#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rye n PRO 27 N 0.00 0.00 -1.45 0.03 -0.02 -1.26 -2.78 135.00 129.52 1rye n PRO 27 Ca 0.00 0.24 -0.54 0.00 -2.02 0.00 0.00 63.50 61.18 1rye n PRO 27 Cb 0.00 -0.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.76 1rye n PRO 27 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rye n GLU 28 N -0.55 0.81 -2.97 -0.52 4.71 -1.26 -3.94 120.64 116.92 1rye n GLU 28 Ca 0.00 0.24 -0.20 0.00 -0.01 0.00 0.00 57.16 57.19 1rye n GLU 28 Cb 0.00 -2.15 0.06 0.00 -1.01 0.00 0.00 31.44 28.34 1rye n GLU 28 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1rye s ASP 29 N 6.28 5.11 0.00 1.62 1.47 -1.20 -4.49 116.67 125.46 1rye s ASP 29 Ca 1.10 -0.70 0.00 0.00 1.18 0.00 0.00 52.55 54.13 1rye s ASP 29 Cb -1.06 0.08 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 1rye s ASP 29 CO 0.57 -1.30 0.00 -2.11 0.68 0.00 0.00 175.17 173.00 1rye n ARG 30 N -2.25 0.00 0.00 2.11 1.85 -1.23 -4.90 116.66 112.24 1rye n ARG 30 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1rye n ARG 30 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 1rye n ARG 30 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1rye n ARG 31 N 0.00 0.00 -1.57 2.89 1.74 -1.13 -4.56 116.66 114.03 1rye n ARG 31 Ca 0.00 0.00 -0.61 0.00 -0.77 0.00 0.00 57.85 56.47 1rye n ARG 31 Cb 0.00 -0.22 -0.09 0.00 -1.02 0.00 0.00 32.46 31.14 1rye n ARG 31 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rye n PHE 32 N 0.00 1.20 -3.85 -1.55 7.35 -0.47 -4.83 117.46 115.30 1rye n PHE 32 Ca 0.00 1.07 -0.36 0.00 -0.76 0.00 0.00 57.45 57.40 1rye n PHE 32 Cb 0.00 -2.08 -0.12 0.00 0.35 0.00 0.00 39.48 37.63 1rye n PHE 32 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1rye s GLY 33 N 1.55 1.78 -0.04 7.13 0.00 -1.26 -1.62 107.32 114.87 1rye s GLY 33 Ca 0.95 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 1rye s GLY 33 CO 0.68 0.41 0.10 -0.19 0.00 0.00 0.00 173.10 174.10 1rye s TYR 34 N 1.31 3.39 -0.32 1.90 2.02 0.18 -0.71 117.35 125.12 1rye s TYR 34 Ca 0.05 0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 57.05 1rye s TYR 34 Cb -0.15 -1.81 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 1rye s TYR 34 CO 0.03 0.60 0.03 0.00 -1.57 0.00 0.00 175.55 174.64 1rye s ALA 35 N -1.14 2.86 -0.02 3.71 0.00 -0.10 -0.71 121.76 126.36 1rye s ALA 35 Ca 0.20 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 1rye s ALA 35 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1rye s ALA 35 CO 0.11 -1.42 0.97 0.42 0.00 0.00 0.00 175.76 175.84 1rye s ILE 36 N 1.16 4.87 -0.30 0.00 1.09 -0.16 -0.28 121.20 127.58 1rye s ILE 36 Ca -0.01 2.02 -0.01 0.00 -1.10 0.00 0.00 60.65 61.55 1rye s ILE 36 Cb -0.20 -4.30 0.05 0.00 -1.06 0.00 0.00 42.46 36.95 1rye s ILE 36 CO -0.03 0.15 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.25 1rye s VAL 37 N 1.13 2.82 0.00 2.92 1.01 0.16 -0.14 120.40 128.30 1rye s VAL 37 Ca 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1rye s VAL 37 Cb -0.20 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1rye s VAL 37 CO 0.26 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1rye n GLY 38 N 4.58 0.21 3.17 4.51 0.00 -0.48 -1.38 105.19 115.79 1rye n GLY 38 Ca -0.13 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1rye n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rye n LEU 39 N 0.00 5.94 0.00 0.99 4.77 -1.26 -4.67 117.00 122.76 1rye n LEU 39 Ca 0.00 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 1rye n LEU 39 Cb 0.00 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 1rye n LEU 39 CO 0.00 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1rye n GLY 40 N 3.42 4.22 0.17 -0.72 0.00 -1.26 -4.87 105.19 106.15 1rye n GLY 40 Ca 0.38 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1rye n GLY 40 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rye h LYS 41 N 0.00 -0.11 -0.12 1.61 3.64 -1.95 0.13 116.57 119.77 1rye h LYS 41 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1rye h LYS 41 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1rye h LYS 41 CO 0.00 -0.07 -0.23 -0.92 -2.27 0.00 0.00 179.45 175.96 1rye h TYR 42 N -0.11 0.47 -0.09 1.91 3.20 -1.95 -0.14 116.97 120.25 1rye h TYR 42 Ca 0.11 -0.17 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1rye h TYR 42 Cb 0.27 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1rye h TYR 42 CO -0.27 0.84 -0.23 0.00 -1.64 0.00 0.00 178.16 176.87 1rye h ALA 43 N 0.54 -0.24 0.01 1.82 0.00 -1.79 -0.67 119.26 118.93 1rye h ALA 43 Ca 0.01 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1rye h ALA 43 Cb 0.81 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1rye h ALA 43 CO 0.05 -0.70 -0.92 -0.07 0.00 0.00 0.00 179.25 177.60 1rye h LEU 44 N -0.32 0.14 0.06 0.00 4.07 -1.03 0.26 115.31 118.49 1rye h LEU 44 Ca 0.09 -0.13 -0.31 0.00 0.08 0.00 0.00 57.88 57.61 1rye h LEU 44 Cb 0.44 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1rye h LEU 44 CO -0.27 0.98 -1.73 0.78 -1.08 0.00 0.00 178.44 177.13 1rye h ASN 45 N 0.05 0.18 0.00 -0.43 2.35 -0.97 -3.41 115.58 113.35 1rye h ASN 45 Ca -0.04 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1rye h ASN 45 Cb 1.59 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.89 1rye h ASN 45 CO 0.13 1.32 -1.25 0.00 -1.65 0.00 0.00 177.43 175.98 1rye n GLN 46 N -3.25 0.11 0.07 0.81 1.13 -0.37 -4.75 117.38 111.13 1rye n GLN 46 Ca -0.20 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 54.84 1rye n GLN 46 Cb 1.04 -1.07 -0.02 0.00 0.11 0.00 0.00 30.24 30.30 1rye n GLN 46 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1rye h ILE 47 N -0.01 0.00 -0.59 5.09 1.08 -0.93 -2.69 117.51 119.46 1rye h ILE 47 Ca -0.10 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 1rye h ILE 47 Cb 1.15 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.82 1rye h ILE 47 CO -0.02 0.00 0.16 -0.07 -0.69 0.00 0.00 178.15 177.53 1rye h LEU 48 N -1.06 0.07 -2.18 1.44 4.07 -0.75 0.57 115.31 117.47 1rye h LEU 48 Ca -0.03 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1rye h LEU 48 Cb 0.22 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1rye h LEU 48 CO 0.05 0.05 -0.07 -0.65 -1.08 0.00 0.00 178.44 176.74 1rye h PRO 49 N 0.30 0.00 0.00 1.13 0.11 -1.80 -2.57 132.00 129.17 1rye h PRO 49 Ca 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1rye h PRO 49 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1rye h PRO 49 CO -0.36 0.07 -0.13 0.78 -0.21 0.00 0.00 178.00 178.15 1rye h GLY 50 N 0.58 0.00 1.01 -0.55 0.00 0.50 -3.03 103.07 101.58 1rye h GLY 50 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1rye h GLY 50 CO 0.01 0.00 0.43 0.74 0.00 0.00 0.00 176.54 177.71 1rye h PHE 51 N 0.00 1.04 -0.79 5.60 0.04 -1.35 -3.07 116.94 118.41 1rye h PHE 51 Ca -0.00 -0.02 0.27 0.00 2.80 0.00 0.00 57.97 61.01 1rye h PHE 51 Cb 0.37 -0.33 -0.14 0.00 2.20 0.00 0.00 35.95 38.04 1rye h PHE 51 CO 0.00 0.72 0.19 0.00 -0.60 0.00 0.00 178.31 178.63 1rye n ALA 52 N -2.36 0.58 0.17 2.45 0.00 -1.14 0.24 120.51 120.45 1rye n ALA 52 Ca 0.07 0.83 0.06 0.00 0.00 0.00 0.00 53.44 54.40 1rye n ALA 52 Cb 0.08 -0.70 0.23 0.00 0.00 0.00 0.00 19.45 19.07 1rye n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 53 N -1.31 1.79 3.86 0.00 0.00 -1.16 -4.35 105.19 104.03 1rye n GLY 53 Ca 0.24 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1rye n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rye n GLN 55 N -0.69 0.92 0.00 0.00 7.27 -1.12 -3.24 117.38 120.52 1rye n GLN 55 Ca 0.02 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1rye n GLN 55 Cb 0.53 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.91 1rye n GLN 55 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1rye n HIS 56 N -1.82 0.00 -2.98 3.69 8.25 -1.26 -3.79 115.22 117.31 1rye n HIS 56 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1rye n HIS 56 Cb 0.32 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 1rye n HIS 56 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1rye s SER 57 N -1.45 7.07 0.01 0.41 0.01 -1.26 -1.37 113.70 117.11 1rye s SER 57 Ca 0.00 1.54 -0.10 0.00 1.31 0.00 0.00 55.95 58.71 1rye s SER 57 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.77 1rye s SER 57 CO 0.00 -0.09 0.19 0.00 0.41 0.00 0.00 173.24 173.75 1rye s ARG 58 N -2.34 0.58 -0.62 12.44 1.70 -0.64 -4.37 118.95 125.71 1rye s ARG 58 Ca 0.49 -0.42 -0.25 0.00 -0.47 0.00 0.00 55.73 55.09 1rye s ARG 58 Cb -0.15 0.25 0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1rye s ARG 58 CO 0.20 -0.15 1.05 0.42 -1.08 0.00 0.00 175.30 175.74 1rye s ILE 59 N -1.68 4.19 -0.17 4.99 1.01 -1.26 -0.65 121.20 127.62 1rye s ILE 59 Ca -0.12 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1rye s ILE 59 Cb -0.05 -4.68 -0.22 0.00 0.01 0.00 0.00 42.46 37.51 1rye s ILE 59 CO 0.01 -1.38 0.16 1.21 0.00 0.00 0.00 174.94 174.93 1rye n GLU 60 N 8.04 0.70 -4.06 2.79 4.07 0.12 -4.79 120.64 127.51 1rye n GLU 60 Ca 0.01 0.27 -0.10 0.00 -0.06 0.00 0.00 57.16 57.28 1rye n GLU 60 Cb 0.47 -1.65 -0.08 0.00 -0.06 0.00 0.00 31.44 30.12 1rye n GLU 60 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1rye s ALA 61 N -2.52 0.34 0.02 4.31 0.00 -0.57 -4.53 121.76 118.79 1rye s ALA 61 Ca -0.27 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1rye s ALA 61 Cb 0.08 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 1rye s ALA 61 CO 0.69 -0.68 -0.07 -0.51 0.00 0.00 0.00 175.76 175.20 1rye s LEU 62 N -3.04 2.12 -0.12 0.00 1.43 -0.84 -0.99 118.68 117.24 1rye s LEU 62 Ca 0.25 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1rye s LEU 62 Cb 0.04 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.03 1rye s LEU 62 CO 0.06 -0.05 -0.19 -0.69 0.23 0.00 0.00 176.35 175.71 1rye s VAL 63 N -0.68 1.78 -0.09 -1.59 1.01 0.80 -1.10 120.40 120.53 1rye s VAL 63 Ca -0.03 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1rye s VAL 63 Cb -0.06 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1rye s VAL 63 CO 0.00 0.50 0.61 -0.55 0.00 0.00 0.00 175.10 175.66 1rye s SER 64 N 0.83 -0.59 -0.02 3.32 0.15 0.33 -1.38 113.70 116.35 1rye s SER 64 Ca -0.08 0.75 0.09 0.00 0.70 0.00 0.00 55.95 57.40 1rye s SER 64 Cb -0.16 0.68 0.30 0.00 -1.71 0.00 0.00 66.02 65.13 1rye s SER 64 CO -0.00 -0.50 1.20 0.61 1.20 0.00 0.00 173.24 175.75 1rye n GLY 65 N 1.38 0.82 2.84 9.45 0.00 -1.26 -4.14 105.19 114.28 1rye n GLY 65 Ca -0.18 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1rye n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rye s ASN 66 N -0.87 4.04 0.06 1.61 3.84 -1.26 -5.01 114.94 117.35 1rye s ASN 66 Ca 0.22 -1.57 -0.26 0.00 0.21 0.00 0.00 52.86 51.47 1rye s ASN 66 Cb 0.12 -1.08 -0.17 0.00 -0.55 0.00 0.00 41.25 39.58 1rye s ASN 66 CO 0.13 -0.36 1.57 0.00 -2.79 0.00 0.00 177.10 175.66 1rye h ALA 67 N 7.97 -0.23 -0.48 1.71 0.00 -2.00 -2.25 119.26 123.99 1rye h ALA 67 Ca -0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rye h ALA 67 Cb 1.04 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1rye h ALA 67 CO 0.46 -0.57 0.14 1.49 0.00 0.00 0.00 179.25 180.77 1rye h GLU 68 N -0.35 0.29 0.04 0.00 4.81 -1.99 0.52 114.58 117.91 1rye h GLU 68 Ca -0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1rye h GLU 68 Cb 0.