0.30 -0.69 0.00 0.00 0.00 174.94 175.12 2oat s VAL 171 N 0.68 5.23 0.28 2.92 1.01 -0.08 -0.99 120.40 129.44 2oat s VAL 171 Ca -0.12 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2oat s VAL 171 Cb -0.16 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2oat s VAL 171 CO 0.03 0.55 -0.02 -0.36 0.00 0.00 0.00 175.10 175.30 2oat s PHE 172 N -1.10 1.88 -0.12 5.22 0.40 0.58 -1.08 117.98 123.76 2oat s PHE 172 Ca 0.22 -0.79 -0.06 0.00 -0.60 0.00 0.00 56.93 55.69 2oat s PHE 172 Cb -0.15 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2oat s PHE 172 CO 0.11 0.16 0.10 0.00 0.70 0.00 0.00 175.22 176.29 2oat s ALA 173 N -3.15 3.68 0.32 5.36 0.00 -1.25 -1.44 121.76 125.28 2oat s ALA 173 Ca 0.31 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 2oat s ALA 173 Cb 0.05 -1.85 -0.12 0.00 0.00 0.00 0.00 23.12 21.20 2oat s ALA 173 CO 0.12 0.55 1.41 0.00 0.00 0.00 0.00 175.76 177.84 2oat n ALA 174 N 2.24 1.75 -0.08 0.00 0.00 0.15 -1.43 120.51 123.13 2oat n ALA 174 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2oat n ALA 174 Cb 0.54 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2oat n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oat n GLY 175 N 1.17 0.67 3.72 0.00 0.00 -1.26 -4.21 105.19 105.29 2oat n GLY 175 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2oat n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat s ASN 176 N -2.66 4.16 -0.16 1.61 2.20 -0.51 -4.14 114.94 115.43 2oat s ASN 176 Ca 0.00 2.28 -0.05 0.00 -0.94 0.00 0.00 52.86 54.15 2oat s ASN 176 Cb 0.00 -2.58 0.08 0.00 -2.00 0.00 0.00 41.25 36.75 2oat s ASN 176 CO 0.00 -2.28 0.32 0.12 -2.94 0.00 0.00 177.10 172.32 2oat s PHE 177 N -2.13 -0.57 -0.02 1.54 2.19 -1.26 -4.69 117.98 113.05 2oat s PHE 177 Ca 0.72 1.09 0.03 0.00 0.33 0.00 0.00 56.93 59.10 2oat s PHE 177 Cb -0.27 0.05 0.05 0.00 -1.31 0.00 0.00 43.02 41.54 2oat s PHE 177 CO 0.47 -0.44 1.01 -2.67 1.83 0.00 0.00 175.22 175.42 2oat n TRP 178 N 5.36 0.00 0.00 10.12 4.27 -1.26 -4.93 117.44 131.00 2oat n TRP 178 Ca -0.07 -0.16 0.00 0.00 -3.89 0.00 0.00 57.50 53.38 2oat n TRP 178 Cb 0.50 -0.07 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 2oat n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2oat n GLY 179 N -0.23 0.86 0.18 -1.67 0.00 -1.26 -3.80 105.19 99.27 2oat n GLY 179 Ca 0.03 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.07 2oat n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat n ARG 180 N -0.76 0.95 -1.35 1.61 5.12 -1.26 -4.41 116.66 116.56 2oat n ARG 180 Ca 0.00 -2.16 -0.29 0.00 -1.93 0.00 0.00 57.85 53.48 2oat n ARG 180 Cb 0.00 -1.23 0.15 0.00 -1.16 0.00 0.00 32.46 30.22 2oat n ARG 180 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2oat s THR 181 N -2.11 2.16 0.26 0.55 -4.23 -1.26 -4.79 115.64 106.22 2oat s THR 181 Ca 0.23 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2oat s THR 181 Cb 0.20 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.65 2oat s THR 181 CO 0.02 -0.07 1.89 -0.07 -0.54 0.00 0.00 174.62 175.85 2oat h LEU 182 N -1.65 1.06 -0.18 4.79 4.07 -1.96 -1.14 115.31 120.30 2oat h LEU 182 Ca -0.52 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.43 2oat h LEU 182 Cb 1.32 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2oat h LEU 182 CO 0.59 0.69 0.06 0.28 -1.08 0.00 0.00 178.44 178.98 2oat h SER 183 N 1.21 0.26 -0.77 -0.43 0.02 -1.99 -2.65 113.55 109.20 2oat h SER 183 Ca 0.43 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2oat h SER 183 Cb 0.13 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2oat h SER 183 CO -0.16 0.38 0.27 0.00 -1.14 0.00 0.00 176.83 176.19 2oat h ALA 184 N 0.89 1.01 0.00 3.77 0.00 -1.70 -2.27 119.26 120.95 2oat h ALA 184 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2oat h ALA 184 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2oat h ALA 184 CO -0.00 0.67 0.00 0.44 0.00 0.00 0.00 179.25 180.36 2oat n ILE 185 N -4.26 0.70 0.77 0.00 -5.35 -0.49 -2.71 119.36 108.01 2oat n ILE 185 Ca 0.07 0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 2oat n ILE 185 Cb 0.21 -0.90 0.50 0.00 -1.74 0.00 0.00 39.64 37.71 2oat n ILE 185 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2oat n SER 186 N -2.08 0.18 -0.54 7.28 7.64 -0.86 -2.59 113.62 122.65 2oat n SER 186 Ca 0.04 0.52 0.06 0.00 1.01 0.00 0.00 58.87 60.51 2oat n SER 186 Cb 0.29 -0.57 0.07 0.00 -1.01 0.00 0.00 64.21 62.99 2oat n SER 186 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2oat n SER 187 N -1.67 2.19 -4.80 6.43 3.41 -1.10 -4.82 113.62 113.25 2oat n SER 187 Ca 0.05 -1.59 -0.35 0.00 -0.26 0.00 0.00 58.87 56.73 2oat n SER 187 Cb 0.30 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2oat n SER 187 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oat s SER 188 N -1.05 7.09 -0.01 4.04 0.15 -1.07 -4.80 113.70 118.05 2oat s SER 188 Ca 0.16 1.74 0.17 0.00 0.70 0.00 0.00 55.95 58.73 2oat s SER 188 Cb 0.11 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.37 2oat s SER 188 CO 0.16 -0.24 1.42 0.35 1.20 0.00 0.00 173.24 176.13 2oat n THR 189 N -0.16 1.05 -3.54 6.45 -2.24 -1.26 -4.90 114.28 109.67 2oat n THR 189 Ca 0.05 -1.02 -0.41 0.00 -2.27 0.00 0.00 64.05 60.40 2oat n THR 189 Cb 0.52 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 2oat n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oat s ASP 190 N -1.01 5.92 0.47 3.42 -1.08 -1.26 -4.95 116.67 118.18 2oat s ASP 190 Ca 0.38 -0.71 0.20 0.00 -0.52 0.00 0.00 52.55 51.90 2oat s ASP 190 Cb 0.20 -2.10 1.20 0.00 -1.46 0.00 0.00 42.92 40.77 2oat s ASP 190 CO 0.25 -0.33 1.95 -0.65 0.52 0.00 0.00 175.17 176.92 2oat h PRO 191 N 8.50 0.23 0.00 4.34 0.11 -1.99 0.29 132.00 143.48 2oat h PRO 191 Ca -0.29 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2oat h PRO 191 Cb 1.13 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2oat h PRO 191 CO 0.67 0.15 -0.20 1.15 -0.21 0.00 0.00 178.00 179.56 2oat h THR 192 N 0.24 0.94 0.13 -1.15 2.02 -1.94 0.64 112.91 113.77 2oat h THR 192 Ca 0.32 -0.73 -0.23 0.00 0.77 0.00 0.00 66.41 66.54 2oat h THR 192 Cb 0.93 1.42 0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2oat h THR 192 CO -0.07 0.19 -0.97 0.28 0.37 0.00 0.00 175.52 175.32 2oat h SER 193 N 0.00 0.64 0.00 4.18 0.02 -1.33 -3.40 113.55 113.65 2oat h SER 193 Ca -0.00 -0.88 -0.09 0.00 -0.84 0.00 0.00 61.79 59.98 2oat h SER 193 Cb 0.40 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2oat h SER 193 CO 0.03 1.46 -1.94 0.00 -1.14 0.00 0.00 176.83 175.24 2oat n TYR 194 N -4.01 0.00 -1.72 3.45 0.18 -1.11 -4.87 117.16 109.08 2oat n TYR 194 Ca -0.14 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.22 2oat n TYR 194 Cb 0.87 -0.54 -0.02 0.00 -0.38 0.00 0.00 39.34 39.27 2oat n TYR 194 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2oat n ASP 195 N -2.28 3.64 0.00 9.48 -0.08 0.20 -1.55 116.55 125.95 2oat n ASP 195 Ca -0.11 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 2oat n ASP 195 Cb 0.65 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.56 2oat n ASP 195 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2oat n GLY 196 N 2.74 0.60 0.00 0.27 0.00 -1.26 -4.88 105.19 102.66 2oat n GLY 196 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2oat n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2oat n PHE 197 N -2.57 0.00 -1.80 1.61 3.72 -0.59 -5.06 117.46 112.77 2oat n PHE 197 Ca 0.00 -0.51 -0.29 0.00 -0.05 0.00 0.00 57.45 56.60 2oat n PHE 197 Cb 0.04 -0.05 0.16 0.00 -0.94 0.00 0.00 39.48 38.68 2oat n PHE 197 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2oat s GLY 198 N -1.06 1.69 0.78 1.37 0.00 -1.26 -4.84 107.32 104.00 2oat s GLY 198 Ca 0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 2oat s GLY 198 CO 0.00 -0.27 1.09 2.56 0.00 0.00 0.00 173.10 176.48 2oat s PRO 199 N -5.69 2.17 0.22 2.90 0.04 -1.26 -5.18 135.00 128.20 2oat s PRO 199 Ca 0.69 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2oat s PRO 199 Cb -0.08 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2oat s PRO 199 CO 0.52 -1.69 0.22 -0.06 0.04 0.00 0.00 177.00 176.04 2oat s PHE 200 N -2.92 3.22 0.08 0.56 0.08 -1.26 -5.06 117.98 112.68 2oat s PHE 200 Ca 0.61 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 57.31 2oat s PHE 200 Cb -0.17 -1.49 -0.10 0.00 -0.57 0.00 0.00 43.02 40.70 2oat s PHE 200 CO 0.56 0.51 1.86 1.41 -0.10 0.00 0.00 175.22 179.46 2oat s MET 201 N -3.63 4.14 0.82 0.44 -2.45 -1.26 -4.98 119.30 112.38 2oat s MET 201 Ca 0.33 2.57 -0.11 0.00 -1.25 0.00 0.00 55.69 57.23 2oat s MET 201 Cb -0.09 -3.82 0.08 0.00 1.25 0.00 0.00 34.83 32.26 2oat s MET 201 CO 0.26 -0.88 1.09 -1.25 1.05 0.00 0.00 175.02 175.29 2oat s PRO 202 N 3.41 1.93 -0.07 4.11 0.04 -1.26 -4.16 135.00 138.99 2oat s PRO 202 Ca 0.83 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2oat s PRO 202 Cb -0.44 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2oat s PRO 202 CO 0.38 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.06 2oat n GLY 203 N -1.71 0.47 3.32 0.56 0.00 -1.26 -5.01 105.19 101.56 2oat n GLY 203 Ca 0.07 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2oat n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oat s PHE 204 N -2.00 3.15 0.02 1.61 0.40 -1.26 -0.65 117.98 119.26 2oat s PHE 204 Ca 0.00 -1.11 0.03 0.00 -0.60 0.00 0.00 56.93 55.24 2oat s PHE 204 Cb 0.00 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2oat