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1rye h GLU 68 CO 0.04 0.19 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.27 1rye h LYS 69 N 0.30 -0.06 -0.43 1.92 3.64 -1.98 -2.39 116.57 117.57 1rye h LYS 69 Ca 0.23 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1rye h LYS 69 Cb 0.27 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1rye h LYS 69 CO -0.26 0.08 0.26 0.00 -2.27 0.00 0.00 179.45 177.26 1rye h ALA 70 N 0.76 1.65 -0.33 5.00 0.00 -1.16 -0.22 119.26 124.97 1rye h ALA 70 Ca -0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1rye h ALA 70 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rye h ALA 70 CO 0.01 0.31 -0.08 -0.22 0.00 0.00 0.00 179.25 179.27 1rye h LYS 71 N 0.59 0.54 -0.03 0.00 1.63 -0.66 0.31 116.57 118.95 1rye h LYS 71 Ca 0.16 -0.14 -0.19 0.00 -0.85 0.00 0.00 60.65 59.62 1rye h LYS 71 Cb -0.03 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1rye h LYS 71 CO -0.03 0.62 -0.74 0.82 -3.45 0.00 0.00 179.45 176.67 1rye h ILE 72 N 0.50 1.36 -0.63 2.00 2.04 -0.69 -2.56 117.51 119.53 1rye h ILE 72 Ca 0.10 -2.08 -0.08 0.00 1.00 0.00 0.00 64.86 63.80 1rye h ILE 72 Cb 0.45 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1rye h ILE 72 CO 0.02 0.63 0.06 0.58 0.00 0.00 0.00 178.15 179.44 1rye h VAL 73 N 0.14 1.26 -0.42 1.67 2.07 -0.81 -1.93 116.25 118.23 1rye h VAL 73 Ca -0.08 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1rye h VAL 73 Cb 1.41 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1rye h VAL 73 CO 0.15 0.39 0.23 0.00 0.02 0.00 0.00 177.57 178.37 1rye h ALA 74 N 1.08 0.54 -0.40 1.67 0.00 -0.40 -1.02 119.26 120.73 1rye h ALA 74 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rye h ALA 74 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rye h ALA 74 CO 0.02 0.06 0.23 0.00 0.00 0.00 0.00 179.25 179.56 1rye h ALA 75 N 1.09 0.51 0.26 0.00 0.00 -1.30 0.73 119.26 120.54 1rye h ALA 75 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1rye h ALA 75 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rye h ALA 75 CO -0.02 0.01 -0.15 0.93 0.00 0.00 0.00 179.25 180.01 1rye h GLU 76 N 0.52 -0.38 -0.15 0.00 5.08 -0.95 -2.98 114.58 115.71 1rye h GLU 76 Ca 0.14 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1rye h GLU 76 Cb 0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1rye h GLU 76 CO -0.03 -0.26 0.00 0.66 -1.00 0.00 0.00 179.01 178.39 1rye n TYR 77 N -5.28 0.19 -3.14 4.33 4.01 -0.42 -4.93 117.16 111.92 1rye n TYR 77 Ca -0.09 -0.10 -0.14 0.00 -0.16 0.00 0.00 57.90 57.41 1rye n TYR 77 Cb 0.19 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.29 1rye n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rye n GLY 78 N 1.00 -0.16 3.83 2.72 0.00 -0.20 -5.00 105.19 107.38 1rye n GLY 78 Ca 0.14 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1rye n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rye s VAL 79 N -3.26 5.38 -0.23 1.61 1.01 0.08 -5.02 120.40 119.98 1rye s VAL 79 Ca 0.14 0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 1rye s VAL 79 Cb -0.06 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1rye s VAL 79 CO 0.54 0.55 2.09 -0.62 0.00 0.00 0.00 175.10 177.67 1rye s ASP 80 N -0.62 5.64 0.20 3.32 -1.08 -1.26 -4.63 116.67 118.24 1rye s ASP 80 Ca 0.15 1.81 0.06 0.00 -0.52 0.00 0.00 52.55 54.05 1rye s ASP 80 Cb -0.13 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.12 1rye s ASP 80 CO 0.05 -1.82 0.96 -0.81 0.52 0.00 0.00 175.17 174.06 1rye n PRO 81 N 8.57 0.04 0.03 4.34 -0.04 -1.26 0.15 135.00 146.84 1rye n PRO 81 Ca 0.27 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 1rye n PRO 81 Cb 0.45 -2.01 0.42 0.00 -0.04 0.00 0.00 33.50 32.32 1rye n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rye n ARG 82 N -1.66 0.11 -1.17 0.54 1.74 -1.26 -3.68 116.66 111.27 1rye n ARG 82 Ca -0.00 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 1rye n ARG 82 Cb 0.39 -1.60 0.15 0.00 -1.02 0.00 0.00 32.46 30.38 1rye n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rye n LYS 83 N -1.78 2.24 -3.71 5.56 4.76 0.40 -4.85 118.16 120.78 1rye n LYS 83 Ca 0.06 -2.87 -0.38 0.00 -2.87 0.00 0.00 58.31 52.25 1rye n LYS 83 Cb 0.38 -2.12 -0.11 0.00 -1.84 0.00 0.00 35.03 31.33 1rye n LYS 83 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1rye s ILE 84 N -3.32 3.69 0.15 -0.18 1.01 -1.24 -1.98 121.20 119.33 1rye s ILE 84 Ca 0.55 -1.68 0.03 0.00 0.00 0.00 0.00 60.65 59.54 1rye s ILE 84 Cb 0.46 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1rye s ILE 84 CO 0.09 -0.55 0.28 -0.31 0.00 0.00 0.00 174.94 174.45 1rye s TYR 85 N 1.29 3.47 0.19 3.97 1.51 -0.26 -4.96 117.35 122.55 1rye s TYR 85 Ca 0.04 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.24 1rye s TYR 85 Cb -0.23 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1rye s TYR 85 CO -0.01 0.51 0.25 -0.40 -1.11 0.00 0.00 175.55 174.79 1rye n ASP 86 N -0.56 0.78 0.09 2.29 5.68 -1.26 -0.51 116.55 123.06 1rye n ASP 86 Ca -0.07 -1.51 0.12 0.00 -0.50 0.00 0.00 54.79 52.83 1rye n ASP 86 Cb 0.54 -0.12 0.45 0.00 -1.14 0.00 0.00 41.12 40.85 1rye n ASP 86 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1rye n TYR 87 N -1.36 0.67 0.03 2.11 4.01 -1.26 -2.15 117.16 119.20 1rye n TYR 87 Ca 0.05 0.23 -0.22 0.00 -0.16 0.00 0.00 57.90 57.79 1rye n TYR 87 Cb 0.20 -0.87 -0.14 0.00 -0.31 0.00 0.00 39.34 38.22 1rye n TYR 87 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1rye h SER 88 N 0.00 0.45 -0.69 7.72 4.64 -1.95 -3.35 113.55 120.37 1rye h SER 88 Ca 0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1rye h SER 88 Cb 0.52 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1rye h SER 88 CO 0.00 1.71 0.00 -0.46 -0.87 0.00 0.00 176.83 177.21 1rye n ASN 89 N -3.76 3.88 -0.35 4.97 6.94 -1.24 -4.60 115.26 121.09 1rye n ASN 89 Ca -0.26 -2.07 0.10 0.00 -0.02 0.00 0.00 54.58 52.32 1rye n ASN 89 Cb 0.97 -0.48 0.21 0.00 -2.36 0.00 0.00 39.78 38.11 1rye n ASN 89 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1rye h PHE 90 N 4.06 -0.33 -0.56 -2.53 3.57 -1.58 -0.21 116.94 119.36 1rye h PHE 90 Ca 0.00 0.08 0.16 0.00 3.53 0.00 0.00 57.97 61.75 1rye h PHE 90 Cb 1.01 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 1rye h PHE 90 CO 0.51 -0.44 0.51 -0.44 -2.23 0.00 0.00 178.31 176.23 1rye h ASP 91 N 0.00 0.00 0.00 0.41 5.19 -1.89 -2.44 116.42 117.69 1rye h ASP 91 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1rye h ASP 91 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1rye h ASP 91 CO -0.99 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 175.43 1rye n LYS 92 N -3.92 0.00 0.20 3.56 4.76 -0.09 -1.96 118.16 120.71 1rye n LYS 92 Ca 0.11 0.44 0.14 0.00 -2.87 0.00 0.00 58.31 56.13 1rye n LYS 92 Cb 0.73 -1.50 0.63 0.00 -1.84 0.00 0.00 35.03 33.04 1rye n LYS 92 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1rye h ILE 93 N 0.00 0.00 0.00 -0.18 3.07 -1.65 -1.61 117.51 117.15 1rye h ILE 93 Ca 0.00 -0.25 -0.02 0.00 1.55 0.00 0.00 64.86 66.14 1rye h ILE 93 Cb 0.01 1.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.59 1rye h ILE 93 CO 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 176.99 1rye h ALA 94 N 2.13 1.25 0.00 0.16 0.00 -1.56 -1.68 119.26 119.56 1rye h ALA 94 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rye h ALA 94 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rye h ALA 94 CO 0.00 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.02 1rye n LYS 95 N -3.59 0.84 -3.90 0.00 5.02 -0.60 -4.60 118.16 111.33 1rye n LYS 95 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1rye n LYS 95 Cb 0.24 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 1rye n LYS 95 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rye s ASP 96 N -2.13 4.97 0.60 4.39 -1.08 -0.63 -4.95 116.67 117.84 1rye s ASP 96 Ca 0.42 -1.92 0.36 0.00 -0.52 0.00 0.00 52.55 50.89 1rye s ASP 96 Cb 0.21 -1.72 1.94 0.00 -1.46 0.00 0.00 42.92 41.89 1rye s ASP 96 CO 0.38 -0.42 2.23 1.55 0.52 0.00 0.00 175.17 179.43 1rye h PRO 97 N 7.86 0.00 -0.01 4.34 0.13 -1.83 -1.75 132.00 140.74 1rye h PRO 97 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1rye h PRO 97 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1rye h PRO 97 CO 0.59 0.03 0.00 0.87 -0.23 0.00 0.00 178.00 179.27 1rye h LYS 98 N 0.00 0.00 -5.95 0.86 1.79 -1.93 -3.37 116.57 107.96 1rye h LYS 98 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1rye h LYS 98 Cb 0.14 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.67 1rye h LYS 98 CO 0.00 0.00 0.52 0.42 -1.08 0.00 0.00 179.45 179.31 1rye s ILE 99 N -5.06 4.48 -0.11 1.86 1.01 -0.66 -4.06 121.20 118.65 1rye s ILE 99 Ca -0.05 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.03 1rye s ILE 99 Cb 0.17 -4.45 -0.26 0.00 0.01 0.00 0.00 42.46 37.93 1rye s ILE 99 CO 0.67 -0.91 0.40 0.47 0.00 0.00 0.00 174.94 175.56 1rye n ASP 100 N 7.17 2.06 -4.17 3.58 8.00 0.11 -4.93 116.55 128.37 1rye n ASP 100 Ca 0.04 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 1rye n ASP 100 Cb 0.48 -0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 1rye n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rye s ALA 101 N -2.56 0.98 0.05 2.24 0.00 -0.43 -1.83 121.76 120.21 1rye s ALA 101 Ca -0.21 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.24 1rye s ALA 101 Cb 0.07 1.31 -0.03 0.00 0.00 0.00 0.00 23.12 24.47 1rye s ALA 101 CO 0.78 -0.61 -0.21 0.08 0.00 0.00 0.00 175.76 175.79 1rye s VAL 102 N -4.13 1.70 -0.28 0.00 1.01 -0.02 -0.93 120.40 117.74 1rye s VAL 102 Ca 0.36 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1rye s VAL 102 Cb 0.06 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1rye s VAL 102 CO 0.11 0.17 -0.06 -0.47 0.00 0.00 0.00 175.10 174.85 1rye s TYR 103 N -0.86 3.35 -0.26 5.22 6.14 0.61 -0.85 117.35 130.70 1rye s TYR 103 Ca 0.07 -2.33 -0.23 0.00 0.64 0.00 0.00 57.07 55.22 1rye s TYR 103 Cb -0.09 -2.15 -0.01 0.00 0.42 0.00 0.00 41.96 40.13 1rye s TYR 103 CO 0.02 -0.88 0.75 0.42 0.64 0.00 0.00 175.55 176.50 1rye s ILE 104 N 1.10 4.89 -0.39 3.14 1.01 0.28 -0.66 121.20 130.57 1rye s ILE 104 Ca -0.05 1.35 0.11 0.00 0.00 0.00 0.00 60.65 62.06 1rye s ILE 104 Cb -0.20 -4.05 0.44 0.00 0.01 0.00 0.00 42.46 38.66 1rye s ILE 104 CO -0.05 -0.06 1.04 -0.38 0.00 0.00 0.00 174.94 175.49 1rye n ILE 105 N 5.27 1.77 -3.31 2.92 5.41 -0.48 -2.35 119.36 128.59 1rye n ILE 105 Ca 0.03 -4.11 -0.20 0.00 1.00 0.00 0.00 62.75 59.47 1rye n ILE 105 Cb 0.48 -0.42 0.02 0.00 -0.71 0.00 0.00 39.64 39.01 1rye n ILE 105 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rye s LEU 106 N -3.36 3.22 0.97 1.39 1.43 -1.25 -4.64 118.68 116.44 1rye s LEU 106 Ca 0.39 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1rye s LEU 106 Cb 0.43 -1.88 0.16 0.00 0.03 0.00 0.00 46.19 44.92 1rye s LEU 106 CO -0.09 -1.01 1.01 -2.65 0.23 0.00 0.00 176.35 173.84 1rye n PRO 107 N -1.91 -0.79 0.06 1.29 -0.02 -1.26 -4.81 135.00 127.56 1rye n PRO 107 Ca 0.08 -0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1rye n PRO 107 Cb 0.62 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1rye n PRO 107 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1rye h ASN 108 N -1.99 -1.20 -0.03 2.55 2.35 -1.85 -2.13 115.58 113.28 1rye h ASN 108 Ca -0.46 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1rye h ASN 108 Cb 1.28 0.47 -0.00 0.00 0.05 0.00 0.00 38.32 40.12 1rye h ASN 108 CO 0.41 -0.44 0.49 0.77 -1.65 0.00 0.00 177.43 177.02 1rye h SER 109 N -0.55 0.00 -0.02 5.81 4.64 -0.89 -0.84 113.55 121.71 1rye h SER 109 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1rye h SER 109 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1rye h SER 109 CO -0.30 0.00 -0.18 0.18 -0.87 0.00 0.00 176.83 175.66 1rye n LEU 110 N -2.85 2.56 0.04 5.97 4.77 -0.80 -4.56 117.00 122.14 1rye n LEU 110 Ca -0.01 -0.88 -0.11 0.00 -0.03 0.00 0.00 56.01 54.98 1rye n LEU 110 Cb 0.54 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1rye n LEU 110 CO 0.11 0.44 0.83 0.45 -1.33 0.00 0.00 177.39 177.89 1rye h HIS 111 N 3.74 -0.14 0.19 -1.77 3.86 -1.15 -3.16 115.15 116.72 1rye h HIS 111 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1rye h HIS 111 Cb 0.89 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1rye h HIS 111 CO 0.00 -0.09 -0.18 0.00 0.86 0.00 0.00 177.93 178.52 1rye h ALA 112 N 0.90 -0.37 -0.35 2.45 0.00 -1.79 -0.99 119.26 119.10 1rye h ALA 112 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rye h ALA 112 Cb 0.13 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1rye h ALA 112 CO -0.07 -0.73 -0.10 1.49 0.00 0.00 0.00 179.25 179.84 1rye h GLU 113 N -0.40 -0.02 -0.00 0.00 4.81 -1.85 -0.69 114.58 116.43 1rye h GLU 113 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1rye h GLU 113 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1rye h GLU 113 CO -0.04 -0.01 -0.85 0.74 -0.73 0.00 0.00 179.01 178.12 1rye h PHE 114 N -0.02 0.26 -0.65 0.92 -1.00 -1.53 -0.27 116.94 114.66 1rye h PHE 114 Ca 0.17 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 1rye h PHE 114 Cb 0.29 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 1rye h PHE 114 CO -0.34 0.94 0.23 0.00 -1.61 0.00 0.00 178.31 177.54 1rye h ALA 115 N 1.01 0.85 -0.27 2.45 0.00 -0.92 0.16 119.26 122.53 1rye h ALA 115 Ca -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1rye h ALA 115 Cb 1.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1rye h ALA 115 CO 0.13 0.49 0.02 0.82 0.00 0.00 0.00 179.25 180.70 1rye h ILE 116 N 0.92 1.25 -0.04 0.00 2.04 -1.04 -1.15 117.51 119.49 1rye h ILE 116 Ca 0.21 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1rye h ILE 116 Cb 0.25 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1rye h ILE 116 CO -0.01 0.28 -0.22 0.03 0.00 0.00 0.00 178.15 178.23 1rye h ARG 117 N 0.27 0.06 -0.28 2.37 3.08 -0.83 -1.91 114.38 117.15 1rye h ARG 117 Ca 0.08 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1rye h ARG 117 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1rye h ARG 117 CO 0.01 0.29 -0.18 0.00 -1.07 0.00 0.00 179.97 179.02 1rye h ALA 118 N 1.72 0.39 -0.30 0.04 0.00 -0.24 -2.70 119.26 118.17 1rye h ALA 118 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1rye h ALA 118 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1rye h ALA 118 CO 0.03 0.31 0.13 0.74 0.00 0.00 0.00 179.25 180.46 1rye h PHE 119 N 0.34 0.44 0.00 0.00 0.04 -0.85 -1.02 116.94 115.89 1rye h PHE 119 Ca 0.06 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1rye h PHE 119 Cb 0.71 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1rye h PHE 119 CO 0.07 0.41 0.00 1.63 -0.60 0.00 0.00 178.31 179.81 1rye n LYS 120 N -4.77 0.07 -0.01 1.51 5.02 -0.75 0.57 118.16 119.80 1rye n LYS 120 Ca -0.02 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1rye n LYS 120 Cb 0.11 -1.70 0.17 0.00 -0.02 0.00 0.00 35.03 33.60 1rye n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rye n ALA 121 N -1.62 2.48 -2.34 7.82 0.00 -0.44 -4.97 120.51 121.44 1rye n ALA 121 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.76 1rye n ALA 121 Cb 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1rye n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 122 N 1.33 0.60 3.42 0.00 0.00 0.19 -4.17 105.19 106.56 1rye n GLY 122 Ca 0.15 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1rye n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rye s LYS 123 N -4.64 1.52 0.41 1.61 -0.14 -0.90 -5.01 119.74 112.58 1rye s LYS 123 Ca 0.03 -1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 52.91 1rye s LYS 123 Cb -0.01 -1.66 -0.07 0.00 -1.68 0.00 0.00 37.83 34.41 1rye s LYS 123 CO 0.03 0.33 0.80 -1.01 -0.76 0.00 0.00 175.35 174.74 1rye s HIS 124 N -2.17 3.45 -0.07 3.18 3.76 -0.76 -4.14 115.29 118.54 1rye s HIS 124 Ca 0.23 1.14 0.05 0.00 -0.15 0.00 0.00 55.06 56.33 1rye s HIS 124 Cb -0.06 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 1rye s HIS 124 CO 0.11 -0.11 -0.22 0.08 -0.85 0.00 0.00 174.74 173.75 1rye s VAL 125 N -2.35 1.85 -0.23 -0.90 1.01 -0.69 -0.84 120.40 118.25 1rye s VAL 125 Ca 0.53 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1rye s VAL 125 Cb -0.10 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1rye s VAL 125 CO 0.29 0.52 -0.00 -0.32 0.00 0.00 0.00 175.10 175.58 1rye s MET 126 N 0.13 3.45 -0.04 2.72 0.00 -0.03 -0.05 119.30 125.47 1rye s MET 126 Ca -0.10 -0.59 0.06 0.00 0.00 0.00 0.00 55.69 55.05 1rye s MET 126 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 34.83 31.55 1rye s MET 126 CO 0.05 -0.21 -0.21 0.00 0.00 0.00 0.00 175.02 174.66 1rye s GLU 128 N -0.19 1.68 0.16 0.00 0.41 -0.99 0.23 118.70 119.99 1rye s GLU 128 Ca -0.00 0.74 -0.05 0.00 -0.41 0.00 0.00 54.97 55.25 1rye s GLU 128 Cb -0.11 -1.86 -0.06 0.00 -1.78 0.00 0.00 34.13 30.32 1rye s GLU 128 CO 0.02 -1.93 0.40 -1.59 -0.49 0.00 0.00 175.26 171.67 1rye s LYS 129 N -5.04 3.63 0.56 1.61 0.00 -1.26 -3.89 119.74 115.35 1rye s LYS 129 Ca 0.62 -0.07 -0.19 0.00 0.00 0.00 0.00 55.97 56.34 1rye s LYS 129 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 37.83 34.80 1rye s LYS 129 CO 0.56 0.44 1.12 -1.25 0.00 0.00 0.00 175.35 176.22 1rye s PRO 130 N -2.73 3.26 0.17 1.78 0.04 -1.26 -4.99 135.00 131.28 1rye s PRO 130 Ca 0.42 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.78 1rye s PRO 130 Cb -0.12 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1rye s PRO 130 CO 0.25 -0.91 1.60 1.98 0.04 0.00 0.00 177.00 179.96 1rye h MET 131 N 0.97 -0.22 -3.61 4.56 1.85 -1.82 -3.46 114.93 113.20 1rye h MET 131 Ca -0.49 0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.50 1rye h MET 131 Cb 1.26 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 33.27 1rye h MET 131 CO 0.56 -0.15 -0.03 0.00 -0.40 0.00 0.00 176.91 176.90 1rye s ALA 132 N -6.00 -0.11 -1.61 0.39 0.00 -1.26 -4.52 121.76 108.65 1rye s ALA 132 Ca -0.15 -1.01 0.13 0.00 0.00 0.00 0.00 51.96 50.93 1rye s ALA 132 Cb 0.14 0.99 0.44 0.00 0.00 0.00 0.00 23.12 24.70 1rye s ALA 132 CO 0.68 -0.88 1.33 0.25 0.00 0.00 0.00 175.76 177.14 1rye n THR 133 N -0.48 0.93 -3.49 0.00 -2.24 -1.26 -4.89 114.28 102.85 1rye n THR 133 Ca -0.02 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 1rye n THR 133 Cb 0.61 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1rye n THR 133 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rye s SER 134 N -0.86 -0.49 0.25 3.42 1.04 -1.26 -4.88 113.70 110.92 1rye s SER 134 Ca 0.32 0.19 0.07 0.00 0.48 0.00 0.00 55.95 57.02 1rye s SER 134 Cb 0.19 0.48 0.30 0.00 0.10 0.00 0.00 66.02 67.09 1rye s SER 134 CO 0.18 -0.70 1.58 0.58 0.98 0.00 0.00 173.24 175.87 1rye h VAL 135 N 2.27 1.41 -0.64 5.02 2.07 -1.91 -2.91 116.25 121.57 1rye h VAL 135 Ca -0.27 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.18 1rye h VAL 135 Cb 1.23 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1rye h VAL 135 CO 0.35 0.59 0.27 0.00 0.02 0.00 0.00 177.57 178.80 1rye h ALA 136 N 1.28 0.83 -0.62 1.67 0.00 -1.99 -2.21 119.26 118.22 1rye h ALA 136 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1rye h ALA 136 Cb 1.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rye h ALA 136 CO 0.09 0.43 0.03 -0.44 0.00 0.00 0.00 179.25 179.36 1rye h ASP 137 N 0.89 1.02 -0.25 0.00 3.32 -1.96 -0.21 116.42 119.23 1rye h ASP 137 Ca 0.21 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1rye h ASP 137 Cb 0.18 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1rye h ASP 137 CO -0.02 1.06 -0.06 0.00 -1.72 0.00 0.00 179.24 178.49 1rye h GLN 139 N 0.00 0.36 -0.79 0.00 5.75 -1.00 -1.46 115.11 117.97 1rye h GLN 139 Ca 0.12 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1rye h GLN 139 Cb 0.18 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.59 1rye h GLN 139 CO -0.26 0.24 0.46 0.00 -2.65 0.00 0.00 178.83 176.62 1rye h ARG 140 N 0.37 0.78 -0.33 1.69 3.08 -0.31 0.73 114.38 120.39 1rye h ARG 140 Ca 0.15 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1rye h ARG 140 Cb 0.05 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1rye h ARG 140 CO -0.10 0.52 0.17 0.52 -1.07 0.00 0.00 179.97 180.01 1rye h MET 141 N 0.80 0.33 -0.73 0.04 2.86 -0.14 0.12 114.93 118.21 1rye h MET 141 Ca 0.37 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1rye h MET 141 Cb 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1rye h MET 141 CO -0.22 0.22 0.40 0.82 1.06 0.00 0.00 176.91 179.20 1rye h ILE 142 N 0.34 1.22 -0.35 -1.22 2.04 -0.28 -1.03 117.51 118.23 1rye h ILE 142 Ca 0.14 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1rye h ILE 142 Cb 0.05 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1rye h ILE 142 CO -0.09 0.25 0.15 0.44 0.00 0.00 0.00 178.15 178.90 1rye h ASP 143 N 1.01 0.47 -0.54 1.72 3.32 -0.41 -1.80 116.42 120.18 1rye h ASP 143 Ca 0.26 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1rye h ASP 143 Cb 0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1rye h ASP 143 CO -0.04 0.49 0.28 0.00 -1.72 0.00 0.00 179.24 178.24 1rye h ALA 144 N 1.00 1.42 -0.17 3.45 0.00 -0.39 -1.07 119.26 123.50 1rye h ALA 144 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rye h ALA 144 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rye h ALA 144 CO -0.01 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1rye h ALA 145 N 1.51 0.23 -0.24 0.00 0.00 -0.82 -2.59 119.26 117.35 1rye h ALA 145 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rye h ALA 145 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rye h ALA 145 CO -0.03 -0.11 0.14 0.87 0.00 0.00 0.00 179.25 180.12 1rye h LYS 146 N 0.08 0.33 -1.00 0.00 1.57 -1.05 0.41 116.57 116.92 1rye h LYS 146 Ca 0.05 -0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.03 1rye h LYS 146 Cb 0.29 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 1rye h LYS 146 CO 0.00 0.29 0.63 0.00 -0.57 0.00 0.00 179.45 179.80 1rye h ALA 147 N 1.02 2.05 -0.01 3.86 0.00 -1.15 0.13 119.26 125.16 1rye h ALA 147 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rye h ALA 147 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rye h ALA 147 CO -0.01 -0.42 -0.37 0.00 0.00 0.00 0.00 179.25 178.45 1rye n ALA 148 N -2.43 3.33 -3.56 0.00 0.00 -0.87 -4.98 120.51 111.99 1rye n ALA 148 Ca 0.23 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1rye n ALA 148 Cb 0.74 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.32 1rye n ALA 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rye n ASN 149 N -0.19 -3.34 -4.08 0.00 4.05 0.46 -5.00 115.26 107.15 1rye n ASN 149 Ca 0.11 -0.81 -0.16 0.00 0.45 0.00 0.00 54.58 54.17 1rye n ASN 149 Cb 0.43 -4.31 -0.12 0.00 1.23 0.00 0.00 39.78 37.00 1rye n ASN 149 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1rye s LYS 150 N -5.55 0.64 0.47 1.20 -0.14 -0.73 -5.04 119.74 110.59 1rye s LYS 150 Ca 0.20 -0.72 -0.21 0.00 -1.36 0.00 0.00 55.97 53.88 1rye s LYS 150 Cb -0.05 -0.53 -0.09 0.00 -1.68 0.00 0.00 37.83 35.48 1rye s LYS 150 CO 0.80 0.12 1.03 0.15 -0.76 0.00 0.00 175.35 176.68 1rye s LYS 151 N -1.34 3.92 -0.19 1.68 1.02 -1.26 -4.48 119.74 119.09 1rye s LYS 151 Ca -0.05 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.29 1rye s LYS 151 Cb -0.09 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1rye s LYS 151 CO 0.01 -0.33 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.82 1rye s LEU 152 N -3.32 2.15 -0.08 3.17 0.20 -1.26 -1.70 118.68 117.84 1rye s LEU 152 Ca 0.65 -0.78 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1rye s LEU 152 Cb -0.16 -1.24 -0.00 0.00 -0.43 0.00 0.00 46.19 44.36 1rye s LEU 152 CO 0.20 -0.11 -0.22 -0.32 -0.29 0.00 0.00 176.35 175.61 1rye s MET 153 N 1.40 2.57 -0.14 1.98 1.75 0.93 -2.73 119.30 125.06 1rye s MET 153 Ca 0.01 -0.79 -0.14 0.00 -1.25 0.00 0.00 55.69 53.52 1rye s MET 153 Cb -0.15 -2.04 -0.05 0.00 2.84 0.00 0.00 34.83 35.43 1rye s MET 153 CO -0.09 0.22 0.32 0.42 -0.65 0.00 0.00 175.02 175.24 1rye s ILE 154 N 0.21 5.28 -0.34 10.11 -1.09 -0.00 0.52 121.20 135.89 1rye s ILE 154 Ca -0.12 0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 58.76 1rye s ILE 154 Cb -0.16 -3.65 -0.16 0.00 -1.58 0.00 0.00 42.46 36.91 1rye s ILE 154 CO 0.06 0.40 1.58 0.61 -1.23 0.00 0.00 174.94 176.36 1rye n GLY 155 N 3.23 1.79 3.40 6.18 0.00 0.63 -4.81 105.19 115.61 1rye n GLY 155 Ca -0.12 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 1rye n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rye s TYR 156 N 5.29 3.66 0.48 1.61 2.02 -1.26 -4.36 117.35 124.79 1rye s TYR 156 Ca 0.40 -2.05 0.20 0.00 -0.37 0.00 0.00 57.07 55.26 1rye s TYR 156 Cb 0.09 -4.07 1.23 0.00 -0.40 0.00 