s PHE 204 CO 0.00 -0.62 -0.02 -0.51 0.70 0.00 0.00 175.22 174.77 2oat s ASP 205 N 1.46 4.95 -0.06 1.36 1.01 -0.16 -4.98 116.67 120.25 2oat s ASP 205 Ca 0.02 -0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.25 2oat s ASP 205 Cb -0.17 -1.23 -0.01 0.00 1.01 0.00 0.00 42.92 42.52 2oat s ASP 205 CO 0.02 0.26 -0.24 -0.63 0.21 0.00 0.00 175.17 174.78 2oat s ILE 206 N -1.11 2.12 0.18 0.77 1.01 -1.26 -0.30 121.20 122.61 2oat s ILE 206 Ca 0.20 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2oat s ILE 206 Cb -0.11 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2oat s ILE 206 CO 0.11 0.57 -0.11 0.27 0.00 0.00 0.00 174.94 175.78 2oat s ILE 207 N -0.20 1.42 0.58 2.92 -4.36 -0.52 -4.93 121.20 116.11 2oat s ILE 207 Ca -0.02 -2.13 -0.20 0.00 -0.26 0.00 0.00 60.65 58.04 2oat s ILE 207 Cb -0.13 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2oat s ILE 207 CO 0.03 -0.63 1.34 -2.84 0.24 0.00 0.00 174.94 173.09 2oat s PRO 208 N -3.71 2.94 0.83 0.37 0.02 -1.26 0.33 135.00 134.51 2oat s PRO 208 Ca 0.21 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.30 2oat s PRO 208 Cb 0.01 -2.12 0.09 0.00 0.02 0.00 0.00 34.50 32.50 2oat s PRO 208 CO 0.04 -1.33 1.11 -0.47 -0.33 0.00 0.00 177.00 176.02 2oat s TYR 209 N -1.33 2.74 -1.57 6.54 5.04 -1.26 -4.05 117.35 123.47 2oat s TYR 209 Ca 0.75 1.09 -0.10 0.00 -2.44 0.00 0.00 57.07 56.38 2oat s TYR 209 Cb -0.40 -3.18 0.08 0.00 0.35 0.00 0.00 41.96 38.81 2oat s TYR 209 CO 0.45 -1.93 0.59 -1.71 -1.34 0.00 0.00 175.55 171.62 2oat n ASN 210 N -3.52 -1.83 -3.43 4.32 5.15 -1.26 -4.93 115.26 109.76 2oat n ASN 210 Ca 0.07 -1.02 -0.23 0.00 -0.60 0.00 0.00 54.58 52.80 2oat n ASN 210 Cb 0.57 -2.84 -0.11 0.00 -0.53 0.00 0.00 39.78 36.87 2oat n ASN 210 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2oat s ASP 211 N -3.81 2.24 0.04 1.20 -1.08 -1.26 -4.91 116.67 109.09 2oat s ASP 211 Ca 0.38 -1.55 -0.23 0.00 -0.52 0.00 0.00 52.55 50.63 2oat s ASP 211 Cb -0.21 0.10 -0.16 0.00 -1.46 0.00 0.00 42.92 41.19 2oat s ASP 211 CO 0.91 -0.33 1.49 -0.07 0.52 0.00 0.00 175.17 177.69 2oat h LEU 212 N 7.52 0.10 -0.82 -1.34 4.07 -1.92 -2.36 115.31 120.57 2oat h LEU 212 Ca -0.03 -0.28 0.07 0.00 0.08 0.00 0.00 57.88 57.72 2oat h LEU 212 Cb 1.02 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 2oat h LEU 212 CO 0.29 0.36 0.49 -0.65 -1.08 0.00 0.00 178.44 177.85 2oat h PRO 213 N -0.16 0.85 -0.62 1.13 0.11 -1.99 0.60 132.00 131.92 2oat h PRO 213 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2oat h PRO 213 Cb 0.30 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2oat h PRO 213 CO 0.00 0.56 0.39 0.00 -0.21 0.00 0.00 178.00 178.75 2oat h ALA 214 N 1.41 0.78 0.08 -0.75 0.00 -1.92 -0.79 119.26 118.08 2oat h ALA 214 Ca 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2oat h ALA 214 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2oat h ALA 214 CO -0.19 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 2oat h LEU 215 N 0.84 -0.13 -0.73 0.00 6.46 -0.76 -0.35 115.31 120.63 2oat h LEU 215 Ca 0.22 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 58.10 2oat h LEU 215 Cb -0.06 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 39.84 2oat h LEU 215 CO -0.05 -0.08 0.36 -0.08 -0.62 0.00 0.00 178.44 177.97 2oat h GLU 216 N -0.13 0.57 -0.47 1.25 4.81 -0.64 -0.36 114.58 119.61 2oat h GLU 216 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2oat h GLU 216 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2oat h GLU 216 CO 0.00 0.38 0.30 -0.09 -0.73 0.00 0.00 179.01 178.87 2oat h ARG 217 N 0.59 0.60 -0.63 1.92 2.43 -0.87 -2.76 114.38 115.66 2oat h ARG 217 Ca 0.37 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 2oat h ARG 217 Cb 0.43 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2oat h ARG 217 CO -0.30 0.39 0.09 0.00 -1.51 0.00 0.00 179.97 178.65 2oat h ALA 218 N 1.18 0.97 0.00 2.80 0.00 -0.30 -2.73 119.26 121.19 2oat h ALA 218 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2oat h ALA 218 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2oat h ALA 218 CO -0.05 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2oat n LEU 219 N -4.22 0.00 0.20 0.00 4.77 -0.22 -2.48 117.00 115.06 2oat n LEU 219 Ca 0.04 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 2oat n LEU 219 Cb 0.29 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.79 2oat n LEU 219 CO 0.43 0.00 0.74 1.56 -1.33 0.00 0.00 177.39 178.79 2oat h GLN 220 N 0.00 0.00 -6.22 3.23 1.08 -1.36 -3.41 115.11 108.44 2oat h GLN 220 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 2oat h GLN 220 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2oat h GLN 220 CO 0.00 0.32 0.88 0.34 -0.95 0.00 0.00 178.83 179.42 2oat s ASP 221 N -6.41 6.91 0.00 1.46 -1.08 -1.03 -4.88 116.67 111.63 2oat s ASP 221 Ca -0.01 1.36 0.10 0.00 -0.52 0.00 0.00 52.55 53.49 2oat s ASP 221 Cb 0.11 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.50 2oat s ASP 221 CO 0.67 -0.84 1.30 -0.81 0.52 0.00 0.00 175.17 176.00 2oat n PRO 222 N 6.77 0.05 0.00 4.34 -0.04 -1.26 -1.93 135.00 142.93 2oat n PRO 222 Ca 0.13 0.28 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 2oat n PRO 222 Cb 0.46 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.09 2oat n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2oat n ASN 223 N -1.43 0.76 -4.69 3.54 3.02 -1.26 -4.78 115.26 110.41 2oat n ASN 223 Ca 0.03 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 53.08 2oat n ASN 223 Cb 0.11 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2oat n ASN 223 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oat s VAL 224 N -2.15 4.17 -0.14 2.41 1.01 -0.81 -0.81 120.40 124.08 2oat s VAL 224 Ca 0.38 1.51 0.17 0.00 0.00 0.00 0.00 61.98 64.04 2oat s VAL 224 Cb 0.21 -3.97 -0.24 0.00 0.00 0.00 0.00 36.38 32.38 2oat s VAL 224 CO 0.39 0.01 0.31 0.00 0.00 0.00 0.00 175.10 175.81 2oat n ALA 225 N 5.08 1.62 -3.61 5.51 0.00 0.64 -4.79 120.51 124.96 2oat n ALA 225 Ca 0.11 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.39 2oat n ALA 225 Cb 0.46 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2oat n ALA 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oat s ALA 226 N -2.62 -1.56 -0.11 0.00 0.00 -1.20 -0.91 121.76 115.37 2oat s ALA 226 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2oat s ALA 226 Cb 0.07 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.95 2oat s ALA 226 CO 0.83 -0.87 -0.09 0.12 0.00 0.00 0.00 175.76 175.75 2oat s PHE 227 N -3.58 1.56 -0.13 0.00 5.36 0.19 -0.90 117.98 120.46 2oat s PHE 227 Ca 0.06 -0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 55.26 2oat s PHE 227 Cb -0.02 -1.24 -0.03 0.00 -0.34 0.00 0.00 43.02 41.39 2oat s PHE 227 CO -0.04 -0.48 -0.06 1.41 -1.46 0.00 0.00 175.22 174.59 2oat s MET 228 N 1.45 3.45 -0.00 10.12 -2.45 -0.24 -0.19 119.30 131.44 2oat s MET 228 Ca 0.01 -0.56 -0.17 0.00 -1.25 0.00 0.00 55.69 53.72 2oat s MET 228 Cb -0.13 -2.80 0.03 0.00 1.25 0.00 0.00 34.83 33.18 2oat s MET 228 CO -0.06 0.31 0.37 0.54 1.05 0.00 0.00 175.02 177.24 2oat s VAL 229 N 0.14 0.05 -0.06 10.11 0.11 -0.14 -3.94 120.40 126.68 2oat s VAL 229 Ca -0.03 -0.44 -0.17 0.00 -2.93 0.00 0.00 61.98 58.41 2oat s VAL 229 Cb -0.14 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2oat s VAL 229 CO 0.03 -0.24 0.47 -1.61 -3.33 0.00 0.00 175.10 170.42 2oat s GLU 230 N -1.67 4.20 0.41 1.54 2.02 -1.26 -0.84 118.70 123.09 2oat s GLU 230 Ca -0.11 0.48 0.09 0.00 0.02 0.00 0.00 54.97 55.45 2oat s GLU 230 Cb -0.03 -3.34 0.86 0.00 0.10 0.00 0.00 34.13 31.72 2oat s GLU 230 CO 0.03 0.38 1.99 -1.35 0.02 0.00 0.00 175.26 176.33 2oat h PRO 231 N 5.81 0.32 -3.68 0.39 0.11 -1.97 -3.38 132.00 129.60 2oat h PRO 231 Ca -0.45 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.24 2oat h PRO 231 Cb 1.20 -0.06 -0.36 0.00 0.11 0.00 0.00 31.00 31.89 2oat h PRO 231 CO 0.70 0.33 -0.75 0.42 -0.21 0.00 0.00 178.00 178.48 2oat s ILE 232 N -5.03 0.21 -0.16 4.15 1.01 -1.26 -4.43 121.20 115.69 2oat s ILE 232 Ca -0.06 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2oat s ILE 232 Cb 0.16 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2oat s ILE 232 CO 0.73 0.18 1.19 -1.10 0.00 0.00 0.00 174.94 175.94 2oat s GLN 233 N 1.37 4.26 -0.02 2.79 -0.21 -0.56 -4.85 119.66 122.44 2oat s GLN 233 Ca -0.05 1.58 -0.01 0.00 0.02 0.00 0.00 55.36 56.90 2oat s GLN 233 Cb -0.13 -3.70 -0.01 0.00 1.00 0.00 0.00 33.01 30.17 2oat s GLN 233 CO -0.02 -0.64 0.17 0.78 -2.12 0.00 0.00 175.29 173.45 2oat h GLY 234 N 9.39 -0.05 2.00 3.09 0.00 -1.91 -0.40 103.07 115.19 2oat h GLY 234 Ca -0.26 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2oat h GLY 234 CO 0.96 -0.02 -0.11 0.83 0.00 0.00 0.00 176.54 178.20 2oat h GLU 235 N -0.24 0.00 0.00 4.80 4.39 -1.91 -1.25 114.58 120.36 2oat h GLU 235 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oat h GLU 235 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2oat h GLU 235 CO 0.01 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.97 2oat h ALA 236 N 1.89 1.00 0.00 3.43 0.00 -1.72 -3.44 119.26 120.41 2oat h ALA 236 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2oat h ALA 236 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2oat h ALA 236 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2oat n GLY 237 N -0.81 1.00 3.54 0.00 0.00 -0.54 -4.80 105.19 103.58 2oat n GLY 237 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2oat n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oat n VAL 238 N 0.00 -6.94 -3.19 1.61 0.31 -0.43 -4.89 118.33 104.80 2oat n VAL 238 Ca 0.00 -1.04 -0.42 0.00 -0.01 0.00 0.00 64.34 62.86 2oat n VAL 238 Cb 0.00 -5.05 -0.07 0.00 -0.91 0.00 0.00 33.84 27.81 2oat n VAL 238 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2oat s VAL 239 N -3.42 4.94 -0.28 2.52 1.01 -0.29 -4.61 120.40 120.27 2oat s VAL 239 Ca 0.45 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 2oat s VAL 239 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2oat s VAL 239 CO 0.82 -0.43 0.41 -0.69 0.00 0.00 0.00 175.10 175.22 2oat s VAL 240 N 2.55 5.14 0.74 2.92 1.01 -1.26 -1.50 120.40 130.00 2oat s VAL 240 Ca 0.19 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 2oat s VAL 240 Cb -0.15 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2oat s VAL 240 CO 0.16 0.11 1.07 -2.16 0.00 0.00 0.00 175.10 174.28 2oat s PRO 241 N 2.14 2.57 0.66 2.72 0.04 -1.26 -5.00 135.00 136.87 2oat s PRO 241 Ca 0.16 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 2oat s PRO 241 Cb -0.16 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2oat s PRO 241 CO 0.10 -1.36 1.18 -0.51 0.04 0.00 0.00 177.00 176.45 2oat s ASP 242 N -3.70 4.83 0.19 6.66 1.01 -1.26 -4.89 116.67 119.51 2oat s ASP 242 Ca 0.59 2.26 -0.32 0.00 0.71 0.00 0.00 52.55 55.79 2oat s ASP 242 Cb -0.15 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.04 2oat s ASP 242 CO 0.55 -1.83 1.08 -2.65 0.21 0.00 0.00 175.17 172.53 2oat n PRO 243 N -2.22 1.06 0.00 8.23 -0.02 -1.26 -1.08 135.00 139.71 2oat n PRO 243 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2oat n PRO 243 Cb 0.51 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2oat n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oat n GLY 244 N 1.85 2.17 0.08 -1.23 0.00 -1.26 -4.93 105.19 101.87 2oat n GLY 244 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2oat n GLY 244 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2oat h TYR 245 N 0.00 0.03 -0.77 1.61 3.20 -1.45 -1.26 116.97 118.33 2oat h TYR 245 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2oat h TYR 245 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2oat h TYR 245 CO 0.00 0.01 0.32 -0.07 -1.64 0.00 0.00 178.16 176.77 2oat h LEU 246 N 0.07 1.05 -0.72 2.82 3.38 -1.92 0.60 115.31 120.60 2oat h LEU 246 Ca 0.05 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2oat h LEU 246 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2oat h LEU 246 CO -0.08 0.93 -0.04 -0.03 0.09 0.00 0.00 178.44 179.31 2oat h MET 247 N 1.12 0.95 -0.46 1.13 4.05 -1.81 -2.00 114.93 117.91 2oat h MET 247 Ca 0.26 -0.30 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 2oat h MET 247 Cb 0.20 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2oat h MET 247 CO -0.02 0.96 -0.11 0.78 0.23 0.00 0.00 176.91 178.75 2oat h GLY 248 N 0.98 0.95 0.92 1.39 0.00 -0.77 -2.12 103.07 104.42 2oat h GLY 248 Ca 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 47.33 46.72 2oat h GLY 248 CO 0.03 0.72 0.31 -2.08 0.00 0.00 0.00 176.54 175.52 2oat h VAL 249 N 0.72 1.08 -0.15 4.60 2.07 -0.77 -2.04 116.25 121.74 2oat h VAL 249 Ca 0.12 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2oat h VAL 249 Cb 0.65 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2oat h VAL 249 CO 0.04 0.11 0.03 -0.09 0.02 0.00 0.00 177.57 177.69 2oat h ARG 250 N 0.63 0.10 -0.38 1.57 9.65 -1.22 -0.20 114.38 124.53 2oat h ARG 250 Ca 0.20 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.11 2oat h ARG 250 Cb -0.01 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 2oat h ARG 250 CO -0.08 0.06 0.16 1.49 2.80 0.00 0.00 179.97 184.41 2oat h GLU 251 N 0.10 0.33 -0.25 0.20 4.81 -1.31 -1.45 114.58 117.01 2oat h GLU 251 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2oat h GLU 251 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2oat h GLU 251 CO -0.09 0.22 0.10 -0.07 -0.73 0.00 0.00 179.01 178.45 2oat h LEU 252 N 0.34 0.34 -0.40 1.64 4.07 -1.10 -0.25 115.31 119.96 2oat h LEU 252 Ca 0.17 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.98 2oat h LEU 252 Cb 0.11 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 2oat h LEU 252 CO -0.14 0.41 0.25 0.00 -1.08 0.00 0.00 178.44 177.88 2oat h THR 254 N 0.51 1.19 -0.60 0.00 2.02 -1.15 0.15 112.91 115.03 2oat h THR 254 Ca 0.15 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.84 2oat h THR 254 Cb -0.03 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2oat h THR 254 CO -0.05 0.20 0.32 -0.09 0.37 0.00 0.00 175.52 176.28 2oat h ARG 255 N 0.53 0.59 -0.57 6.66 2.43 -0.80 -2.78 114.38 120.44 2oat h ARG 255 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2oat h ARG 255 Cb 0.15 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2oat h ARG 255 CO -0.02 0.39 0.00 0.72 -1.51 0.00 0.00 179.97 179.56 2oat n HIS 256 N -4.83 0.86 -3.59 2.20 8.25 -0.77 -4.93 115.22 112.42 2oat n HIS 256 Ca 0.07 -0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 56.92 2oat n HIS 256 Cb 0.16 -0.08 0.05 0.00 1.12 0.00 0.00 29.99 31.24 2oat n HIS 256 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2oat n GLN 257 N 0.95 -3.65 -5.04 -0.41 7.27 -0.60 -5.00 117.38 110.89 2oat n GLN 257 Ca 0.18 0.65 -0.29 0.00 0.07 0.00 0.00 57.00 57.61 2oat n GLN 257 Cb 0.54 -5.11 -0.16 0.00 2.41 0.00 0.00 30.24 27.92 2oat n GLN 257 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2oat s VAL 258 N -3.55 1.73 0.11 1.69 1.01 0.44 -4.91 120.40 116.92 2oat s VAL 258 Ca 0.20 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2oat s VAL 258 Cb -0.05 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.79 2oat s VAL 258 CO 0.80 0.49 1.24 -0.76 0.00 0.00 0.00 175.10 176.87 2oat s LEU 259 N -0.08 4.39 -0.53 3.92 1.43 -0.08 -4.34 118.68 123.38 2oat s LEU 259 Ca -0.03 2.15 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 2oat s LEU 259 Cb -0.12 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.56 2oat s LEU 259 CO 0.03 -0.48 0.74 0.12 0.23 0.00 0.00 176.35 176.99 2oat s PHE 260 N 0.74 2.95 -0.36 0.29 2.19 -1.26 -0.64 117.98 121.89 2oat s PHE 260 Ca 0.58 -0.40 -0.15 0.00 0.33 0.00 0.00 56.93 57.29 2oat s PHE 260 Cb -0.32 -3.76 -0.01 0.00 -1.31 0.00 0.00 43.02 37.62 2oat s PHE 260 CO 0.32 -1.18 0.35 0.42 1.83 0.00 0.00 175.22 176.96 2oat s ILE 261 N 3.10 5.19 -0.31 3.12 1.01 0.73 -0.79 121.20 133.25 2oat s ILE 261 Ca 0.20 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 2oat s ILE 261 Cb -0.17 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2oat s ILE 261 CO 0.14 -0.13 0.24 0.00 0.00 0.00 0.00 174.94 175.18 2oat s ALA 262 N 1.96 3.52 -0.60 9.38 0.00 -0.35 -0.96 121.76 134.70 2oat s ALA 262 Ca 0.10 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 2oat s ALA 262 Cb -0.17 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.41 2oat s ALA 262 CO 0.12 -0.77 0.89 0.34 0.00 0.00 0.00 175.76 176.33 2oat s ASP 263 N 1.73 6.22 -0.25 0.00 -1.08 -0.02 -1.76 116.67 121.52 2oat s ASP 263 Ca 0.08 -0.86 0.13 0.00 -0.52 0.00 0.00 52.55 51.38 2oat s ASP 263 Cb -0.17 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.51 2oat s ASP 263 CO 0.11 -1.28 1.57 -0.62 0.52 0.00 0.00 175.17 175.46 2oat n GLU 264 N 7.31 3.11 -0.35 4.34 -0.58 -0.40 -4.28 120.64 129.79 2oat n GLU 264 Ca -0.03 -3.00 0.02 0.00 -0.42 0.00 0.00 57.16 53.73 2oat n GLU 264 Cb 0.46 -1.98 0.17 0.00 -0.57 0.00 0.00 31.44 29.52 2oat n GLU 264 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2oat h ILE 265 N 2.07 1.05 0.04 -3.67 2.04 -1.81 0.12 117.51 117.36 2oat h ILE 265 Ca 0.12 -0.37 -0.38 0.00 1.00 0.00 0.00 64.86 65.23 2oat h ILE 265 Cb 1.78 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2oat h ILE 265 CO 0.42 0.20 -2.29 0.00 0.00 0.00 0.00 178.15 176.48 2oat n GLN 266 N -4.55 0.69 0.18 2.37 6.02 -1.26 -4.17 117.38 116.66 2oat n GLN 266 Ca 0.15 0.17 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 2oat n GLN 266 Cb 0.20 -1.59 0.10 0.00 1.02 0.00 0.00 30.24 29.97 2oat n GLN 266 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2oat h THR 267 N 0.02 0.36 -2.38 5.09 1.35 -1.82 -3.46 112.91 112.07 2oat h THR 267 Ca -0.52 -1.51 -0.15 0.00 -0.55 0.00 0.00 66.41 63.69 2oat h THR 267 Cb 1.98 2.16 0.07 0.00 -1.73 0.00 0.00 68.15 70.63 2oat h THR 267 CO -0.02 0.20 0.09 0.61 -0.25 0.00 0.00 175.52 176.15 2oat n GLY 268 N 1.16 -2.05 3.75 5.82 0.00 0.41 -3.73 105.19 110.54 2oat n GLY 268 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2oat n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 269 N 0.00 -2.70 0.00 0.99 4.77 0.52 -3.01 117.00 117.58 2oat n LEU 269 Ca 0.06 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2oat n LEU 269 Cb 0.22 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 2oat n LEU 269 CO 0.15 0.46 0.00 0.00 -1.33 0.00 0.00 177.39 176.67 2oat n ALA 270 N -4.25 0.00 0.14 -1.18 0.00 -0.69 -4.86 120.51 109.66 2oat n ALA 270 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.34 2oat n ALA 270 Cb 0.62 -0.12 0.54 0.00 0.00 0.00 0.00 19.45 20.49 2oat n ALA 270 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2oat h ARG 271 N 1.32 0.25 -0.48 0.00 9.65 -1.70 -2.14 114.38 121.28 2oat h ARG 271 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2oat