0.00 41.96 38.82 1rye s TYR 156 CO 0.12 -1.21 1.98 0.07 -1.57 0.00 0.00 175.55 174.94 1rye h ARG 157 N 7.62 0.18 0.00 -0.62 0.11 -1.91 -1.37 114.38 118.39 1rye h ARG 157 Ca 0.19 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1rye h ARG 157 Cb 0.95 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.99 1rye h ARG 157 CO 1.03 0.12 0.00 0.00 0.10 0.00 0.00 179.97 181.22 1rye n HIS 159 N -1.91 0.08 -0.39 0.00 8.25 -0.52 -3.45 115.22 117.29 1rye n HIS 159 Ca 0.01 0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 1rye n HIS 159 Cb 0.10 -0.49 0.02 0.00 1.12 0.00 0.00 29.99 30.74 1rye n HIS 159 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rye n TYR 160 N -1.57 0.00 -3.08 4.41 4.01 -0.41 -4.93 117.16 115.59 1rye n TYR 160 Ca 0.07 -0.49 -0.41 0.00 -0.16 0.00 0.00 57.90 56.91 1rye n TYR 160 Cb 0.35 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1rye n TYR 160 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1rye s ASP 161 N -1.17 6.64 0.17 7.72 2.15 -1.09 -4.21 116.67 126.88 1rye s ASP 161 Ca 0.05 0.79 -0.25 0.00 0.43 0.00 0.00 52.55 53.57 1rye s ASP 161 Cb 0.05 -2.35 0.05 0.00 -0.30 0.00 0.00 42.92 40.36 1rye s ASP 161 CO 0.00 -0.37 1.57 -0.65 -0.17 0.00 0.00 175.17 175.56 1rye h PRO 162 N 7.76 -0.23 -0.22 4.34 0.11 -1.92 0.70 132.00 142.55 1rye h PRO 162 Ca -0.27 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.91 1rye h PRO 162 Cb 1.12 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1rye h PRO 162 CO 0.79 -0.15 -0.18 0.52 -0.21 0.00 0.00 178.00 178.77 1rye h MET 163 N -0.23 -0.18 -0.47 1.05 2.86 -1.93 0.22 114.93 116.25 1rye h MET 163 Ca 0.18 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1rye h MET 163 Cb 0.56 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1rye h MET 163 CO -0.65 -0.12 0.23 -0.91 1.06 0.00 0.00 176.91 176.52 1rye h ASN 164 N -0.18 0.58 -0.24 1.22 2.35 -1.57 -0.91 115.58 116.83 1rye h ASN 164 Ca 0.13 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 1rye h ASN 164 Cb 0.38 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1rye h ASN 164 CO -0.33 0.50 -0.35 0.03 -1.65 0.00 0.00 177.43 175.63 1rye h ARG 165 N 0.66 0.66 -0.74 0.81 2.47 0.01 -2.37 114.38 115.87 1rye h ARG 165 Ca 0.17 -0.39 0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1rye h ARG 165 Cb 0.06 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 1rye h ARG 165 CO -0.02 1.00 0.42 0.00 0.56 0.00 0.00 179.97 181.93 1rye h ALA 166 N 0.64 1.03 -0.33 0.04 0.00 -0.06 0.11 119.26 120.69 1rye h ALA 166 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rye h ALA 166 Cb 0.94 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1rye h ALA 166 CO 0.08 0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.61 1rye h ALA 167 N 1.40 0.42 -0.36 0.00 0.00 -1.08 -1.76 119.26 117.88 1rye h ALA 167 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1rye h ALA 167 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1rye h ALA 167 CO -0.22 -0.10 0.16 0.28 0.00 0.00 0.00 179.25 179.37 1rye h VAL 168 N 0.44 1.13 0.69 0.00 2.07 -0.77 -2.84 116.25 116.98 1rye h VAL 168 Ca 0.12 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1rye h VAL 168 Cb -0.03 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1rye h VAL 168 CO -0.02 0.16 -0.33 0.50 0.02 0.00 0.00 177.57 177.89 1rye h LYS 169 N 0.51 -0.89 -0.07 1.57 3.64 0.01 -2.33 116.57 119.01 1rye h LYS 169 Ca 0.13 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1rye h LYS 169 Cb 0.08 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1rye h LYS 169 CO -0.02 -0.59 0.18 1.37 -2.27 0.00 0.00 179.45 178.12 1rye h LEU 170 N -1.08 0.00 0.05 5.20 8.10 -1.33 0.26 115.31 126.50 1rye h LEU 170 Ca -0.09 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.66 1rye h LEU 170 Cb 0.71 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.91 1rye h LEU 170 CO 0.16 0.00 -1.13 0.40 -4.11 0.00 0.00 178.44 173.75 1rye h ILE 171 N 0.00 1.58 -0.01 0.15 2.04 -1.43 0.36 117.51 120.21 1rye h ILE 171 Ca 0.03 -3.25 -0.19 0.00 1.00 0.00 0.00 64.86 62.46 1rye h ILE 171 Cb 0.39 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1rye h ILE 171 CO -0.00 0.92 -0.83 0.03 0.00 0.00 0.00 178.15 178.27 1rye h ARG 172 N 0.03 0.16 -0.97 2.37 2.47 -0.05 -2.78 114.38 115.61 1rye h ARG 172 Ca -0.07 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.44 1rye h ARG 172 Cb 1.86 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 30.20 1rye h ARG 172 CO 0.15 0.90 0.04 0.39 0.56 0.00 0.00 179.97 182.02 1rye n GLU 173 N -3.67 1.40 -3.33 0.04 1.02 0.34 -4.85 120.64 111.60 1rye n GLU 173 Ca -0.03 -0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 56.45 1rye n GLU 173 Cb 0.78 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1rye n GLU 173 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1rye n ASN 174 N 0.17 -2.61 0.15 1.62 5.15 -1.05 -4.84 115.26 113.85 1rye n ASN 174 Ca 0.06 -0.30 0.13 0.00 -0.60 0.00 0.00 54.58 53.87 1rye n ASN 174 Cb 0.52 -2.23 0.49 0.00 -0.53 0.00 0.00 39.78 38.03 1rye n ASN 174 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1rye h GLN 175 N -0.63 0.00 0.00 1.20 4.20 -0.47 -3.10 115.11 116.32 1rye h GLN 175 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1rye h GLN 175 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1rye h GLN 175 CO 0.46 0.00 -0.90 1.28 -0.67 0.00 0.00 178.83 179.00 1rye n LEU 176 N -2.42 0.60 0.00 1.46 4.77 -1.26 -4.40 117.00 115.75 1rye n LEU 176 Ca 0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1rye n LEU 176 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1rye n LEU 176 CO 0.24 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1rye n GLY 177 N 1.40 -1.74 3.73 -0.72 0.00 -1.17 -0.68 105.19 106.01 1rye n GLY 177 Ca 0.02 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1rye n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rye s LYS 178 N 0.00 4.37 -0.00 1.61 -2.85 -1.26 -4.73 119.74 116.88 1rye s LYS 178 Ca 0.00 2.05 -0.30 0.00 -1.00 0.00 0.00 55.97 56.72 1rye s LYS 178 Cb 0.00 -3.21 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 1rye s LYS 178 CO 0.00 -0.30 1.01 -0.51 0.10 0.00 0.00 175.35 175.65 1rye s LEU 179 N 0.26 4.36 0.00 2.77 1.43 -1.26 -1.93 118.68 124.30 1rye s LEU 179 Ca 0.59 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1rye s LEU 179 Cb -0.36 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1rye s LEU 179 CO 0.36 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1rye n GLY 180 N 2.95 0.00 3.23 -3.19 0.00 0.19 -4.27 105.19 104.10 1rye n GLY 180 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1rye n GLY 180 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rye s MET 181 N -1.42 0.30 -0.10 1.61 -2.45 -0.82 -2.39 119.30 114.04 1rye s MET 181 Ca 0.00 1.00 -0.00 0.00 -1.25 0.00 0.00 55.69 55.44 1rye s MET 181 Cb 0.00 0.29 -0.02 0.00 1.25 0.00 0.00 34.83 36.34 1rye s MET 181 CO 0.00 -0.26 -0.09 0.08 1.05 0.00 0.00 175.02 175.80 1rye s VAL 182 N 2.59 3.50 -0.06 10.11 1.01 -0.56 0.11 120.40 137.11 1rye s VAL 182 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1rye s VAL 182 Cb -0.12 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1rye s VAL 182 CO -0.12 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 174.49 1rye s THR 183 N -0.23 1.34 0.07 3.92 2.01 0.53 -1.48 115.64 121.80 1rye s THR 183 Ca 0.02 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1rye s THR 183 Cb -0.13 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1rye s THR 183 CO 0.03 0.40 -0.08 0.42 -0.69 0.00 0.00 174.62 174.70 1rye s THR 184 N 0.38 0.67 -0.21 -0.82 -4.23 -1.04 -0.03 115.64 110.36 1rye s THR 184 Ca -0.11 -1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 1rye s THR 184 Cb -0.14 -1.15 0.07 0.00 1.34 0.00 0.00 72.50 72.62 1rye s THR 184 CO 0.04 -0.60 0.52 -1.81 -0.54 0.00 0.00 174.62 172.23 1rye s ASP 185 N -2.28 -0.68 -0.04 3.99 1.01 -0.90 -2.42 116.67 115.35 1rye s ASP 185 Ca 0.01 1.14 -0.02 0.00 0.71 0.00 0.00 52.55 54.38 1rye s ASP 185 Cb -0.03 1.02 0.03 0.00 1.01 0.00 0.00 42.92 44.95 1rye s ASP 185 CO -0.02 -0.21 0.06 0.20 0.21 0.00 0.00 175.17 175.42 1rye s ASN 186 N 1.43 1.15 0.09 0.27 -0.87 -0.93 -2.07 114.94 114.02 1rye s ASN 186 Ca -0.09 0.07 -0.04 0.00 -1.57 0.00 0.00 52.86 51.23 1rye s ASN 186 Cb -0.07 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.25 41.01 1rye s ASN 186 CO -0.15 -0.25 0.09 -0.44 -2.57 0.00 0.00 177.10 173.78 1rye s SER 187 N 2.17 0.30 -0.29 -1.22 0.01 -0.30 -1.89 113.70 112.48 1rye s SER 187 Ca 0.05 -0.92 -0.21 0.00 1.31 0.00 0.00 55.95 56.18 1rye s SER 187 Cb -0.12 0.29 0.16 0.00 0.21 0.00 0.00 66.02 66.55 1rye s SER 187 CO -0.03 -0.70 1.12 -1.81 0.41 0.00 0.00 173.24 172.23 1rye s ASP 188 N -2.93 -0.34 0.03 2.44 1.01 -0.55 -2.18 116.67 114.14 1rye s ASP 188 Ca 0.11 0.60 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 1rye s ASP 188 Cb 0.06 0.86 -0.05 0.00 1.01 0.00 0.00 42.92 44.80 1rye s ASP 188 CO -0.07 -0.10 1.27 -0.69 0.21 0.00 0.00 175.17 175.80 1rye s VAL 189 N 0.68 3.91 -0.09 -1.27 1.01 -0.82 -3.88 120.40 119.94 1rye s VAL 189 Ca -0.02 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 1rye s VAL 189 Cb -0.04 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1rye s VAL 189 CO -0.12 0.05 0.66 -0.04 0.00 0.00 0.00 175.10 175.66 1rye s MET 190 N 1.64 4.40 -0.34 2.72 -1.94 -0.36 -4.98 119.30 120.44 1rye s MET 190 Ca 0.60 0.79 -0.05 0.00 -1.71 0.00 0.00 55.69 55.32 1rye s MET 190 Cb -0.30 -3.46 0.05 0.00 2.01 0.00 0.00 34.83 33.13 1rye s MET 190 CO 0.27 0.04 0.09 0.34 -0.01 0.00 0.00 175.02 175.75 1rye s ASP 191 N 0.81 5.24 0.64 3.03 -1.08 -1.26 -4.99 116.67 119.07 1rye s ASP 191 Ca 0.35 -1.21 0.33 0.00 -0.52 0.00 0.00 52.55 51.50 1rye s ASP 191 Cb -0.17 -1.84 1.84 0.00 -1.46 0.00 0.00 42.92 41.29 1rye s ASP 191 CO 0.16 -0.33 2.08 0.06 0.52 0.00 0.00 175.17 177.66 1rye h GLN 192 N 8.17 0.00 0.00 4.34 -0.00 -1.96 -1.17 115.11 124.49 1rye h GLN 192 Ca -0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.30 1rye h GLN 192 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.54 1rye h GLN 192 CO 0.60 0.00 -0.60 -0.91 -0.00 0.00 0.00 178.83 177.92 1rye h ASN 193 N 0.00 0.00 -2.81 0.06 2.35 -1.95 -3.42 115.58 109.80 1rye h ASN 193 Ca 0.04 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.22 1rye h ASN 193 Cb 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1rye h ASN 193 CO -0.00 0.60 1.09 -0.62 -1.65 0.00 0.00 177.43 176.85 1rye s ASP 194 N -6.56 6.46 0.24 5.81 -1.08 -0.44 -4.89 116.67 116.21 1rye s ASP 194 Ca 0.01 1.61 -0.09 0.00 -0.52 0.00 0.00 52.55 53.57 1rye s ASP 194 Cb 0.10 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.41 1rye s ASP 194 CO 0.75 -1.19 1.63 -0.65 0.52 0.00 0.00 175.17 176.23 1rye h PRO 195 N 10.33 0.06 -0.98 4.34 0.11 -1.86 0.10 132.00 144.10 1rye h PRO 195 Ca -0.33 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.91 1rye h PRO 195 Cb 1.14 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1rye h PRO 195 CO 1.00 0.04 0.62 0.00 -0.21 0.00 0.00 178.00 179.45 1rye h ALA 196 N 1.71 1.60 -0.00 -0.75 0.00 -1.94 -1.42 119.26 118.46 1rye h ALA 196 Ca 0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1rye h ALA 196 Cb 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rye h ALA 196 CO -0.69 0.13 -0.13 1.04 0.00 0.00 0.00 179.25 179.61 1rye n GLN 197 N -4.62 0.77 -0.05 0.00 6.02 0.30 -4.04 117.38 115.75 1rye n GLN 197 Ca 0.19 -0.31 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 1rye n GLN 197 Cb 0.40 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 1rye n GLN 197 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1rye h GLN 198 N 0.76 0.43 0.00 -1.09 4.20 -0.65 -3.14 115.11 115.61 1rye h GLN 198 Ca 0.00 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1rye h GLN 198 Cb 0.38 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1rye h GLN 198 CO 0.00 0.86 -0.12 0.11 -0.67 0.00 0.00 178.83 179.00 1rye h TRP 199 N 0.04 0.00 0.00 2.96 5.08 -1.70 -2.57 115.95 119.76 1rye h TRP 199 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1rye h TRP 199 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1rye h TRP 199 CO 0.10 0.12 0.00 0.00 -1.28 0.00 0.00 178.44 177.38 1rye h ARG 200 N 0.00 0.00 -0.02 0.12 3.08 -1.70 -2.02 114.38 113.85 1rye h ARG 200 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rye h ARG 200 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1rye h ARG 200 CO 0.02 0.00 -0.29 1.28 -1.07 0.00 0.00 179.97 179.91 1rye n LEU 201 N -2.51 1.93 -4.56 3.04 4.77 -0.97 -4.82 117.00 113.88 1rye n LEU 201 Ca 0.02 -0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 54.96 1rye n LEU 201 Cb 0.25 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1rye n LEU 201 CO 0.22 0.34 -0.21 -0.13 -1.33 0.00 0.00 177.39 176.29 1rye s ARG 202 N -2.34 3.88 0.14 3.23 1.81 -0.76 -4.38 118.95 120.53 1rye s ARG 202 Ca 0.24 -0.36 -0.19 0.00 -1.72 0.00 0.00 55.73 53.70 1rye s ARG 202 Cb 0.19 -3.52 0.02 0.00 -0.45 0.00 0.00 34.95 31.19 1rye s ARG 202 CO 0.48 -0.13 1.69 -0.09 -0.68 0.00 0.00 175.30 176.57 1rye h ARG 203 N 8.14 -0.01 -0.33 3.54 2.43 -1.88 -1.72 114.38 124.54 1rye h ARG 203 Ca -0.36 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1rye h ARG 203 Cb 1.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1rye h ARG 203 CO 0.58 -0.01 0.17 1.49 -1.51 0.00 0.00 179.97 180.69 1rye h GLU 204 N -0.01 0.45 0.15 0.20 4.81 -1.95 1.38 114.58 119.61 1rye h GLU 204 Ca 0.14 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 1rye h GLU 204 Cb 0.22 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1rye h GLU 204 CO -0.30 0.35 -1.28 -0.07 -0.73 0.00 0.00 179.01 176.98 1rye h LEU 205 N 0.46 0.50 0.00 1.64 3.38 -1.73 -3.38 115.31 116.18 1rye h LEU 205 Ca 0.12 -0.53 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1rye h LEU 205 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1rye h LEU 205 CO -0.02 1.41 -2.10 0.00 0.09 0.00 0.00 178.44 177.82 1rye n ALA 206 N -2.56 2.30 -0.97 1.53 0.00 -0.67 -0.33 120.51 119.81 1rye n ALA 206 Ca -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1rye n ALA 206 Cb 1.04 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1rye n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 207 N 1.44 0.29 0.00 0.00 0.00 0.47 -4.77 105.19 102.62 1rye n GLY 207 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1rye n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 208 N -1.19 -1.38 0.00 -0.02 0.00 -1.26 -4.99 105.19 96.35 1rye n GLY 208 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1rye n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 209 N -0.02 2.29 0.32 -0.02 0.00 -1.26 -4.75 105.19 101.75 1rye n GLY 209 Ca 0.00 -1.32 0.19 0.00 0.00 0.00 0.00 46.02 44.89 1rye n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rye h SER 210 N 0.00 0.00 -0.08 1.61 4.64 -1.67 -2.09 113.55 115.96 1rye h SER 210 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1rye h SER 210 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rye h SER 210 CO 0.00 0.00 -0.08 0.25 -0.87 0.00 0.00 176.83 176.13 1rye h LEU 211 N 0.00 0.22 -0.57 5.97 5.85 -1.87 0.61 115.31 125.52 1rye h LEU 211 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1rye h LEU 211 Cb 0.00 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1rye h LEU 211 CO 0.00 0.66 0.33 0.24 -0.34 0.00 0.00 178.44 179.33 1rye h MET 212 N -0.22 0.77 0.33 1.25 2.86 -1.72 -0.77 114.93 117.43 1rye h MET 212 Ca 0.01 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1rye h MET 212 Cb 0.60 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1rye h MET 212 CO 0.02 0.57 -0.16 0.22 1.06 0.00 0.00 176.91 178.62 1rye h ASP 213 N 0.76 -0.38 0.00 1.22 3.58 -1.41 -3.39 116.42 116.81 1rye h ASP 213 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1rye h ASP 213 Cb 0.00 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1rye h ASP 213 CO -0.04 0.05 -0.83 2.30 -2.88 0.00 0.00 179.24 177.84 1rye n ILE 214 N -4.95 0.00 0.31 2.25 -5.35 -0.15 -4.62 119.36 106.84 1rye n ILE 214 Ca -0.06 0.00 0.19 0.00 -0.27 0.00 0.00 62.75 62.62 1rye n ILE 214 Cb 0.17 -0.39 1.06 0.00 -1.74 0.00 0.00 39.64 38.75 1rye n ILE 214 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rye h GLY 215 N 0.00 0.00 1.90 3.28 0.00 0.27 -0.41 103.07 108.11 1rye h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rye h GLY 215 CO 0.00 0.00 0.07 1.19 0.00 0.00 0.00 176.54 177.80 1rye h ILE 216 N 0.00 1.03 -0.62 2.60 2.10 -1.35 -0.25 117.51 121.02 1rye h ILE 216 Ca 0.01 -0.05 -0.08 0.00 1.08 0.00 0.00 64.86 65.82 1rye h ILE 216 Cb 0.10 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 36.68 1rye h ILE 216 CO -0.00 0.03 0.07 1.88 -1.08 0.00 0.00 178.15 179.05 1rye h TYR 217 N 0.14 1.09 -0.23 2.19 0.05 -1.38 0.33 116.97 119.17 1rye h TYR 217 Ca 0.04 -0.15 -0.17 0.00 0.05 0.00 0.00 58.73 58.50 1rye h TYR 217 Cb -0.01 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.43 1rye h TYR 217 CO -0.00 0.94 -0.50 0.78 -1.05 0.00 0.00 178.16 178.32 1rye h GLY 218 N 1.03 0.82 0.85 3.88 0.00 -1.24 0.58 103.07 108.99 1rye h GLY 218 Ca 0.19 -0.99 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 1rye h GLY 218 CO 0.02 0.89 -0.03 -2.00 0.00 0.00 0.00 176.54 175.41 1rye h LEU 219 N 0.48 -0.07 -1.15 3.11 5.85 -0.88 -1.13 115.31 121.52 1rye h LEU 219 Ca 0.00 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1rye h LEU 219 Cb 1.11 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1rye h LEU 219 CO 0.11 0.09 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.01 1rye h ASN 220 N -0.24 0.39 -0.18 1.25 -0.73 -0.34 -2.64 115.58 113.09 1rye h ASN 220 Ca -0.01 -0.10 -0.18 0.00 1.87 0.00 0.00 56.30 57.87 1rye h ASN 220 Cb 0.21 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 38.70 1rye h ASN 220 CO 0.01 0.58 -0.60 1.23 -0.37 0.00 0.00 177.43 178.28 1rye h GLY 221 N 0.91 0.80 0.51 1.57 0.00 -0.78 -2.09 103.07 104.00 1rye h GLY 221 Ca 0.07 -1.05 0.09 0.00 0.00 0.00 0.00 47.33 46.44 1rye h GLY 221 CO 0.03 0.94 0.41 -0.84 0.00 0.00 0.00 176.54 177.08 1rye h THR 222 N 0.44 0.89 -0.40 4.70 2.02 -1.06 0.72 112.91 120.22 1rye h THR 222 Ca -0.02 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1rye h THR 222 Cb 1.22 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1rye h THR 222 CO 0.13 0.13 0.11 0.03 0.37 0.00 0.00 175.52 176.28 1rye h ARG 223 N 0.70 0.63 0.00 6.66 3.08 -1.33 -1.49 114.38 122.62 1rye h ARG 223 Ca 0.37 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 60.07 1rye h ARG 223 Cb 0.35 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1rye h ARG 223 CO -0.25 0.65 -1.12 0.10 -1.07 0.00 0.00 179.97 178.28 1rye h TYR 224 N 0.50 0.00 -0.43 3.04 -0.00 -0.84 0.11 116.97 119.35 1rye h TYR 224 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.79 1rye h TYR 224 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.00 1rye h TYR 224 CO 0.02 0.87 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.95 1rye h LEU 225 N 0.00 0.68 0.07 0.10 3.38 0.46 -3.12 115.31 116.88 1rye h LEU 225 Ca -0.09 -0.16 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 1rye h LEU 225 Cb 1.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 1rye h LEU 225 CO 0.10 0.76 -1.79 -0.07 0.09 0.00 0.00 178.44 177.53 1rye h LEU 226 N 0.66 0.24 0.00 1.67 3.38 -1.31 -3.48 115.31 116.47 1rye h LEU 226 Ca 0.13 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1rye h LEU 226 Cb 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rye h LEU 226 CO 0.02 1.44 0.00 0.61 0.09 0.00 0.00 178.44 180.60 1rye n GLY 227 N 1.75 0.50 3.40 0.83 0.00 0.36 -5.04 105.19 106.99 1rye n GLY 227 Ca -0.23 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1rye n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rye s GLU 228 N -3.61 1.67 0.04 1.61 2.02 -1.13 -5.01 118.70 114.29 1rye s GLU 228 Ca 0.00 -1.71 0.06 0.00 0.02 0.00 0.00 54.97 53.34 1rye s GLU 228 Cb 0.00 0.38 -0.03 0.00 0.10 0.00 0.00 34.13 34.58 1rye s GLU 228 CO 0.00 -0.65 -0.16 -1.21 0.02 0.00 0.00 175.26 173.26 1rye s GLU 229 N -3.53 2.15 0.39 1.61 0.41 -1.26 -4.62 118.70 113.85 1rye s GLU 229 Ca 0.33 -0.94 -0.26 0.00 -0.41 0.00 0.00 54.97 53.69 1rye s GLU 229 Cb 0.02 -2.24 -0.09 0.00 -1.78 0.00 0.00 34.13 30.04 1rye s GLU 229 CO 0.18 0.55 1.20 -2.14 -0.49 0.00 0.00 175.26 174.57 1rye s PRO 230 N -1.48 4.08 -0.00 0.39 0.02 -1.26 -4.38 135.00 132.36 1rye s PRO 230 Ca 0.15 1.93 0.13 0.00 0.02 0.00 0.00 61.00 63.23 1rye s PRO 230 Cb -0.11 -2.74 -0.14 0.00 0.02 0.00 0.00 34.50 31.53 1rye s PRO 230 CO 0.06 -0.33 0.51 0.44 -0.33 0.00 0.00 177.00 177.35 1rye n ILE 231 N 0.18 0.00 -3.71 2.83 -5.35 -0.22 -4.46 119.36 108.62 1rye n ILE 231 Ca 0.04 -0.21 -0.14 0.00 -0.27 0.00 0.00 62.75 62.16 1rye n ILE 231 Cb 0.45 0.91 -0.09 0.00 -1.74 0.00 0.00 39.64 39.18 1rye n ILE 231 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1rye s GLU 232 N -2.27 0.64 -0.02 6.28 2.12 -1.16 -1.74 118.70 122.54 1rye s GLU 232 Ca 0.04 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.58 1rye s GLU 232 Cb 0.09 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1rye s GLU 232 CO 0.52 -0.14 0.08 0.08 -0.54 0.00 0.00 175.26 175.25 1rye s VAL 233 N -0.57 0.02 0.04 3.70 1.01 -0.69 -1.95 120.40 121.95 1rye s VAL 233 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1rye s VAL 233 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1rye s VAL 233 CO 0.03 -0.10 -0.11 -0.13 0.00 0.00 0.00 175.10 174.79 1rye s ARG 234 N -0.29 0.76 0.24 2.72 0.52 0.44 -0.21 118.95 123.14 1rye s ARG 234 Ca -0.03 -0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 1rye s ARG 234 Cb -0.02 -0.71 0.01 0.00 0.52 0.00 0.00 34.95 34.74 1rye s ARG 234 CO 0.00 0.17 0.57 0.00 0.02 0.00 0.00 175.30 176.06 1rye s ALA 235 N -0.92 -0.77 -0.10 2.13 0.00 -1.26 0.84 121.76 121.68 1rye s ALA 235 Ca -0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1rye s ALA 235 Cb -0.08 0.93 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1rye s ALA 235 CO 0.01 -0.90 0.45 -0.47 0.00 0.00 0.00 175.76 174.85 1rye s TYR 236 N -3.94 -0.43 0.00 0.00 5.04 -0.05 -3.62 117.35 114.35 1rye s TYR 236 Ca 0.15 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1rye s TYR 236 Cb -0.02 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 1rye s TYR 236 CO 0.05 -0.35 -0.02 -0.08 -1.34 0.00 0.00 175.55 173.81 1rye s THR 237 N -0.48 0.10 -0.03 4.34 -1.32 -1.26 -0.26 115.64 116.73 1rye s THR 237 Ca -0.06 -0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.12 1rye s THR 237 Cb -0.03 -0.13 0.01 0.00 -1.51 0.00 0.00 72.50 70.84 1rye s THR 237 CO 0.03 -0.09 0.14 -0.47 -2.21 0.00 0.00 174.62 172.02 1rye s TYR 238 N -0.34 -0.07 -0.08 9.09 6.14 -0.56 -5.01 117.35 126.52 1rye s TYR 238 Ca -0.03 0.16 -0.07 0.00 0.64 0.00 0.00 57.07 57.77 1rye s TYR 238 Cb -0.02 0.01 0.02 0.00 0.42 0.00 0.00 41.96 42.39 1rye s TYR 238 CO -0.00 -0.16 0.22 -1.12 0.64 0.00 0.00 175.55 175.13 1rye s SER 239 N -0.51 -0.23 -0.09 4.32 0.01 -1.26 -2.84 113.70 113.09 1rye s SER 239 Ca -0.06 0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.35 1rye s SER 239 Cb -0.04 0.43 -0.07 0.00 0.21 0.00 0.00 66.02 66.56 1rye s SER 239 CO 0.01 -0.09 1.98 -0.62 0.41 0.00 0.00 173.24 174.93 1rye s ASP 240 N 0.29 6.13 0.04 2.44 -1.08 -1.26 -4.84 116.67 118.38 1rye s ASP 240 Ca -0.01 2.24 0.07 0.00 -0.52 0.00 0.00 52.55 54.33 1rye s ASP 240 Cb -0.03 -2.52 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 1rye s ASP 240 CO -0.01 -1.37 1.23 -0.81 0.52 0.00 0.00 175.17 174.73 1rye n PRO 241 N 7.93 0.02 0.00 4.34 -0.04 -1.26 -1.57 135.00 144.42 1rye n PRO 241 Ca 0.23 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1rye n PRO 241 Cb 0.43 -1.56 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 1rye n PRO 241 