h ARG 271 Cb 0.00 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 2oat h ARG 271 CO 0.00 0.17 0.00 0.25 2.80 0.00 0.00 179.97 183.19 2oat n THR 272 N -4.51 0.63 0.00 0.20 -2.24 -1.24 -1.31 114.28 105.80 2oat n THR 272 Ca -0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2oat n THR 272 Cb 0.08 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2oat n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oat n GLY 273 N 1.53 0.70 3.32 3.38 0.00 -0.80 -2.30 105.19 111.02 2oat n GLY 273 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2oat n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oat s ARG 274 N -0.61 1.48 0.20 1.61 1.81 -1.26 -4.44 118.95 117.74 2oat s ARG 274 Ca 0.00 -1.68 -0.11 0.00 -1.72 0.00 0.00 55.73 52.22 2oat s ARG 274 Cb 0.00 0.34 0.15 0.00 -0.45 0.00 0.00 34.95 34.99 2oat s ARG 274 CO 0.00 -0.54 1.85 -1.49 -0.68 0.00 0.00 175.30 174.44 2oat h TRP 275 N 2.39 0.80 -4.12 -0.53 4.06 -1.95 -1.84 115.95 114.76 2oat h TRP 275 Ca -0.31 0.02 -0.46 0.00 2.06 0.00 0.00 58.89 60.20 2oat h TRP 275 Cb 1.24 -0.27 -0.27 0.00 -1.00 0.00 0.00 29.16 28.87 2oat h TRP 275 CO 0.82 0.48 -0.80 -0.51 -3.56 0.00 0.00 178.44 174.87 2oat s LEU 276 N -10.17 2.10 0.46 -4.49 1.43 -1.26 -0.35 118.68 106.39 2oat s LEU 276 Ca -0.13 -0.35 0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2oat s LEU 276 Cb 0.14 -0.66 1.07 0.00 0.03 0.00 0.00 46.19 46.77 2oat s LEU 276 CO 0.76 0.11 2.05 0.00 0.23 0.00 0.00 176.35 179.50 2oat h ALA 277 N 5.39 1.95 0.00 4.21 0.00 -1.82 -0.77 119.26 128.21 2oat h ALA 277 Ca -0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2oat h ALA 277 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2oat h ALA 277 CO 0.47 -0.01 -0.01 -0.24 0.00 0.00 0.00 179.25 179.46 2oat h VAL 278 N 0.32 0.08 0.00 0.00 3.04 -1.94 -2.78 116.25 114.96 2oat h VAL 278 Ca 0.16 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.70 2oat h VAL 278 Cb 0.24 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2oat h VAL 278 CO -0.03 0.01 -0.19 0.44 -1.01 0.00 0.00 177.57 176.78 2oat h ASP 279 N 0.00 0.00 -0.39 3.17 3.32 -1.37 -2.16 116.42 119.00 2oat h ASP 279 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2oat h ASP 279 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2oat h ASP 279 CO 0.00 0.19 0.33 1.88 -1.72 0.00 0.00 179.24 179.92 2oat h TYR 280 N 0.00 0.00 -0.06 4.55 0.05 -1.67 -1.76 116.97 118.09 2oat h TYR 280 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2oat h TYR 280 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2oat h TYR 280 CO 0.00 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.50 2oat n GLU 281 N -4.11 1.71 -2.37 4.88 1.02 -0.85 -4.98 120.64 115.94 2oat n GLU 281 Ca 0.06 -2.58 -0.20 0.00 -0.02 0.00 0.00 57.16 54.43 2oat n GLU 281 Cb 0.51 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 2oat n GLU 281 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2oat n ASN 282 N -1.19 -5.63 -4.76 1.62 5.03 -0.66 -4.77 115.26 104.91 2oat n ASN 282 Ca 0.16 0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.27 2oat n ASN 282 Cb 0.67 -4.71 -0.06 0.00 -1.02 0.00 0.00 39.78 34.66 2oat n ASN 282 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2oat s VAL 283 N -2.97 5.22 -0.50 2.41 1.01 -0.99 -5.01 120.40 119.58 2oat s VAL 283 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2oat s VAL 283 Cb 0.00 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.82 2oat s VAL 283 CO 0.00 0.42 0.36 -0.60 0.00 0.00 0.00 175.10 175.28 2oat s ARG 284 N 0.12 2.47 0.86 2.72 3.52 -1.26 -4.53 118.95 122.85 2oat s ARG 284 Ca 0.21 -1.89 -0.11 0.00 -0.13 0.00 0.00 55.73 53.81 2oat s ARG 284 Cb -0.14 -3.89 0.11 0.00 -1.56 0.00 0.00 34.95 29.47 2oat s ARG 284 CO 0.08 -1.18 1.11 -2.14 -0.81 0.00 0.00 175.30 172.35 2oat s PRO 285 N 1.13 1.48 0.15 5.12 0.02 -1.26 -4.95 135.00 136.68 2oat s PRO 285 Ca 0.08 1.23 -0.02 0.00 0.02 0.00 0.00 61.00 62.30 2oat s PRO 285 Cb -0.24 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 2oat s PRO 285 CO -0.02 -2.21 1.36 -0.44 -0.33 0.00 0.00 177.00 175.36 2oat h ASP 286 N -1.54 0.47 -3.43 2.53 3.32 -1.33 -3.44 116.42 112.99 2oat h ASP 286 Ca -0.45 -0.36 -0.45 0.00 0.02 0.00 0.00 57.03 55.79 2oat h ASP 286 Cb 1.26 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.33 2oat h ASP 286 CO 0.48 1.14 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.73 2oat s ILE 287 N -3.37 0.73 -0.12 0.35 1.01 -0.89 -4.35 121.20 114.56 2oat s ILE 287 Ca -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2oat s ILE 287 Cb 0.10 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 2oat s ILE 287 CO 0.85 0.27 -0.14 -0.69 0.00 0.00 0.00 174.94 175.23 2oat s VAL 288 N 0.88 2.95 -0.15 2.92 1.01 0.00 -1.21 120.40 126.80 2oat s VAL 288 Ca -0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2oat s VAL 288 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2oat s VAL 288 CO 0.01 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 174.94 2oat s LEU 289 N 0.20 3.85 0.07 3.92 1.43 -0.72 -0.83 118.68 126.59 2oat s LEU 289 Ca -0.09 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 2oat s LEU 289 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2oat s LEU 289 CO 0.05 0.26 -0.15 -0.76 0.23 0.00 0.00 176.35 175.99 2oat s LEU 290 N -0.17 2.27 0.00 1.79 1.43 -0.28 -1.27 118.68 122.44 2oat s LEU 290 Ca 0.07 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2oat s LEU 290 Cb -0.12 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.55 2oat s LEU 290 CO 0.01 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2oat n GLY 291 N 1.34 3.34 6.34 -3.19 0.00 -1.26 -0.26 105.19 111.48 2oat n GLY 291 Ca -0.21 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2oat n GLY 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oat n LYS 292 N 0.00 0.00 0.06 1.61 5.02 -1.26 -0.61 118.16 122.98 2oat n LYS 292 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2oat n LYS 292 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.22 2oat n LYS 292 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oat n ALA 293 N 6.21 1.04 0.27 7.82 0.00 -1.18 -2.39 120.51 132.27 2oat n ALA 293 Ca 0.00 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.69 2oat n ALA 293 Cb 0.00 -1.12 0.87 0.00 0.00 0.00 0.00 19.45 19.20 2oat n ALA 293 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2oat h LEU 294 N 0.00 0.00 -1.15 0.00 5.85 -1.15 -1.62 115.31 117.24 2oat h LEU 294 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2oat h LEU 294 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2oat h LEU 294 CO 0.00 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.56 2oat n SER 295 N -3.25 1.05 -1.02 1.25 3.41 -1.00 -4.23 113.62 109.82 2oat n SER 295 Ca 0.00 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.38 2oat n SER 295 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2oat n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oat n GLY 296 N -0.05 1.38 1.58 5.00 0.00 -0.61 -2.13 105.19 110.36 2oat n GLY 296 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2oat n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oat n GLY 297 N -0.95 0.72 0.02 -0.02 0.00 -1.02 -4.53 105.19 99.41 2oat n GLY 297 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2oat n GLY 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 298 N 0.00 0.57 -3.63 0.99 4.32 -0.90 -4.95 117.00 113.38 2oat n LEU 298 Ca 0.00 0.02 -0.06 0.00 -0.02 0.00 0.00 56.01 55.95 2oat n LEU 298 Cb 0.00 -0.21 -0.06 0.00 -1.62 0.00 0.00 43.42 41.52 2oat n LEU 298 CO 0.00 0.09 0.94 -0.47 -1.22 0.00 0.00 177.39 176.72 2oat s TYR 299 N -3.05 -0.27 -0.51 -1.77 6.14 -1.26 -5.10 117.35 111.53 2oat s TYR 299 Ca 0.09 0.62 -0.28 0.00 0.64 0.00 0.00 57.07 58.14 2oat s TYR 299 Cb 0.16 0.43 0.01 0.00 0.42 0.00 0.00 41.96 42.98 2oat s TYR 299 CO 0.72 -0.15 1.42 -2.14 0.64 0.00 0.00 175.55 176.04 2oat s PRO 300 N -0.14 3.38 -0.08 4.97 0.02 -1.26 -4.61 135.00 137.29 2oat s PRO 300 Ca 0.05 0.64 0.01 0.00 0.02 0.00 0.00 61.00 61.72 2oat s PRO 300 Cb -0.04 -4.09 0.02 0.00 0.02 0.00 0.00 34.50 30.40 2oat s PRO 300 CO -0.09 -1.82 -0.11 0.08 -0.33 0.00 0.00 177.00 174.73 2oat s VAL 301 N 5.91 1.08 0.16 3.83 1.01 -0.68 -4.56 120.40 127.15 2oat s VAL 301 Ca 0.56 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2oat s VAL 301 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2oat s VAL 301 CO 0.28 0.35 -0.06 -0.94 0.00 0.00 0.00 175.10 174.73 2oat s SER 302 N 0.96 1.59 -0.02 3.32 1.04 -0.63 -3.98 113.70 115.99 2oat s SER 302 Ca -0.09 -1.08 -0.05 0.00 0.48 0.00 0.00 55.95 55.21 2oat s SER 302 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2oat s SER 302 CO 0.00 -0.43 0.11 0.00 0.98 0.00 0.00 173.24 173.90 2oat s ALA 303 N -3.45 -0.25 -0.28 5.32 0.00 0.64 -0.95 121.76 122.79 2oat s ALA 303 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2oat s ALA 303 Cb 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.21 2oat s ALA 303 CO 0.02 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.65 2oat s VAL 304 N -0.77 2.36 -0.16 0.00 1.01 -0.87 -1.12 120.40 120.84 2oat s VAL 304 Ca -0.09 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.17 2oat s VAL 304 Cb -0.05 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2oat s VAL 304 CO 0.01 -0.10 0.08 -0.76 0.00 0.00 0.00 175.10 174.32 2oat