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rye n ASN 242 N -1.60 2.08 -4.61 3.54 3.02 -1.26 -4.87 115.26 111.56 1rye n ASN 242 Ca 0.01 -1.56 -0.41 0.00 -0.03 0.00 0.00 54.58 52.59 1rye n ASN 242 Cb 0.06 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1rye n ASN 242 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rye s ASP 243 N -2.26 6.53 0.65 6.41 -1.08 -0.61 -4.94 116.67 121.38 1rye s ASP 243 Ca 0.25 0.51 0.41 0.00 -0.52 0.00 0.00 52.55 53.20 1rye s ASP 243 Cb 0.19 -2.34 2.25 0.00 -1.46 0.00 0.00 42.92 41.56 1rye s ASP 243 CO 0.44 -0.47 2.31 1.05 0.52 0.00 0.00 175.17 179.02 1rye h GLU 244 N 8.12 0.00 -0.04 4.34 4.11 -1.89 -2.47 114.58 126.75 1rye h GLU 244 Ca -0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.02 1rye h GLU 244 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1rye h GLU 244 CO 0.80 0.00 -0.63 0.00 0.07 0.00 0.00 179.01 179.25 1rye h ARG 245 N 0.00 0.16 -0.65 1.06 3.08 -1.95 -3.31 114.38 112.77 1rye h ARG 245 Ca 0.00 -0.11 -0.27 0.00 0.07 0.00 0.00 59.98 59.67 1rye h ARG 245 Cb 0.08 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 29.98 1rye h ARG 245 CO -0.00 0.73 0.25 1.19 -1.07 0.00 0.00 179.97 181.08 1rye n PHE 246 N -3.83 2.07 0.25 3.04 3.72 -0.93 -4.56 117.46 117.22 1rye n PHE 246 Ca -0.02 -1.48 0.10 0.00 -0.05 0.00 0.00 57.45 56.00 1rye n PHE 246 Cb 0.63 -0.67 0.66 0.00 -0.94 0.00 0.00 39.48 39.16 1rye n PHE 246 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1rye h VAL 247 N 1.57 0.73 0.00 -4.37 2.07 -1.68 -3.35 116.25 111.23 1rye h VAL 247 Ca 0.34 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 1rye h VAL 247 Cb 2.20 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1rye h VAL 247 CO 0.69 0.14 -1.51 -0.62 0.02 0.00 0.00 177.57 176.29 1rye n GLU 248 N -3.83 0.20 -4.06 1.57 1.02 -1.26 -5.07 120.64 109.21 1rye n GLU 248 Ca -0.02 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.96 1rye n GLU 248 Cb 0.25 -0.92 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 1rye n GLU 248 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1rye s VAL 249 N -2.17 4.69 0.35 2.62 -7.23 -1.26 -4.85 120.40 112.54 1rye s VAL 249 Ca -0.13 -1.14 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 1rye s VAL 249 Cb 0.04 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 1rye s VAL 249 CO 0.17 -0.23 1.05 -1.83 -0.31 0.00 0.00 175.10 173.95 1rye s GLU 250 N -3.53 4.39 0.00 4.82 1.03 -1.26 -4.49 118.70 119.65 1rye s GLU 250 Ca 0.33 1.59 0.00 0.00 0.03 0.00 0.00 54.97 56.91 1rye s GLU 250 Cb -0.09 -2.81 0.00 0.00 -0.80 0.00 0.00 34.13 30.43 1rye s GLU 250 CO 0.25 0.04 0.00 -3.47 -1.33 0.00 0.00 175.26 170.75 1rye n ASP 251 N 0.46 0.00 -4.68 0.83 2.03 -1.26 -2.47 116.55 111.46 1rye n ASP 251 Ca 0.02 0.11 -0.35 0.00 0.52 0.00 0.00 54.79 55.10 1rye n ASP 251 Cb 0.48 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.59 1rye n ASP 251 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1rye s ARG 252 N -0.40 3.33 -0.06 -0.67 3.00 -1.13 -2.92 118.95 120.09 1rye s ARG 252 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 55.73 55.31 1rye s ARG 252 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 34.95 32.02 1rye s ARG 252 CO 0.00 0.58 0.15 -1.50 0.00 0.00 0.00 175.30 174.53 1rye s ILE 253 N -0.52 -0.00 -0.12 1.52 2.07 -1.12 -1.50 121.20 121.53 1rye s ILE 253 Ca 0.10 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 1rye s ILE 253 Cb -0.12 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.27 1rye s ILE 253 CO 0.02 0.00 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.26 1rye s ILE 254 N 0.11 1.57 0.03 2.00 1.01 0.64 -1.94 121.20 124.63 1rye s ILE 254 Ca -0.00 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1rye s ILE 254 Cb -0.01 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1rye s ILE 254 CO 0.00 0.45 -0.21 -1.66 0.00 0.00 0.00 174.94 173.52 1rye s TRP 255 N 1.01 1.89 -0.06 3.97 -2.14 -0.49 -0.87 118.94 122.24 1rye s TRP 255 Ca -0.06 -0.38 0.05 0.00 2.66 0.00 0.00 56.10 58.37 1rye s TRP 255 Cb -0.15 -1.14 -0.00 0.00 -3.10 0.00 0.00 33.47 29.08 1rye s TRP 255 CO -0.02 0.08 -0.22 -1.14 -2.66 0.00 0.00 176.95 172.99 1rye s GLN 256 N -1.08 2.38 0.19 3.25 -0.44 0.25 -1.88 119.66 122.33 1rye s GLN 256 Ca 0.08 -0.78 0.08 0.00 -2.50 0.00 0.00 55.36 52.24 1rye s GLN 256 Cb -0.09 -1.96 -0.04 0.00 -1.64 0.00 0.00 33.01 29.27 1rye s GLN 256 CO 0.01 0.27 -0.16 -1.64 0.50 0.00 0.00 175.29 174.27 1rye s MET 257 N 0.06 1.33 -0.02 1.67 -1.94 -0.49 -0.42 119.30 119.49 1rye s MET 257 Ca -0.08 -1.53 0.04 0.00 -1.71 0.00 0.00 55.69 52.41 1rye s MET 257 Cb -0.14 -1.25 -0.00 0.00 2.01 0.00 0.00 34.83 35.44 1rye s MET 257 CO 0.04 0.23 -0.13 0.50 -0.01 0.00 0.00 175.02 175.65 1rye s ARG 258 N -3.29 1.20 0.29 2.03 3.52 -0.82 -1.39 118.95 120.50 1rye s ARG 258 Ca 0.20 -0.46 0.09 0.00 -0.13 0.00 0.00 55.73 55.44 1rye s ARG 258 Cb -0.03 -1.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 1rye s ARG 258 CO 0.07 0.23 0.02 -0.06 -0.81 0.00 0.00 175.30 174.75 1rye s PHE 259 N -0.09 2.66 0.27 5.12 0.40 -0.02 -1.06 117.98 125.25 1rye s PHE 259 Ca 0.01 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1rye s PHE 259 Cb -0.08 -1.33 0.50 0.00 0.51 0.00 0.00 43.02 42.63 1rye s PHE 259 CO 0.00 0.54 1.84 -0.09 0.70 0.00 0.00 175.22 178.21 1rye h ARG 260 N 1.82 0.95 0.00 0.44 9.65 -1.87 0.13 114.38 125.50 1rye h ARG 260 Ca -0.44 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1rye h ARG 260 Cb 1.25 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1rye h ARG 260 CO 0.62 0.63 0.00 0.66 2.80 0.00 0.00 179.97 184.68 1rye h SER 261 N 0.98 0.00 0.00 -3.80 4.64 -1.95 -3.45 113.55 109.97 1rye h SER 261 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1rye h SER 261 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rye h SER 261 CO -0.25 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 1rye n GLY 262 N -0.81 0.28 3.75 -0.77 0.00 0.45 -5.06 105.19 103.04 1rye n GLY 262 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1rye n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rye s ALA 263 N -2.00 2.44 0.24 4.61 0.00 -1.26 -4.76 121.76 121.03 1rye s ALA 263 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.90 1rye s ALA 263 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1rye s ALA 263 CO 0.00 -1.33 0.00 -0.51 0.00 0.00 0.00 175.76 173.93 1rye s LEU 264 N -4.43 2.18 0.15 0.00 1.43 -1.00 -0.84 118.68 116.16 1rye s LEU 264 Ca 0.75 -1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 1rye s LEU 264 Cb -0.28 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1rye s LEU 264 CO 0.37 -0.52 0.48 -0.94 0.23 0.00 0.00 176.35 175.97 1rye s SER 265 N -3.32 -0.34 -0.18 2.29 1.04 -0.48 -1.49 113.70 111.22 1rye s SER 265 Ca 0.29 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 1rye s SER 265 Cb 0.06 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.78 1rye s SER 265 CO 0.09 -0.93 0.42 -1.38 0.98 0.00 0.00 173.24 172.43 1rye s HIS 266 N -3.80 -0.67 0.23 5.02 -3.43 -0.55 -1.39 115.29 110.70 1rye s HIS 266 Ca 0.04 1.37 -0.08 0.00 -0.80 0.00 0.00 55.06 55.59 1rye s HIS 266 Cb 0.00 0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 31.42 1rye s HIS 266 CO -0.11 -0.39 0.35 0.20 -2.00 0.00 0.00 174.74 172.80 1rye s GLY 267 N 1.75 0.91 0.14 -1.38 0.00 -0.79 -2.49 107.32 105.46 1rye s GLY 267 Ca -0.07 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1rye s GLY 267 CO -0.13 -0.93 0.32 0.00 0.00 0.00 0.00 173.10 172.36 1rye s ALA 268 N -4.04 -0.42 0.14 3.20 0.00 -1.01 -1.40 121.76 118.22 1rye s ALA 268 Ca 0.29 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1rye s ALA 268 Cb 0.02 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1rye s ALA 268 CO 0.11 -0.63 -0.16 -1.54 0.00 0.00 0.00 175.76 173.53 1rye s SER 269 N -2.88 2.38 -0.11 0.00 1.04 -0.82 -2.18 113.70 111.13 1rye s SER 269 Ca 0.09 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.59 1rye s SER 269 Cb 0.03 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1rye s SER 269 CO -0.06 -0.08 0.29 -0.55 0.98 0.00 0.00 173.24 173.81 1rye s SER 270 N -2.56 -0.30 0.00 7.02 0.15 -0.79 -2.81 113.70 114.41 1rye s SER 270 Ca 0.13 0.59 0.15 0.00 0.70 0.00 0.00 55.95 57.51 1rye s SER 270 Cb -0.05 0.57 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 1rye s SER 270 CO 0.05 -0.11 0.98 -1.22 1.20 0.00 0.00 173.24 174.13 1rye n TYR 271 N 3.19 0.02 -0.27 3.44 4.01 -1.15 -1.48 117.16 124.92 1rye n TYR 271 Ca -0.15 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1rye n TYR 271 Cb 0.57 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1rye n TYR 271 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1rye n SER 272 N 0.82 1.53 -4.39 7.72 3.41 -1.25 -1.22 113.62 120.24 1rye n SER 272 Ca 0.09 -1.80 -0.23 0.00 -0.26 0.00 0.00 58.87 56.67 1rye n SER 272 Cb 0.37 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1rye n SER 272 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rye s THR 273 N -0.81 2.08 0.79 6.66 -4.23 -1.26 -4.84 115.64 114.04 1rye s THR 273 Ca 0.01 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1rye s THR 273 Cb 0.01 -2.04 0.07 0.00 1.34 0.00 0.00 72.50 71.87 1rye s THR 273 CO 0.00 -0.32 1.11 0.42 -0.54 0.00 0.00 174.62 175.28 1rye s THR 274 N -2.19 2.94 -0.16 3.99 -4.23 -1.26 -1.94 115.64 112.79 1rye s THR 274 Ca 0.21 0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.87 1rye s THR 274 Cb -0.05 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 1rye s THR 274 CO 0.09 -0.40 0.55 0.41 -0.54 0.00 0.00 174.62 174.74 1rye n THR 275 N -3.37 0.00 -3.72 3.99 -1.04 -1.24 -4.42 114.28 104.48 1rye n THR 275 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1rye n THR 275 Cb 0.57 -0.16 -0.12 0.00 -1.82 0.00 0.00 70.33 68.80 1rye n THR 275 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1rye s THR 276 N 1.15 -0.03 -0.48 12.58 2.01 -0.93 -4.92 115.64 125.03 1rye s THR 276 Ca 0.35 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.52 1rye s THR 276 Cb -0.49 -0.50 0.18 0.00 0.01 0.00 0.00 72.50 71.70 1rye s THR 276 CO 0.26 0.04 0.58 -0.24 -0.69 0.00 0.00 174.62 174.57 1rye n SER 277 N 4.11 -2.27 -3.91 3.53 2.88 -1.24 -1.15 113.62 115.58 1rye n SER 277 Ca -0.23 -2.71 -0.27 0.00 -1.33 0.00 0.00 58.87 54.33 1rye n SER 277 Cb 0.55 0.83 -0.17 0.00 -0.75 0.00 0.00 64.21 64.67 1rye n SER 277 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1rye s ARG 278 N 0.53 1.54 0.26 -1.46 3.52 -0.88 -0.25 118.95 122.20 1rye s ARG 278 Ca 0.31 -0.31 0.10 0.00 -0.13 0.00 0.00 55.73 55.70 1rye s ARG 278 Cb 0.02 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 1rye s ARG 278 CO -0.11 -0.29 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.98 1rye s PHE 279 N 1.69 2.63 -0.15 5.12 0.08 0.05 -2.11 117.98 125.29 1rye s PHE 279 Ca 0.04 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 1rye s PHE 279 Cb -0.13 -1.18 0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1rye s PHE 279 CO -0.08 0.62 0.35 0.45 -0.10 0.00 0.00 175.22 176.46 1rye s SER 280 N -3.53 -0.34 -0.15 1.36 0.15 0.96 -1.98 113.70 110.17 1rye s SER 280 Ca 0.30 0.76 0.02 0.00 0.70 0.00 0.00 55.95 57.74 1rye s SER 280 Cb -0.07 0.71 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1rye s SER 280 CO 0.19 -0.19 -0.20 -0.69 1.20 0.00 0.00 173.24 173.54 1rye s VAL 281 N 1.57 1.97 -0.22 4.45 1.01 -0.53 -0.34 120.40 128.30 1rye s VAL 281 Ca -0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1rye s VAL 281 Cb -0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1rye s VAL 281 CO -0.11 0.53 0.06 -1.10 0.00 0.00 0.00 175.10 174.48 1rye s GLN 282 N 1.02 3.74 0.37 2.72 -0.21 0.30 -0.36 119.66 127.24 1rye s GLN 282 Ca -0.03 -0.45 0.08 0.00 0.02 0.00 0.00 55.36 54.99 1rye s GLN 282 Cb -0.15 -3.26 -0.07 0.00 1.00 0.00 0.00 33.01 30.54 1rye s GLN 282 CO -0.06 -0.03 -0.03 0.20 -2.12 0.00 0.00 175.29 173.25 1rye s GLY 283 N 1.18 2.31 0.00 3.09 0.00 -0.70 0.54 107.32 113.75 1rye s GLY 283 Ca 0.04 -2.17 0.25 0.00 0.00 0.00 0.00 44.72 42.84 1rye s GLY 283 CO 0.03 -2.04 1.92 2.09 0.00 0.00 0.00 173.10 175.10 1rye n ASP 284 N -0.90 0.00 -0.06 1.64 5.75 -0.81 -3.53 116.55 118.64 1rye n ASP 284 Ca -0.05 -1.11 -0.10 0.00 -0.01 0.00 0.00 54.79 53.52 1rye n ASP 284 Cb 0.65 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.68 1rye n ASP 284 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1rye n LYS 285 N -0.91 0.30 -3.68 0.11 4.81 0.14 -4.97 118.16 113.96 1rye n LYS 285 Ca 0.19 0.09 -0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1rye n LYS 285 Cb 0.09 -1.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 1rye n LYS 285 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rye s ALA 286 N -2.25 -1.46 -0.13 3.14 0.00 -0.27 -4.50 121.76 116.29 1rye s ALA 286 Ca -0.17 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1rye s ALA 286 Cb 0.05 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1rye s ALA 286 CO 0.27 -0.93 -0.17 0.08 0.00 0.00 0.00 175.76 175.02 1rye s VAL 287 N -3.69 2.67 0.03 0.00 1.01 -0.62 -1.71 120.40 118.10 1rye s VAL 287 Ca 0.08 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1rye s VAL 287 Cb -0.03 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1rye s VAL 287 CO -0.01 0.53 0.42 -0.22 0.00 0.00 0.00 175.10 175.82 1rye s LEU 288 N 0.47 4.43 -0.11 3.92 2.96 0.51 -1.56 118.68 129.30 1rye s LEU 288 Ca -0.12 0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1rye s LEU 288 Cb -0.16 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.81 1rye s LEU 288 CO 0.05 0.27 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.09 1rye s LEU 289 N -1.37 1.02 -0.20 -0.68 2.96 -0.09 -1.45 118.68 118.87 1rye s LEU 289 Ca 0.27 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1rye s LEU 289 Cb -0.16 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.85 1rye s LEU 289 CO 0.15 -0.17 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.88 1rye s MET 290 N 1.81 3.30 -0.30 1.98 -1.94 -0.84 -0.95 119.30 122.35 1rye s MET 290 Ca 0.04 -0.68 -0.17 0.00 -1.71 0.00 0.00 55.69 53.17 1rye s MET 290 Cb -0.13 -2.85 0.17 0.00 2.01 0.00 0.00 34.83 34.03 1rye s MET 290 CO -0.07 -0.13 1.20 0.34 -0.01 0.00 0.00 175.02 176.35 1rye s ASP 291 N 1.25 -0.16 0.56 3.03 2.15 0.97 -0.77 116.67 123.70 1rye s ASP 291 Ca 0.03 0.11 -0.21 0.00 0.43 0.00 0.00 52.55 52.90 1rye s ASP 291 Cb -0.14 1.13 -0.04 0.00 -0.30 0.00 0.00 42.92 43.57 1rye s ASP 291 CO -0.04 -0.03 1.32 -2.84 -0.17 0.00 0.00 175.17 173.41 1rye s PRO 292 N 2.92 3.07 -0.24 4.34 0.02 -1.26 -4.11 135.00 139.74 1rye s PRO 292 Ca -0.08 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.10 1rye s PRO 292 Cb -0.08 -2.16 -0.16 0.00 0.02 0.00 0.00 34.50 32.11 1rye s PRO 292 CO -0.08 -1.21 -0.20 0.00 -0.33 0.00 0.00 177.00 175.17 1rye n ALA 293 N -1.19 1.48 -2.14 -1.55 0.00 0.65 -1.85 120.51 115.90 1rye n ALA 293 Ca 0.11 -1.05 -0.00 0.00 0.00 0.00 0.00 53.44 52.50 1rye n ALA 293 Cb 0.46 -0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.94 1rye n ALA 293 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rye n THR 294 N -3.18 1.38 -1.70 0.00 -2.24 -1.26 -4.80 114.28 102.47 1rye n THR 294 Ca -0.42 -2.59 -0.29 0.00 -2.27 0.00 0.00 64.05 58.47 1rye n THR 294 Cb 0.97 0.26 0.15 0.00 -2.10 0.00 0.00 70.33 69.61 1rye n THR 294 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rye s GLY 295 N -2.95 1.65 0.34 3.38 0.00 -1.26 -4.99 107.32 103.48 1rye s GLY 295 Ca 0.37 -0.83 0.18 0.00 0.00 0.00 0.00 44.72 44.44 1rye s GLY 295 CO -0.08 -0.18 1.54 -0.97 0.00 0.00 0.00 173.10 173.41 1rye h TYR 296 N -1.57 0.00 0.00 1.90 0.05 -2.01 -3.45 116.97 111.89 1rye h TYR 296 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1rye h TYR 296 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1rye h TYR 296 CO -0.48 0.36 0.00 0.66 -1.05 0.00 0.00 178.16 177.65 1rye n TYR 297 N -3.23 -0.21 -3.78 4.88 4.01 -1.26 -4.96 117.16 112.60 1rye n TYR 297 Ca 0.02 0.04 -0.36 0.00 -0.16 0.00 0.00 57.90 57.44 1rye n TYR 297 Cb 0.64 0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.64 1rye n TYR 297 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1rye s GLN 298 N -1.52 2.10 -0.11 -0.72 0.74 -1.26 -5.08 119.66 113.81 1rye s GLN 298 Ca 0.00 -1.72 -0.06 0.00 0.05 0.00 0.00 55.36 53.63 1rye s GLN 298 Cb 0.00 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 1rye s GLN 298 CO 0.00 -1.00 0.12 -0.80 -0.55 0.00 0.00 175.29 173.05 1rye s ASN 299 N 1.77 6.18 -0.05 6.67 0.01 -1.26 -4.38 114.94 123.88 1rye s ASN 299 Ca 0.06 0.41 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 1rye s ASN 299 Cb -0.22 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.48 1rye s ASN 299 CO -0.03 0.40 -0.11 -0.76 -1.51 0.00 0.00 177.10 175.09 1rye s LEU 300 N -0.99 1.68 -0.02 0.60 1.43 -0.77 -4.89 118.68 115.72 1rye s LEU 300 Ca 0.15 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1rye s LEU 300 Cb -0.12 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1rye s LEU 300 CO 0.04 0.05 -0.04 0.27 0.23 0.00 0.00 176.35 176.89 1rye s ILE 301 N 0.49 0.41 0.29 -0.59 -4.36 -1.26 -0.02 121.20 116.16 1rye s ILE 301 Ca -0.10 -0.15 0.02 0.00 -0.26 0.00 0.00 60.65 60.17 1rye s ILE 301 Cb -0.13 -0.40 -0.06 0.00 1.25 0.00 0.00 42.46 43.12 1rye s ILE 301 CO 0.02 0.15 0.08 -0.94 0.24 0.00 0.00 174.94 174.50 1rye s SER 302 N 0.34 1.72 -0.05 4.36 1.04 -0.13 -4.98 113.70 116.02 1rye s SER 302 Ca -0.04 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.03 1rye s SER 302 Cb -0.07 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1rye s SER 302 CO -0.00 -0.68 -0.08 -0.69 0.98 0.00 0.00 173.24 172.77 1rye s VAL 303 N -3.55 0.78 -0.14 5.02 1.01 -1.26 -0.91 120.40 121.36 1rye s VAL 303 Ca 0.37 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1rye s VAL 303 Cb 0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1rye s VAL 303 CO 0.15 0.27 -0.13 -1.10 0.00 0.00 0.00 175.10 174.28 1rye s GLN 304 N 0.67 3.34 0.15 2.72 -0.21 -0.60 -4.97 119.66 120.76 1rye s GLN 304 Ca -0.11 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 54.65 1rye s GLN 304 Cb -0.14 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1rye s GLN 304 CO 0.02 0.16 -0.07 0.95 -2.12 0.00 0.00 175.29 174.22 1rye s THR 305 N 0.49 3.43 -0.57 -0.19 -4.23 -1.26 -1.59 115.64 111.72 1rye s THR 305 Ca -0.09 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1rye s THR 305 Cb -0.16 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1rye s THR 305 CO 0.04 -0.02 0.00 -2.65 -0.54 0.00 0.00 174.62 171.46 1rye n PRO 306 N 0.27 0.00 -0.00 3.99 -0.02 -1.26 -5.06 135.00 132.92 1rye n PRO 306 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1rye n PRO 306 Cb 0.54 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 1rye n PRO 306 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rye n PRO 320 N 0.05 0.00 -3.64 0.52 -0.02 -1.26 -5.25 135.00 125.39 1rye n PRO 320 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1rye n PRO 320 Cb 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 33.50 33.39 1rye n PRO 320 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rye s ALA 321 N -2.01 -2.16 0.56 3.55 0.00 -1.26 -5.15 121.76 115.29 1rye s ALA 321 Ca 0.00 1.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.77 1rye s ALA 321 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 1rye s ALA 321 CO 0.00 -0.26 1.03 1.21 0.00 0.00 0.00 175.76 177.74 1rye s ASN 322 N 0.63 6.14 0.20 0.00 3.84 -1.26 -4.99 114.94 119.49 1rye s ASN 322 Ca -0.01 1.70 -0.30 0.00 0.21 0.00 0.00 52.86 54.46 1rye s ASN 322 Cb -0.04 -2.52 -0.09 0.00 -0.55 0.00 0.00 41.25 38.05 1rye s ASN 322 CO -0.11 -0.92 1.35 0.54 -2.79 0.00 0.00 177.10 175.17 1rye s ASN 323 N -2.95 6.84 0.34 -4.21 2.20 -1.26 -4.69 114.94 111.21 1rye s ASN 323 Ca 0.61 2.44 0.21 0.00 -0.94 0.00 0.00 52.86 55.19 1rye s ASN 323 Cb -0.13 -2.61 1.23 0.00 -2.00 0.00 0.00 41.25 37.74 1rye s ASN 323 CO 0.35 -0.58 1.40 0.00 -2.94 0.00 0.00 177.10 175.33 1rye n GLN 324 N 2.76 -0.05 -0.04 3.55 10.64 -1.26 0.05 117.38 133.02 1rye n GLN 324 Ca 0.07 1.19 -0.11 0.00 -1.83 0.00 0.00 57.00 56.32 1rye n GLN 324 Cb 0.42 -2.20 -0.05 0.00 -0.86 0.00 0.00 30.24 27.55 1rye n GLN 324 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1rye h PHE 325 N 0.00 0.26 -0.33 2.61 0.04 -1.90 -2.06 116.94 115.56 1rye h PHE 325 Ca 0.76 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 61.40 1rye h PHE 325 Cb 2.13 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 40.20 1rye h PHE 325 CO -0.01 0.38 -0.18 0.77 -0.60 0.00 0.00 178.31 178.68 1rye h SER 326 N 0.07 0.72 0.17 2.17 0.02 -0.53 -2.89 113.55 113.27 1rye h SER 326 Ca 0.05 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1rye h SER 326 Cb 0.25 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1rye h SER 326 CO -0.00 0.98 -0.08 0.00 -1.14 0.00 0.00 176.83 176.58 1rye h ALA 327 N 0.77 1.53 0.06 3.77 0.00 -1.15 -2.31 119.26 121.92 1rye h ALA 327 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rye h ALA 327 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rye h ALA 327 CO 0.05 0.10 -0.03 0.37 0.00 0.00 0.00 179.25 179.74 1rye h GLN 328 N 0.00 -0.08 -0.54 0.00 4.15 -1.29 -2.78 115.11 114.57 1rye h GLN 328 Ca -0.00 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1rye h GLN 328 Cb 0.19 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.80 1rye h GLN 328 CO 0.01 0.46 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.22 1rye h LEU 329 N -0.92 -0.41 -0.44 -2.39 3.38 -1.30 0.15 115.31 113.38 1rye h LEU 329 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rye h LEU 329 Cb 0.58 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1rye h LEU 329 CO 0.01 -0.15 0.00 0.47 0.09 0.00 0.00 178.44 178.86 1rye n ASP 330 N -5.34 0.72 -0.07 -0.43 8.00 -0.89 -3.04 116.55 115.50 1rye n ASP 330 Ca 0.06 0.63 -0.12 0.00 0.71 0.00 0.00 54.79 56.07 1rye n ASP 330 Cb 0.29 -0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 40.54 1rye n ASP 330 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1rye h HIS 331 N 0.00 0.48 -0.54 1.24 2.76 -0.66 0.20 115.15 118.63 1rye h HIS 331 Ca 0.00 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1rye h HIS 331 Cb 0.50 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1rye h HIS 331 CO 0.00 0.68 0.13 1.25 -1.30 0.00 0.00 177.93 178.69 1rye h LEU 332 N 0.14 0.76 0.31 0.26 5.85 -1.47 0.76 115.31 121.93 1rye h LEU 332 Ca 0.05 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1rye h LEU 332 Cb 0.53 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1rye h LEU 332 CO 0.02 0.75 -0.15 0.00 -0.34 0.00 0.00 178.44 178.72 1rye h ALA 333 N 1.35 -0.42 0.10 1.25 0.00 -1.40 -0.87 119.26 119.27 1rye h ALA 333 Ca 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rye h ALA 333 Cb 0.29 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1rye h ALA 333 CO -0.00 -0.71 -0.38 0.93 0.00 0.00 0.00 179.25 179.08 1rye h GLU 334 N -0.47 -0.58 -0.90 0.00 4.39 -0.20 0.38 114.58 117.19 1rye h GLU 334 Ca -0.04 0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.89 1rye h GLU 334 Cb 0.35 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.02 1rye h GLU 334 CO 0.07 -0.39 0.44 0.00 -1.16 0.00 0.00 179.01 177.98 1rye h ALA 335 N -0.04 1.43 0.04 3.43 0.00 -0.73 0.64 119.26 124.04 1rye h ALA 335 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rye h ALA 335 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rye h ALA 335 CO -0.24 -0.23 -0.02 0.28 0.00 0.00 0.00 179.25 179.05 1rye h VAL 336 N 0.52 1.19 -0.17 0.00 2.07 -0.61 0.30 116.25 119.56 1rye h VAL 336 Ca 0.54 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1rye h VAL 336 Cb 0.93 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1rye h VAL 336 CO -0.46 0.37 -0.07 0.40 0.02 0.00 0.00 177.57 177.84 1rye h ILE 337 N -0.92 0.77 -0.50 4.57 2.04 0.09 -2.12 117.51 121.45 1rye h ILE 337 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1rye h ILE 337 Cb 0.65 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1rye h ILE 337 CO 0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.75 1rye n ASN 338 N -5.21 3.11 -4.06 1.72 5.03 0.22 -4.97 115.26 111.09 1rye n ASN 338 Ca -0.03 -2.13 -0.45 0.00 0.87 0.00 0.00 54.58 52.84 1rye n ASN 338 Cb 0.14 -0.41 0.02 0.00 -1.02 0.00 0.00 39.78 38.51 1rye n ASN 338 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1rye n ASN 339 N 0.92 -4.16 -4.15 6.41 3.02 0.13 -4.96 115.26 112.47 1rye n ASN 339 Ca 0.18 -1.27 -0.15 0.00 -0.03 0.00 0.00 54.58 53.30 1rye n ASN 339 Cb 0.53 -1.