s LEU 305 N 1.11 3.94 0.02 3.92 1.43 -0.01 -0.46 118.68 128.64 2oat s LEU 305 Ca -0.06 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.94 2oat s LEU 305 Cb -0.20 -1.98 0.10 0.00 0.03 0.00 0.00 46.19 44.14 2oat s LEU 305 CO -0.04 0.25 0.95 0.00 0.23 0.00 0.00 176.35 177.74 2oat s ASP 307 N -2.60 5.36 0.27 0.00 1.01 -1.26 -2.13 116.67 117.33 2oat s ASP 307 Ca 0.08 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.67 2oat s ASP 307 Cb -0.01 -2.18 0.63 0.00 1.01 0.00 0.00 42.92 42.37 2oat s ASP 307 CO -0.06 -1.42 1.69 0.44 0.21 0.00 0.00 175.17 176.04 2oat h ASP 308 N -0.71 0.21 0.19 0.27 3.32 -1.95 -0.66 116.42 117.08 2oat h ASP 308 Ca -0.45 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2oat h ASP 308 Cb 1.24 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 2oat h ASP 308 CO 0.61 -0.01 -0.02 -2.24 -1.72 0.00 0.00 179.24 175.85 2oat h ASP 309 N 0.35 0.00 0.00 6.45 2.03 -1.98 -0.11 116.42 123.17 2oat h ASP 309 Ca 0.51 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.67 2oat h ASP 309 Cb 0.92 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.40 2oat h ASP 309 CO -0.52 0.02 -1.23 -0.38 -1.03 0.00 0.00 179.24 176.10 2oat n ILE 310 N -3.36 1.49 -0.24 4.15 5.41 -0.68 -4.56 119.36 121.57 2oat n ILE 310 Ca -0.02 0.03 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2oat n ILE 310 Cb 0.13 -2.22 0.16 0.00 -0.71 0.00 0.00 39.64 37.01 2oat n ILE 310 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2oat h MET 311 N -1.00 0.31 -0.08 0.38 4.05 -1.05 -1.51 114.93 116.02 2oat h MET 311 Ca -0.20 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2oat h MET 311 Cb 1.04 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2oat h MET 311 CO -0.12 0.20 0.00 1.28 0.23 0.00 0.00 176.91 178.50 2oat n LEU 312 N -5.10 0.08 0.23 3.39 4.77 -0.06 -2.92 117.00 117.39 2oat n LEU 312 Ca 0.13 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2oat n LEU 312 Cb 0.40 -0.04 0.44 0.00 -2.33 0.00 0.00 43.42 41.89 2oat n LEU 312 CO 0.16 0.02 0.83 0.71 -1.33 0.00 0.00 177.39 177.78 2oat h THR 313 N 0.00 0.33 -3.63 -5.08 1.35 -1.50 -3.40 112.91 100.97 2oat h THR 313 Ca 0.00 -1.02 -0.63 0.00 -0.55 0.00 0.00 66.41 64.21 2oat h THR 313 Cb 0.04 1.79 -0.14 0.00 -1.73 0.00 0.00 68.15 68.11 2oat h THR 313 CO 0.00 0.14 -0.09 -0.63 -0.25 0.00 0.00 175.52 174.69 2oat s ILE 314 N -3.53 5.08 0.52 6.82 1.01 -1.15 -4.94 121.20 125.02 2oat s ILE 314 Ca 0.02 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 2oat s ILE 314 Cb 0.09 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2oat s ILE 314 CO 0.62 0.01 0.77 -0.54 0.00 0.00 0.00 174.94 175.80 2oat s LYS 315 N 2.26 2.82 0.04 2.79 -0.14 -1.26 -4.97 119.74 121.28 2oat s LYS 315 Ca 0.18 -0.47 -0.36 0.00 -1.36 0.00 0.00 55.97 53.96 2oat s LYS 315 Cb -0.16 -2.46 -0.15 0.00 -1.68 0.00 0.00 37.83 33.39 2oat s LYS 315 CO 0.11 -0.55 1.56 -2.30 -0.76 0.00 0.00 175.35 173.41 2oat n PRO 316 N -2.31 1.67 -0.02 -1.68 -0.02 -1.26 -1.06 135.00 130.32 2oat n PRO 316 Ca 0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2oat n PRO 316 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2oat n PRO 316 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oat n GLY 317 N 3.34 0.73 0.56 -1.23 0.00 -1.26 -4.92 105.19 102.41 2oat n GLY 317 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2oat n GLY 317 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oat n GLU 318 N -2.00 1.72 -3.59 1.61 1.02 -0.23 -4.93 120.64 114.24 2oat n GLU 318 Ca 0.00 -1.13 -0.10 0.00 -0.02 0.00 0.00 57.16 55.92 2oat n GLU 318 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 2oat n GLU 318 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2oat s HIS 319 N -2.05 -0.36 0.00 -0.32 2.46 -1.26 -4.96 115.29 108.79 2oat s HIS 319 Ca 0.34 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.57 2oat s HIS 319 Cb 0.21 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 33.09 2oat s HIS 319 CO 0.35 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.73 2oat n GLY 320 N 1.04 0.73 3.64 1.59 0.00 -1.26 -5.06 105.19 105.87 2oat n GLY 320 Ca -0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 2oat n GLY 320 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oat s SER 321 N 0.46 -0.19 0.09 1.61 0.15 -1.26 -5.02 113.70 109.55 2oat s SER 321 Ca 0.00 0.34 -0.33 0.00 0.70 0.00 0.00 55.95 56.66 2oat s SER 321 Cb 0.00 0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 64.50 2oat s SER 321 CO 0.00 -0.08 1.59 0.74 1.20 0.00 0.00 173.24 176.69 2oat h THR 322 N 3.07 0.16 -0.00 6.45 2.02 -2.02 -3.17 112.91 119.42 2oat h THR 322 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2oat h THR 322 Cb 1.19 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2oat h THR 322 CO 0.17 0.00 -0.36 -1.22 0.37 0.00 0.00 175.52 174.48 2oat n TYR 323 N -5.52 0.00 -1.87 3.16 4.02 -1.26 -4.58 117.16 111.11 2oat n TYR 323 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 2oat n TYR 323 Cb 0.41 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 2oat n TYR 323 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2oat s GLY 324 N -2.91 1.56 0.00 2.72 0.00 -1.20 -2.17 107.32 105.32 2oat s GLY 324 Ca 0.14 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.30 2oat s GLY 324 CO 0.64 2.67 0.00 0.61 0.00 0.00 0.00 173.10 177.01 2oat n GLY 325 N 3.60 0.48 3.75 0.20 0.00 -1.26 -4.75 105.19 107.21 2oat n GLY 325 Ca 0.14 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2oat n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat s ASN 326 N -2.21 5.20 0.51 1.61 2.20 -0.92 -4.68 114.94 116.65 2oat s ASN 326 Ca 0.00 2.65 0.20 0.00 -0.94 0.00 0.00 52.86 54.77 2oat s ASN 326 Cb 0.00 -2.62 1.33 0.00 -2.00 0.00 0.00 41.25 37.95 2oat s ASN 326 CO 0.00 -1.61 2.12 1.55 -2.94 0.00 0.00 177.10 176.22 2oat h PRO 327 N 1.25 0.00 -0.10 3.55 0.13 -1.87 -2.02 132.00 132.95 2oat h PRO 327 Ca -0.51 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2oat h PRO 327 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2oat h PRO 327 CO 0.56 0.07 -0.20 1.25 -0.23 0.00 0.00 178.00 179.45 2oat h LEU 328 N 0.00 0.34 -1.05 1.56 5.85 -1.75 -1.95 115.31 118.31 2oat h LEU 328 Ca -0.00 -0.56 -0.08 0.00 0.84 0.00 0.00 57.88 58.07 2oat h LEU 328 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2oat h LEU 328 CO 0.01 0.84 -0.22 1.23 -0.34 0.00 0.00 178.44 179.96 2oat h GLY 329 N -0.14 0.44 0.93 3.75 0.00 -1.82 -2.69 103.07 103.54 2oat h GLY 329 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2oat h GLY 329 CO 0.04 0.31 0.07 0.00 0.00 0.00 0.00 176.54 176.97 2oat h ARG 331 N 0.47 0.77 -0.02 0.00 2.47 -1.25 0.52 114.38 117.34 2oat h ARG 331 Ca 0.12 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.67 2oat h ARG 331 Cb 0.34 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 2oat h ARG 331 CO 0.00 0.51 -0.56 -0.39 0.56 0.00 0.00 179.97 180.10 2oat h VAL 332 N 0.79 1.39 -0.23 2.04 -1.51 -1.23 -2.70 116.25 114.81 2oat h VAL 332 Ca 0.33 -1.90 -0.08 0.00 -1.23 0.00 0.00 66.70 63.81 2oat h VAL 332 Cb 0.18 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2oat h VAL 332 CO -0.18 0.55 -0.17 0.00 -1.23 0.00 0.00 177.57 176.54 2oat h ALA 333 N 1.40 0.33 -0.55 5.19 0.00 -0.48 0.10 119.26 125.26 2oat h ALA 333 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2oat h ALA 333 Cb 1.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2oat h ALA 333 CO 0.08 0.23 0.30 0.82 0.00 0.00 0.00 179.25 180.68 2oat h ILE 334 N 0.22 1.00 -0.52 0.00 2.04 -0.84 -1.06 117.51 118.35 2oat h ILE 334 Ca 0.04 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2oat h ILE 334 Cb 0.70 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2oat h ILE 334 CO 0.04 0.11 0.11 0.00 0.00 0.00 0.00 178.15 178.41 2oat h ALA 335 N 1.27 0.68 -0.34 1.87 0.00 -1.30 -1.27 119.26 120.17 2oat h ALA 335 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2oat h ALA 335 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2oat h ALA 335 CO -0.14 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 2oat h ALA 336 N 0.99 1.31 -0.16 0.00 0.00 -0.33 -1.56 119.26 119.51 2oat h ALA 336 Ca 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2oat h ALA 336 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oat h ALA 336 CO 0.01 0.47 -0.68 -0.07 0.00 0.00 0.00 179.25 178.97 2oat h LEU 337 N 0.52 0.75 -0.85 0.00 3.38 -0.88 -3.03 115.31 115.20 2oat h LEU 337 Ca 0.11 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2oat h LEU 337 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2oat h LEU 337 CO 0.02 1.22 0.11 -0.33 0.09 0.00 0.00 178.44 179.55 2oat h GLU 338 N 0.46 0.97 -0.63 1.13 5.08 -0.82 -2.25 114.58 118.51 2oat h GLU 338 Ca -0.02 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2oat h GLU 338 Cb 1.27 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2oat h GLU 338 CO 0.13 0.88 0.36 0.28 -1.00 0.00 0.00 179.01 179.67 2oat h VAL 339 N 0.91 1.19 -0.36 3.13 2.07 -1.29 0.20 116.25 122.12 2oat h VAL 339 Ca 0.19 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2oat h VAL 339 Cb 0.38 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2oat h VAL 339 CO 0.01 0.21 0.21 -0.07 0.02 0.00 0.00 177.57 177.94 2oat h LEU 340 N 0.86 0.33 0.27 2.57 3.38 -1.35 -0.56 115.31 120.81 2oat h LEU 340 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2oat h LEU 340 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2oat h LEU 340 CO -0.04 0.24 -0.13 -0.08 0.09 0.00 0.00 178.44 178.52 2oat h GLU 341 N 0.42 -0.35 -0.51 1.13 4.81 -1.03 -2.78 114.58 116.25 2oat h GLU 341 Ca 0.14 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2oat h GLU 341 Cb 0.01 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2oat h GLU 341 CO -0.07 -0.01 0.27 0.93 -0.73 0.00 0.00 179.01 179.40 2oat h GLU 342 N -0.90 0.71 -0.51 1.92 5.08 -0.62 -2.39 114.58 117.86 2oat h GLU 342 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2oat h GLU 342 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2oat h GLU 342 CO 0.06 0.54 0.00 0.39 -1.00 0.00 0.00 179.01 179.00 2oat n GLU 343 N -4.39 2.33 -4.03 2.33 1.02 -0.22 -4.96 120.64 112.71 2oat n GLU 343 Ca 0.04 -2.05 -0.29 0.00 -0.02 0.00 0.00 57.16 54.84 2oat n GLU 343 Cb 0.11 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2oat n GLU 343 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2oat n ASN 344 N 1.19 -0.73 0.20 1.62 3.02 -0.90 -4.86 115.26 114.79 2oat n ASN 344 Ca 0.19 -1.10 0.07 0.00 -0.03 0.00 0.00 54.58 53.71 2oat n ASN 344 Cb 0.50 -2.59 0.39 0.00 -0.61 0.00 0.00 39.78 37.47 2oat n ASN 344 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2oat h LEU 345 N -1.89 0.00 -0.23 3.41 3.38 -1.77 -2.82 115.31 115.38 2oat h LEU 345 Ca -0.65 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2oat h LEU 345 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2oat h LEU 345 CO 0.62 0.33 0.05 0.00 0.09 0.00 0.00 178.44 179.53 2oat h ALA 346 N 1.67 0.30 -0.62 1.53 0.00 -1.80 -0.24 119.26 120.11 2oat h ALA 346 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2oat h ALA 346 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2oat h ALA 346 CO 0.04 -0.03 0.37 1.49 0.00 0.00 0.00 179.25 181.12 2oat h GLU 347 N 0.19 0.84 -0.26 0.00 4.81 -1.75 -1.10 114.58 117.31 2oat h GLU 347 Ca 0.07 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2oat h GLU 347 Cb 0.30 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2oat h GLU 347 CO 0.00 0.60 0.09 -0.97 -0.73 0.00 0.00 179.01 178.00 2oat h ASN 348 N 0.83 0.10 0.02 1.04 -1.24 -1.31 0.04 115.58 115.06 2oat h ASN 348 Ca 0.22 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 2oat h ASN 348 Cb -0.02 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2oat h ASN 348 CO -0.04 0.09 -0.10 0.00 -1.29 0.00 0.00 177.43 176.09 2oat h ALA 349 N 1.16 1.58 0.08 1.57 0.00 -0.66 0.13 119.26 123.13 2oat h ALA 349 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2oat h ALA 349 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2oat h ALA 349 CO -0.12 0.31 -0.04 0.22 0.00 0.00 0.00 179.25 179.62 2oat h ASP 350 N 0.20 -0.09 -0.28 0.00 3.58 -0.57 -0.50 116.42 118.76 2oat h ASP 350 Ca 0.04 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 2oat h ASP 350 Cb 0.31 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2oat h ASP 350 CO 0.02 0.51 0.13 0.11 -2.88 0.00 0.00 179.24 177.13 2oat h LYS 351 N -0.76 0.40 0.00 0.28 1.57 -0.85 -2.61 116.57 114.60 2oat h LYS 351 Ca -0.01 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2oat h LYS 351 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2oat h LYS 351 CO 0.02 0.39 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.71 2oat h LEU 352 N 0.32 0.00 -1.02 2.94 3.38 -0.84 -2.89 115.31 117.20 2oat h LEU 352 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2oat h LEU 352 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2oat h LEU 352 CO -0.01 0.50 0.05 1.23 0.09 0.00 0.00 178.44 180.30 2oat h GLY 353 N 1.57 0.80 0.96 0.83 0.00 -0.85 -1.45 103.07 104.94 2oat h GLY 353 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.84 2oat h GLY 353 CO 0.07 0.46 0.37 -2.22 0.00 0.00 0.00 176.54 175.22 2oat h ILE 354 N 0.71 1.12 0.23 2.60 1.08 -1.25 -1.06 117.51 120.93 2oat h ILE 354 Ca 0.15 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2oat h ILE 354 Cb 0.37 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2oat h ILE 354 CO 0.01 0.14 -0.11 0.40 -0.69 0.00 0.00 178.15 177.90 2oat h ILE 355 N 0.75 0.80 -0.34 -0.67 2.04 -1.47 0.69 117.51 119.31 2oat h ILE 355 Ca 0.22 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2oat h ILE 355 Cb -0.05 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 2oat h ILE 355 CO -0.07 0.03 -0.40 0.25 0.00 0.00 0.00 178.15 177.97 2oat h LEU 356 N -0.38 -1.30 -0.74 1.44 6.46 -1.01 0.20 115.31 119.98 2oat h LEU 356 Ca -0.03 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2oat h LEU 356 Cb 0.29 0.57 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 2oat h LEU 356 CO 0.05 -0.37 0.39 0.03 -0.62 0.00 0.00 178.44 177.92 2oat h ARG 357 N -0.35 1.03 -0.84 1.25 3.08 -1.07 -0.29 114.38 117.20 2oat h ARG 357 Ca 0.13 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2oat h ARG 357 Cb 0.58 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2oat h ARG 357 CO -0.52 0.78 0.44 -0.91 -1.07 0.00 0.00 179.97 178.69 2oat h ASN 358 N 1.02 1.06 0.10 7.04 2.35 0.17 -1.15 115.58 126.16 2oat h ASN 358 Ca 0.26 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.71 2oat h ASN 358 Cb 0.06 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2oat h ASN 358 CO -0.04 0.87 -0.71 -0.33 -1.65 0.00 0.00 177.43 175.57 2oat h GLU 359 N 1.18 0.55 -0.01 0.81 4.39 -0.34 -3.13 114.58 118.03 2oat h GLU 359 Ca 0.29 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2oat h GLU 359 Cb 0.06 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2oat h GLU 359 CO -0.04 1.05 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.40 2oat h LEU 360 N 0.38 0.02 -0.28 1.33 3.38 -0.73 -2.68 115.31 116.72 2oat h LEU 360 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2oat h LEU 360 Cb 1.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2oat h LEU 360 CO 0.13 0.40 0.00 0.23 0.09 0.00 0.00 178.44 179.29 2oat n MET 361 N -4.08 0.11 0.24 1.13 2.81 -0.46 -2.40 117.12 114.47 2oat n MET 361 Ca -0.02 0.29 0.13 0.00 -1.81 0.00 0.00 57.70 56.30 2oat n MET 361 Cb 0.42 -1.69 0.42 0.00 -0.71 0.00 0.00 33.22 31.66 2oat n MET 361 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2oat h LYS 362 N 0.00 0.00 -7.18 0.03 1.57 -1.53 -3.45 116.57 106.00 2oat h LYS 362 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2oat h LYS 362 Cb 0.38 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.86 2oat h LYS 362 CO 0.00 0.06 0.39 -0.51 -0.57 0.00 0.00 179.45 178.82 2oat s LEU 363 N -6.28 3.26 0.35 2.94 1.43 -1.01 -4.90 118.68 114.47 2oat s LEU 363 Ca 0.04 2.42 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 2oat s LEU 363 Cb 0.07 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.59 2oat s LEU 363 CO 0.62 -2.46 1.42 -2.84 0.23 0.00 0.00 176.35 173.31 2oat s PRO 364 N -3.93 4.21 0.00 1.29 0.02 -1.26 -4.83 135.00 130.49 2oat s PRO 364 Ca 0.75 2.42 0.19 0.00 0.02 0.00 0.00 61.00 64.38 2oat s PRO 364 Cb -0.31 -3.02 0.96 0.00 0.02 0.00 0.00 34.50 32.15 2oat s PRO 364 CO 0.47 -0.40 1.58 0.43 -0.33 0.00 0.00 177.00 178.76 2oat n SER 365 N 0.76 0.00 -0.77 2.53 7.64 -1.26 -0.88 113.62 121.65 2oat n SER 365 Ca 0.01 0.02 0.12 0.00 1.01 0.00 0.00 58.87 60.03 2oat n SER 365 Cb 0.40 -0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 2oat n SER 365 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oat n ASP 366 N -1.29 2.58 -0.03 6.43 5.75 -1.26 -4.34 116.55 124.39 2oat n ASP 366 Ca 0.09 -1.79 -0.07 0.00 -0.01 0.00 0.00 54.79 53.00 2oat n ASP 366 Cb 0.15 0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2oat n ASP 366 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2oat n VAL 367 N 0.78 0.47 -3.83 2.12 0.31 -0.56 -4.72 118.33 112.90 2oat n VAL 367 Ca 0.12 -0.07 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 2oat n VAL 367 Cb 0.54 -1.61 -0.13 0.00 -0.91 0.00 0.00 33.84 31.73 2oat n VAL 367 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2oat s VAL 368 N -2.14 3.28 0.13 2.52 1.01 -0.06 -0.99 120.40 124.15 2oat s VAL 368 Ca -0.10 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.32 2oat s VAL 368 Cb 0.04 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 2oat s VAL 368 CO 0.13 -0.26 1.37 0.74 0.00 0.00 0.00 175.10 177.07 2oat h THR 369 N 6.36 1.30 -3.16 3.92 2.02 -1.14 -3.36 112.91 118.86 2oat h THR 369 Ca -0.20 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 64.95 2oat h THR 369 Cb 1.06 1.94 -0.15 0.00 -1.74 0.00 0.00 68.15 69.26 2oat h THR 369 CO 0.59 0.62 -0.10 0.00 0.37 0.00 0.00 175.52 176.99 2oat s ALA 370 N -3.80 -0.96 -0.08 6.16 0.00 -1.15 -4.98 121.76 116.95 2oat s ALA 370 Ca -0.09 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2oat s ALA 370 Cb 0.09 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2oat s ALA 370 CO 0.88 -0.51 -0.11 0.08 0.00 0.00 0.00 175.76 176.10 2oat s VAL 371 N -2.91 1.14 0.18 0.00 1.01 -1.26 -1.31 120.40 117.25 2oat s VAL 371 Ca -0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2oat s VAL 371 Cb 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2oat s VAL 371 CO -0.05 0.37 0.35 0.00 0.00 0.00 0.00 175.10 175.76 2oat s ARG 372 N 0.98 1.25 0.00 2.72 1.70 -0.27 -5.01 118.95 120.31 2oat s ARG 372 Ca -0.08 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 2oat s ARG 372 Cb -0.15 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2oat s ARG 372 CO -0.00 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 2oat n GLY 373 N -0.26 0.99 2.93 3.88 0.00 -1.26 -1.12 105.19 110.35 2oat n GLY 373 Ca -0.07 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 2oat n GLY 373 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat s LYS 374 N -1.00 0.28 5.50 1.61 1.02 -0.95 -4.98 119.74 121.22 2oat s LYS 374 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.87 2oat s LYS 374 Cb 0.00 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 2oat s LYS 374 CO 0.00 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2oat n GLY 375 N 3.02 3.13 1.84 -3.33 0.00 -0.97 -1.23 105.19 107.66 2oat n GLY 375 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 2oat n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 376 N 0.00 5.54 -4.18 0.99 4.32 -0.43 -4.12 117.00 119.12 2oat n LEU 376 Ca 0.00 -2.86 -0.40 0.00 -0.02 0.00 0.00 56.01 52.73 2oat n LEU 376 Cb 0.00 -0.70 -0.08 0.00 -1.62 0.00 0.00 43.42 41.02 2oat n LEU 376 CO 0.00 0.69 0.11 -0.22 -1.22 0.00 0.00 177.39 176.75 2oat s LEU 377 N -2.60 5.71 0.27 2.23 2.96 -0.36 -4.19 118.68 122.71 2oat s LEU 377 Ca 0.49 -2.57 0.04 0.00 -0.22 0.00 0.00 54.13 51.88 2oat s LEU 377 Cb 0.39 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2oat s LEU 377 CO 0.13 -0.50 0.01 0.20 -1.32 0.00 0.00 176.35 174.87 2oat s ASN 378 N 1.54 2.17 0.04 3.68 0.01 -1.00 -2.24 114.94 119.14 2oat s ASN 378 Ca 0.14 -1.27 -0.20 0.00 -0.71 0.00 0.00 52.86 50.82 2oat s ASN 378 Cb -0.19 -0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.46 2oat s ASN 378 CO -0.04 -0.52 0.46 0.00 -1.51 0.00 0.00 177.10 175.48 2oat s ALA 379 N -3.31 -1.14 0.08 0.60 0.00 -0.27 -0.24 121.76 117.48 2oat s ALA 379 Ca 0.32 0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.79 2oat s ALA 379 Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2oat s ALA 379 CO 0.12 -0.47 -0.22 0.96 0.00 0.00 0.00 175.76 176.15 2oat s ILE 380 N -2.45 1.77 -0.16 0.00 -4.36 0.40 -1.12 121.20 115.28 2oat s ILE 380 Ca -0.05 -1.41 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2oat s ILE 380 Cb -0.01 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 2oat s ILE 380 CO -0.02 0.09 -0.07 -0.69 0.24 0.00 0.00 174.94 174.49 2oat s VAL 381 N -0.98 3.49 0.25 8.37 1.01 -0.43 -1.09 120.40 131.01 2oat s VAL 381 Ca 0.08 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2oat s VAL 381 Cb -0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2oat s VAL 381 CO 0.03 0.49 0.15 0.27 0.00 0.00 0.00 175.10 176.04 2oat s ILE 382 N 0.58 4.22 -1.29 2.22 -4.36 0.32 -0.75 121.20 122.13 2oat s ILE 382 Ca -0.05 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 2oat s ILE 382 Cb -0.15 -3.27 0.09 0.00 1.25 0.00 0.00 42.46 40.38 2oat s ILE 382 CO 0.03 -0.34 1.71 1.17 0.24 0.00 0.00 174.94 177.75 2oat n LYS 383 N -1.05 3.22 -1.93 0.37 4.81 -0.16 -4.75 118.16 118.67 2oat n LYS 383 Ca -0.08 -3.36 -0.39 0.00 -0.87 0.00 0.00 58.31 53.62 2oat n LYS 383 Cb 0.58 -3.39 0.01 0.00 0.02 0.00 0.00 35.03 32.25 2oat n LYS 383 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2oat s GLU 384 N 3.60 3.65 0.39 1.64 2.12 -1.26 -4.97 118.70 123.87 2oat s GLU 384 Ca 0.51 2.21 0.04 0.00 0.36 0.00 0.00 54.97 58.09 2oat s GLU 384 Cb 0.03 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2oat s GLU 384 CO 0.05 -0.78 0.10 0.95 -0.54 0.00 0.00 175.26 175.05 2oat s THR 385 N -1.29 0.79 0.44 -1.70 -4.23 -0.37 -5.00 115.64 104.29 2oat s THR 385 Ca 0.63 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.50 2oat s THR 385 Cb -0.39 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.38 2oat s THR 385 CO 0.49 0.00 2.18 0.11 -0.54 0.00 0.00 174.62 176.86 2oat h LYS 386 N 1.85 0.00 -0.00 3.99 6.56 -2.03 -2.96 116.57 123.97 2oat h LYS 386 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 2oat h LYS 386 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2oat h LYS 386 CO 0.61 0.03 -0.23 -0.40 -2.06 0.00 0.00 179.45 177.41 2oat n ASP 387 N -3.28 0.82 -3.91 0.86 5.75 -1.26 -4.95 116.55 110.58 2oat n ASP 387 Ca -0.02 -0.91 -0.26 0.00 -0.01 0.00 0.00 54.79 53.59 2oat n ASP 387 Cb 0.18 0.65 -0.17 0.00 -1.03 0.00 0.00 41.12 40.75 2oat n ASP 387 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2oat s TRP 388 N -1.35 1.37 0.31 2.11 -0.00 -1.12 -5.07 118.94 115.19 2oat s TRP 388 Ca 0.05 -0.63 0.02 0.00 -0.00 0.00 0.00 56.10 55.54 2oat s TRP 388 Cb 0.06 -1.14 -0.02 0.00 -0.00 0.00 0.00 33.47 32.37 2oat s TRP 388 CO 0.24 -0.44 0.34 0.16 -0.00 0.00 0.00 176.95 177.25 2oat s ASP 389 N 1.52 1.10 0.32 5.86 1.47 -1.26 -1.23 116.67 124.45 2oat s ASP 389 Ca 0.01 -1.57 0.01 0.00 1.18 0.00 0.00 52.55 52.18 2oat s ASP 389 Cb -0.13 0.58 0.54 0.00 -0.34 0.00 0.00 42.92 43.56 2oat s ASP 389 CO -0.06 -1.13 1.94 0.00 0.68 0.00 0.00 175.17 176.60 2oat h ALA 390 N 2.20 1.41 -0.51 2.11 0.00 -1.10 -2.26 119.26 121.11 2oat h ALA 390 Ca -0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2oat h ALA 390 Cb 1.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2oat h ALA 390 CO 0.39 0.47 0.19 2.35 0.00 0.00 0.00 179.25 182.66 2oat h TRP 391 N 0.84 0.79 -0.71 0.00 2.91 -1.83 -1.09 115.95 116.85 2oat h TRP 391 Ca 0.21 -0.07 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 2oat h TRP 391 Cb 0.06 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.45 2oat h TRP 391 CO 0.01 0.67 0.20 0.87 -1.03 0.00 0.00 178.44 179.16 2oat h LYS 392 N 0.69 1.12 -0.78 2.65 1.57 -1.87 -0.98 116.57 118.97 2oat h LYS 392 Ca 0.17 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2oat h LYS 392 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2oat h LYS 392 CO -0.01 0.96 0.30 0.28 -0.57 0.00 0.00 179.45 180.41 2oat h VAL 393 N 1.07 1.26 0.00 0.50 2.07 -1.19 -2.37 116.25 117.59 2oat h VAL 393 Ca 0.23 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 2oat h VAL 393 Cb 0.33 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2oat h VAL 393 CO -0.00 0.34 -0.48 0.00 0.02 0.00 0.00 177.57 177.44 2oat h LEU 395 N 0.00 0.42 -0.54 0.00 3.38 -0.76 0.10 115.31 117.91 2oat h LEU 395 Ca -0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2oat h LEU 395 Cb 0.97 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2oat h LEU 395 CO 0.06 0.58 -0.29 -0.09 0.09 0.00 0.00 178.44 178.79 2oat h ARG 396 N 0.25 0.87 -0.48 1.13 2.43 -1.32 0.41 114.38 117.66 2oat h ARG 396 Ca 0.08 -0.40 0.07 0.00 -0.81 0.00 0.00 59.98 58.92 2oat h ARG 396 Cb 0.34 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2oat h ARG 396 CO 0.01 1.04 0.16 -0.07 -1.51 0.00 0.00 179.97 179.59 2oat h LEU 397 N 0.73 0.14 -0.23 3.80 4.07 -0.77 0.26 115.31 123.32 2oat h LEU 397 Ca 0.08 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.16 2oat h LEU 397 Cb 0.84 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 2oat h LEU 397 CO 0.07 0.11 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.35 2oat h ARG 398 N 0.33 -0.07 -0.62 1.13 2.43 -0.47 -0.32 114.38 116.80 2oat h ARG 398 Ca 0.23 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.51 2oat h ARG 398 Cb 0.25 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2oat h ARG 398 CO -0.25 -0.04 0.41 -0.44 -1.51 0.00 0.00 179.97 178.14 2oat h ASP 399 N -0.07 0.39 -0.44 -3.80 3.32 0.11 -1.25 116.42 114.68 2oat h ASP 399 Ca 0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2oat h ASP 399 Cb 0.25 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2oat h ASP 399 CO -0.28 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 178.07 2oat n ASN 400 N -4.47 3.82 0.00 6.45 5.03 0.71 -4.94 115.26 121.85 2oat n ASN 400 Ca 0.10 -2.43 0.00 0.00 0.87 0.00 0.00 54.58 53.12 2oat n ASN 400 Cb 0.37 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 2oat n ASN 400 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2oat n GLY 401 N 0.74 0.62 3.07 7.41 0.00 -0.47 -4.99 105.19 111.57 2oat n GLY 401 Ca 0.19 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 2oat n GLY 401 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oat s LEU 402 N 0.00 1.75 -0.25 0.99 0.20 -0.25 -0.96 118.68 120.17 2oat s LEU 402 Ca 0.00 -0.35 -0.10 0.00 0.69 0.00 0.00 54.13 54.37 2oat s LEU 402 Cb 0.00 -0.95 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 2oat s LEU 402 CO 0.00 0.07 0.14 -0.76 -0.29 0.00 0.00 176.35 175.51 2oat s LEU 403 N 0.56 3.91 0.12 -0.68 1.43 0.60 -2.62 118.68 122.00 2oat s LEU 403 Ca -0.15 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2oat s LEU 403 Cb -0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2oat s LEU 403 CO 0.05 0.01 0.17 0.00 0.23 0.00 0.00 176.35 176.82 2oat s ALA 404 N 1.36 0.16 -0.01 4.21 0.00 -1.26 -0.43 121.76 125.78 2oat s ALA 404 Ca 0.07 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2oat s ALA 404 Cb -0.15 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 2oat s ALA 404 CO 0.06 -0.54 -0.12 0.21 0.00 0.00 0.00 175.76 175.37 2oat s LYS 405 N -3.95 1.05 0.50 0.00 2.47 -1.26 -4.89 119.74 113.66 2oat s LYS 405 Ca 0.14 -0.44 -0.21 0.00 -1.56 0.00 0.00 55.97 53.90 2oat s LYS 405 Cb 0.05 -1.00 -0.07 0.00 -1.46 0.00 0.00 37.83 35.34 2oat s LYS 405 CO -0.04 0.25 1.09 -1.25 0.16 0.00 0.00 175.35 175.56 2oat s PRO 406 N -0.21 3.66 -0.05 4.03 0.04 -1.26 -3.18 135.00 138.04 2oat s PRO 406 Ca 0.03 1.52 0.09 0.00 0.04 0.00 0.00 61.00 62.68 2oat s PRO 406 Cb -0.06 -2.14 0.24 0.00 0.04 0.00 0.00 34.50 32.59 2oat s PRO 406 CO -0.00 -0.58 1.18 -2.37 0.04 0.00 0.00 177.00 175.28 2oat n THR 407 N -0.96 1.32 -3.70 1.26 5.66 0.11 -4.95 114.28 113.03 2oat n THR 407 Ca 0.10 -1.30 0.00 0.00 -3.05 0.00 0.00 64.05 59.79 2oat n THR 407 Cb 0.51 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 2oat n THR 407 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2oat n HIS 408 N -0.23 0.00 0.25 1.09 8.25 -1.26 -4.86 115.22 118.46 2oat n HIS 408 Ca 0.10 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 2oat n HIS 408 Cb 0.47 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.22 2oat n HIS 408 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2oat h GLY 409 N 0.00 0.00 -0.10 -1.41 0.00 -2.00 -3.34 103.07 96.22 2oat h GLY 409 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2oat h GLY 409 CO 0.00 0.00 -0.05 2.09 0.00 0.00 0.00 176.54 178.58 2oat n ASP 410 N -3.47 1.42 -4.13 0.19 5.68 -1.26 -0.60 116.55 114.38 2oat n ASP 410 Ca -0.01 -2.01 -0.26 0.00 -0.50 0.00 0.00 54.79 52.02 2oat n ASP 410 Cb 0.31 -0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 40.02 2oat n ASP 410 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2oat s ILE 411 N -1.07 1.43 -0.10 2.12 1.01 -1.25 -0.52 121.20 122.81 2oat s ILE 411 Ca 0.07 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2oat s ILE 411 Cb 0.06 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2oat s ILE 411 CO 0.01 0.41 -0.19 -0.63 0.00 0.00 0.00 174.94 174.54 2oat s ILE 412 N 0.06 1.68 -0.01 2.92 1.09 -0.25 0.10 121.20 126.78 2oat s ILE 412 Ca -0.04 -0.78 -0.14 0.00 -1.10 0.00 0.00 60.65 58.58 2oat s ILE 412 Cb -0.12 -1.49 -0.06 0.00 -1.06 0.00 0.00 42.46 39.74 2oat s ILE 412 CO 0.02 0.48 0.40 -0.60 -0.10 0.00 0.00 174.94 175.14 2oat s ARG 413 N 0.63 3.90 -0.29 2.79 3.52 -1.19 -0.45 118.95 127.86 2oat s ARG 413 Ca -0.14 0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.87 2oat s ARG 413 Cb -0.16 -3.22 0.09 0.00 -1.56 0.00 0.00 34.95 30.09 2oat s ARG 413 CO 0.04 0.69 0.03 -0.06 -0.81 0.00 0.00 175.30 175.19 2oat s PHE 414 N -1.06 2.66 -0.43 5.12 0.08 0.67 -4.33 117.98 120.70 2oat s PHE 414 Ca 0.23 -2.18 0.06 0.00 0.12 0.00 0.00 56.93 55.16 2oat s PHE 414 Cb -0.16 -2.08 0.20 0.00 -0.57 0.00 0.00 43.02 40.40 2oat s PHE 414 CO 0.13 -0.87 0.49 0.00 -0.10 0.00 0.00 175.22 174.87 2oat n ALA 415 N 4.58 1.72 -1.57 5.36 0.00 0.14 -2.38 120.51 128.36 2oat n ALA 415 Ca -0.04 -2.76 -0.32 0.00 0.00 0.00 0.00 53.44 50.33 2oat n ALA 415 Cb 0.43 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.99 2oat n ALA 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2oat s PRO 416 N -0.13 3.03 0.66 0.00 0.04 -1.26 -3.14 135.00 134.19 2oat s PRO 416 Ca 0.33 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 2oat s PRO 416 Cb 0.09 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2oat s PRO 416 CO -0.16 -1.04 0.49 -2.30 0.04 0.00 0.00 177.00 174.03 2oat n PRO 417 N -2.56 0.38 0.00 0.56 -0.02 -1.25 -4.85 135.00 127.26 2oat n PRO 417 Ca 0.09 0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.88 2oat n PRO 417 Cb 0.53 -1.74 0.75 0.00 -0.02 0.00 0.00 33.50 33.02 2oat n PRO 417 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2oat n LEU 418 N 0.18 0.14 -0.08 2.45 4.77 0.67 -3.21 117.00 121.93 2oat n LEU 418 Ca 0.10 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 2oat n LEU 418 Cb 0.49 -0.21 0.52 0.00 -2.33 0.00 0.00 43.42 41.89 2oat n LEU 418 CO 0.51 0.03 0.79 1.33 -1.33 0.00 0.00 177.39 178.71 2oat n VAL 419 N -1.14 0.00 -1.28 4.08 0.24 -1.24 -4.67 118.33 114.32 2oat n VAL 419 Ca 0.16 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 62.07 2oat n VAL 419 Cb 0.23 -0.07 0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2oat n VAL 419 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2oat n ILE 420 N -1.15 2.76 -4.00 1.34 3.06 -1.20 -5.01 119.36 115.15 2oat n ILE 420 Ca 0.11 -0.31 -0.22 0.00 -2.50 0.00 0.00 62.75 59.84 2oat n ILE 420 Cb 0.31 -1.22 -0.04 0.00 0.54 0.00 0.00 39.64 39.23 2oat n ILE 420 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2oat s LYS 421 N -3.76 2.88 0.30 9.51 1.02 -1.26 -4.99 119.74 123.45 2oat s LYS 421 Ca 0.75 -1.12 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 2oat s LYS 421 Cb -0.32 -2.55 0.48 0.00 -0.52 0.00 0.00 37.83 34.92 2oat s LYS 421 CO 0.49 0.30 1.90 1.49 -0.92 0.00 0.00 175.35 178.61 2oat h GLU 422 N 1.39 0.85 -0.25 1.68 4.81 -1.98 0.86 114.58 121.94 2oat h GLU 422 Ca -0.47 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 58.61 2oat h GLU 422 Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2oat h GLU 422 CO 0.60 0.68 0.07 0.38 -0.73 0.00 0.00 179.01 180.01 2oat h ASP 423 N 0.84 0.37 -0.62 1.04 2.03 -1.99 0.11 116.42 118.21 2oat h ASP 423 Ca 0.20 -0.21 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2oat h ASP 423 Cb 0.13 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.50 2oat h ASP 423 CO -0.02 0.49 0.41 -0.33 -1.03 0.00 0.00 179.24 178.75 2oat h GLU 424 N 0.23 0.82 -0.48 4.15 5.08 -1.87 -0.47 114.58 122.05 2oat h GLU 424 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2oat h GLU 424 Cb 0.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2oat h GLU 424 CO -0.00 0.54 0.31 1.25 -1.00 0.00 0.00 179.01 180.11 2oat h LEU 425 N 0.84 0.55 -1.16 1.33 5.85 -0.50 -1.18 115.31 121.04 2oat h LEU 425 Ca 0.23 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2oat h LEU 425 Cb -0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2oat h LEU 425 CO -0.05 0.42 0.22 0.03 -0.34 0.00 0.00 178.44 178.72 2oat h ARG 426 N 0.64 0.81 -0.49 1.25 3.08 -0.36 0.62 114.38 119.93 2oat h ARG 426 Ca 0.17 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2oat h ARG 426 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2oat h ARG 426 CO -0.04 0.67 0.21 1.49 -1.07 0.00 0.00 179.97 181.23 2oat h GLU 427 N 0.80 0.73 -0.34 0.04 4.81 -0.44 -1.31 114.58 118.87 2oat h GLU 427 Ca 0.19 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2oat h GLU 427 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2oat h GLU 427 CO -0.02 0.64 -0.06 0.77 -0.73 0.00 0.00 179.01 179.61 2oat h SER 428 N 0.65 0.53 -0.62 1.04 0.02 -0.51 -1.29 113.55 113.38 2oat h SER 428 Ca 0.17 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2oat h SER 428 Cb 0.17 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2oat h SER 428 CO -0.02 0.64 0.19 0.40 -1.14 0.00 0.00 176.83 176.90 2oat h ILE 429 N 0.52 1.25 -0.65 3.27 2.04 -0.46 0.29 117.51 123.76 2oat h ILE 429 Ca 0.10 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2oat h ILE 429 Cb 0.43 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2oat h ILE 429 CO 0.02 0.32 0.43 -0.33 0.00 0.00 0.00 178.15 178.59 2oat h GLU 430 N 0.88 0.85 -0.40 2.37 4.39 -0.70 0.52 114.58 122.49 2oat h GLU 430 Ca 0.20 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2oat h GLU 430 Cb 0.29 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2oat h GLU 430 CO -0.01 0.56 0.24 0.82 -1.16 0.00 0.00 179.01 179.47 2oat h ILE 431 N 0.88 1.05 -0.15 3.13 2.04 -0.45 0.23 117.51 124.23 2oat h ILE 431 Ca 0.24 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2oat h ILE 431 Cb -0.09 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2oat h ILE 431 CO -0.06 0.09 0.10 0.40 0.00 0.00 0.00 178.15 178.68 2oat h ILE 432 N 0.48 1.06 0.33 -0.67 2.04 0.51 -1.00 117.51 120.26 2oat h ILE 432 Ca 0.16 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2oat h ILE 432 Cb -0.00 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2oat h ILE 432 CO -0.07 0.06 -0.40 0.78 0.00 0.00 0.00 178.15 178.52 2oat h ASN 433 N 0.19 -1.10 -0.54 1.72 2.35 0.40 -0.81 115.58 117.78 2oat h ASN 433 Ca 0.06 0.10 0.11 0.00 -0.55 0.00 0.00 56.30 56.02 2oat h ASN 433 Cb 0.01 0.38 -0.10 0.00 0.05 0.00 0.00 38.32 38.66 2oat h ASN 433 CO -0.01 -0.53 -0.10 0.50 -1.65 0.00 0.00 177.43 175.64 2oat h LYS 434 N -0.77 0.02 0.30 0.81 3.64 -0.41 -0.18 116.57 119.98 2oat h LYS 434 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2oat h LYS 434 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2oat h LYS 434 CO -0.10 0.02 -0.14 1.15 -2.27 0.00 0.00 179.45 178.10 2oat h THR 435 N 0.02 0.73 -0.45 1.00 2.02 -0.93 -0.89 112.91 114.41 2oat h THR 435 Ca 0.26 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.32 2oat h THR 435 Cb 0.41 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2oat h THR 435 CO -0.54 0.03 0.25 0.40 0.37 0.00 0.00 175.52 176.04 2oat h ILE 436 N -0.47 1.02 0.00 3.11 1.08 -0.80 -1.85 117.51 119.59 2oat h ILE 436 Ca -0.04 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2oat h ILE 436 Cb 0.36 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2oat h ILE 436 CO 0.07 0.09 0.00 -0.07 -0.69 0.00 0.00 178.15 177.55 2oat h LEU 437 N 0.50 0.00 0.00 1.44 3.38 -0.98 -3.08 115.31 116.57 2oat h LEU 437 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2oat h LEU 437 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2oat h LEU 437 CO -0.10 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.89 2oat n SER 438 N -2.88 0.00 -0.50 -0.43 3.41 -0.35 -5.08 113.62 107.80 2oat n SER 438 Ca 0.01 -0.12 0.14 0.00 -0.26 0.00 0.00 58.87 58.64 2oat n SER 438 Cb 0.29 -0.23 0.51 0.00 -0.26 0.00 0.00 64.21 64.53 2oat n SER 438 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37