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.02 1rye n ASN 339 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1rye s LYS 340 N -7.21 0.77 0.56 3.52 1.02 0.82 -5.00 119.74 114.23 1rye s LYS 340 Ca 0.44 -1.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.21 1rye s LYS 340 Cb -0.24 -0.55 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 1rye s LYS 340 CO 0.97 0.10 0.85 -0.35 -0.92 0.00 0.00 175.35 175.99 1rye n PRO 341 N 0.91 0.86 -3.68 -1.68 -0.04 -1.26 -4.42 135.00 125.70 1rye n PRO 341 Ca -0.19 0.33 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 1rye n PRO 341 Cb 0.56 -2.01 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 1rye n PRO 341 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rye s VAL 342 N -1.53 5.22 0.03 0.52 0.11 -1.26 -4.86 120.40 118.62 1rye s VAL 342 Ca 0.72 0.33 0.23 0.00 -2.93 0.00 0.00 61.98 60.32 1rye s VAL 342 Cb -0.45 -3.60 0.23 0.00 -1.53 0.00 0.00 36.38 31.03 1rye s VAL 342 CO 0.51 0.37 1.76 0.03 -3.33 0.00 0.00 175.10 174.43 1rye h ARG 343 N 4.00 0.00 -2.27 1.54 3.08 -1.96 -3.34 114.38 115.43 1rye h ARG 343 Ca -0.50 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 58.93 1rye h ARG 343 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.84 1rye h ARG 343 CO 0.65 0.23 -0.45 0.43 -1.07 0.00 0.00 179.97 179.77 1rye n SER 344 N -3.31 4.17 -4.77 7.04 7.64 -1.26 -4.95 113.62 118.18 1rye n SER 344 Ca 0.01 -3.48 -0.30 0.00 1.01 0.00 0.00 58.87 56.10 1rye n SER 344 Cb 0.48 -0.72 0.10 0.00 -1.01 0.00 0.00 64.21 63.06 1rye n SER 344 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rye s PRO 345 N -2.68 2.00 0.43 1.43 0.04 -1.26 -0.82 135.00 134.14 1rye s PRO 345 Ca 0.40 0.91 0.17 0.00 0.04 0.00 0.00 61.00 62.52 1rye s PRO 345 Cb 0.16 -1.89 1.08 0.00 0.04 0.00 0.00 34.50 33.89 1rye s PRO 345 CO -0.02 -1.75 1.92 0.78 0.04 0.00 0.00 177.00 177.96 1rye h GLY 346 N -1.20 0.67 0.95 0.56 0.00 -1.88 0.39 103.07 102.56 1rye h GLY 346 Ca -0.46 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1rye h GLY 346 CO 0.55 0.05 0.57 0.83 0.00 0.00 0.00 176.54 178.54 1rye h GLU 347 N 0.39 1.10 -0.50 4.80 3.07 -1.91 0.45 114.58 121.97 1rye h GLU 347 Ca 0.38 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1rye h GLU 347 Cb 0.91 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1rye h GLU 347 CO -0.12 0.73 0.27 1.49 -1.40 0.00 0.00 179.01 179.98 1rye h GLU 348 N 1.14 0.69 -0.83 2.33 4.57 -1.27 0.37 114.58 121.59 1rye h GLU 348 Ca 0.33 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1rye h GLU 348 Cb -0.07 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 1rye h GLU 348 CO -0.09 0.55 0.55 0.78 -1.18 0.00 0.00 179.01 179.61 1rye h GLY 349 N 0.66 1.16 0.95 1.92 0.00 -1.02 -2.46 103.07 104.28 1rye h GLY 349 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1rye h GLY 349 CO -0.03 0.43 0.18 1.98 0.00 0.00 0.00 176.54 179.10 1rye h MET 350 N 1.12 0.53 -0.65 4.80 1.85 -0.30 -2.68 114.93 119.60 1rye h MET 350 Ca 0.30 -0.08 0.09 0.00 -0.61 0.00 0.00 59.70 59.41 1rye h MET 350 Cb -0.13 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 31.73 1rye h MET 350 CO -0.07 0.47 0.28 0.37 -0.40 0.00 0.00 176.91 177.57 1rye h GLN 351 N 0.46 0.48 -0.60 0.39 5.75 -0.49 -0.56 115.11 120.53 1rye h GLN 351 Ca 0.13 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1rye h GLN 351 Cb 0.12 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1rye h GLN 351 CO -0.02 0.32 0.18 -0.44 -2.65 0.00 0.00 178.83 176.22 1rye h ASP 352 N 0.49 0.88 -0.49 -0.69 3.32 -1.26 -0.74 116.42 117.92 1rye h ASP 352 Ca 0.33 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1rye h ASP 352 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1rye h ASP 352 CO -0.29 0.86 0.18 0.58 -1.72 0.00 0.00 179.24 178.85 1rye h VAL 353 N 0.86 1.22 -0.53 -1.35 2.07 -1.09 0.40 116.25 117.83 1rye h VAL 353 Ca 0.19 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1rye h VAL 353 Cb 0.30 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1rye h VAL 353 CO -0.00 0.26 0.18 -0.09 0.02 0.00 0.00 177.57 177.94 1rye h ARG 354 N 0.66 0.78 -0.04 1.57 2.43 -0.90 0.08 114.38 118.96 1rye h ARG 354 Ca 0.16 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1rye h ARG 354 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1rye h ARG 354 CO -0.01 0.66 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.44 1rye h LEU 355 N 0.77 0.16 -0.61 3.80 3.38 -0.67 -2.29 115.31 119.85 1rye h LEU 355 Ca 0.18 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1rye h LEU 355 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1rye h LEU 355 CO -0.01 0.72 -0.59 0.40 0.09 0.00 0.00 178.44 179.05 1rye h ILE 356 N 0.10 1.36 0.00 1.22 2.04 0.03 -0.96 117.51 121.31 1rye h ILE 356 Ca -0.01 -1.92 -0.09 0.00 1.00 0.00 0.00 64.86 63.84 1rye h ILE 356 Cb 1.09 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1rye h ILE 356 CO 0.09 0.58 -0.45 -0.61 0.00 0.00 0.00 178.15 177.75 1rye h GLN 357 N 0.26 0.00 -0.17 2.37 4.15 -0.82 -0.41 115.11 120.49 1rye h GLN 357 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 1rye h GLN 357 Cb 1.11 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.81 1rye h GLN 357 CO 0.10 0.45 -0.76 0.00 -1.93 0.00 0.00 178.83 176.69 1rye h ALA 358 N 1.55 0.32 -0.38 3.38 0.00 -1.09 -2.01 119.26 121.03 1rye h ALA 358 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1rye h ALA 358 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rye h ALA 358 CO 0.06 0.68 -0.04 0.82 0.00 0.00 0.00 179.25 180.76 1rye h ILE 359 N 0.56 1.27 -0.77 0.00 2.04 -0.91 -0.45 117.51 119.25 1rye h ILE 359 Ca -0.05 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1rye h ILE 359 Cb 1.39 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1rye h ILE 359 CO 0.16 0.36 0.49 1.88 0.00 0.00 0.00 178.15 181.04 1rye h TYR 360 N 0.52 0.98 -0.31 1.37 0.05 -1.07 0.69 116.97 119.20 1rye h TYR 360 Ca 0.10 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1rye h TYR 360 Cb 0.54 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1rye h TYR 360 CO 0.04 0.63 -0.11 1.49 -1.05 0.00 0.00 178.16 179.16 1rye h GLU 361 N 1.05 0.62 -0.09 4.88 4.81 -1.14 -0.86 114.58 123.85 1rye h GLU 361 Ca 0.28 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rye h GLU 361 Cb -0.09 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1rye h GLU 361 CO -0.06 0.83 0.06 0.00 -0.73 0.00 0.00 179.01 179.11 1rye h ALA 362 N 0.78 0.12 -0.67 2.92 0.00 -0.47 -0.05 119.26 121.88 1rye h ALA 362 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1rye h ALA 362 Cb 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1rye h ALA 362 CO 0.04 -0.37 0.45 0.00 0.00 0.00 0.00 179.25 179.36 1rye h ALA 363 N 0.99 1.89 -0.11 0.00 0.00 -0.80 0.82 119.26 122.05 1rye h ALA 363 Ca 0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1rye h ALA 363 Cb 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rye h ALA 363 CO -0.01 -0.03 -0.84 -0.09 0.00 0.00 0.00 179.25 178.28 1rye h ARG 364 N 0.55 0.76 0.00 0.00 2.43 -0.26 -3.34 114.38 114.53 1rye h ARG 364 Ca 0.31 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1rye h ARG 364 Cb 0.47 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1rye h ARG 364 CO -0.10 1.27 -1.45 0.25 -1.51 0.00 0.00 179.97 178.43 1rye n THR 365 N -3.93 0.15 -1.24 0.20 -2.24 -0.12 -4.96 114.28 102.13 1rye n THR 365 Ca -0.09 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1rye n THR 365 Cb 0.78 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1rye n THR 365 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rye n GLY 366 N 1.30 1.02 3.47 3.38 0.00 0.28 -5.01 105.19 109.64 1rye n GLY 366 Ca -0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1rye n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rye s ARG 367 N -2.62 1.69 0.40 1.61 3.52 -1.22 -5.02 118.95 117.30 1rye s ARG 367 Ca 0.00 -1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 53.82 1rye s ARG 367 Cb 0.00 -1.90 -0.08 0.00 -1.56 0.00 0.00 34.95 31.41 1rye s ARG 367 CO 0.00 0.39 1.15 -1.25 -0.81 0.00 0.00 175.30 174.77 1rye s PRO 368 N -2.94 4.05 -0.15 5.12 0.04 -1.26 -4.53 135.00 135.32 1rye s PRO 368 Ca 0.24 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1rye s PRO 368 Cb -0.07 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1rye s PRO 368 CO 0.12 -0.31 -0.13 0.08 0.04 0.00 0.00 177.00 176.81 1rye s VAL 369 N -1.47 2.93 0.01 -0.36 1.01 0.71 -4.94 120.40 118.29 1rye s VAL 369 Ca 0.58 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1rye s VAL 369 Cb -0.29 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1rye s VAL 369 CO 0.36 0.51 1.34 0.21 0.00 0.00 0.00 175.10 177.52 1rye s ASN 370 N 0.70 6.91 -0.08 3.32 3.84 -1.26 -1.71 114.94 126.66 1rye s ASN 370 Ca -0.06 2.08 0.12 0.00 0.21 0.00 0.00 52.86 55.21 1rye s ASN 370 Cb -0.15 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.17 1rye s ASN 370 CO 0.02 -0.65 1.09 0.35 -2.79 0.00 0.00 177.10 175.11 1rye n THR 371 N 4.46 1.51 -2.25 -5.21 -2.24 -0.71 -4.91 114.28 104.93 1rye n THR 371 Ca 0.12 -1.75 -0.43 0.00 -2.27 0.00 0.00 64.05 59.72 1rye n THR 371 Cb 0.44 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1rye n THR 371 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rye n ASP 372 N -1.07 4.55 -0.73 3.42 -0.08 -1.20 -4.62 116.55 116.81 1rye n ASP 372 Ca 0.10 -2.91 0.06 0.00 -1.51 0.00 0.00 54.79 50.54 1rye n ASP 372 Cb 0.53 -1.67 0.18 0.00 2.34 0.00 0.00 41.12 42.50 1rye n ASP 372 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1rye n TRP 373 N 6.79 0.58 -2.52 -0.67 2.14 -1.26 -5.01 117.44 117.49 1rye n TRP 373 Ca 0.48 -0.56 -0.05 0.00 2.07 0.00 0.00 57.50 59.44 1rye n TRP 373 Cb 0.42 -0.07 0.01 0.00 -0.81 0.00 0.00 31.31 30.86 1rye n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1rye n GLY 374 N 0.44 0.46 3.77 -1.67 0.00 -1.26 -5.04 105.19 101.89 1rye n GLY 374 Ca 0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1rye n GLY 374 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rye s TYR 375 N -2.78 2.80 -0.04 1.61 5.04 -1.26 -5.03 117.35 117.68 1rye s TYR 375 Ca 0.09 1.54 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 1rye s TYR 375 Cb -0.04 -3.36 0.02 0.00 0.35 0.00 0.00 41.96 38.94 1rye s TYR 375 CO 0.11 -1.55 -0.04 0.08 -1.34 0.00 0.00 175.55 172.81 1rye s VAL 376 N -1.61 0.48 0.11 3.14 1.01 -1.26 -4.99 120.40 117.28 1rye s VAL 376 Ca 0.67 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1rye s VAL 376 Cb -0.27 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 1rye s VAL 376 CO 0.32 0.21 0.97 -0.60 0.00 0.00 0.00 175.10 176.01 1rye s ARG 377 N 0.93 4.69 0.00 2.72 6.06 -1.26 -5.02 118.95 127.06 1rye s ARG 377 Ca -0.11 1.47 0.00 0.00 -2.50 0.00 0.00 55.73 54.59 1rye s ARG 377 Cb -0.14 -3.37 0.00 0.00 0.06 0.00 0.00 34.95 31.49 1rye s ARG 377 CO -0.00 0.20 0.00 0.94 -2.50 0.00 0.00 175.30 173.93 1rye n GLN 378 N 2.80 0.00 -1.19 5.12 7.27 -1.26 -3.94 117.38 126.18 1rye n GLN 378 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.88 1rye n GLN 378 Cb 0.49 -0.19 0.16 0.00 2.41 0.00 0.00 30.24 33.10 1rye n GLN 378 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rye n GLY 379 N 0.00 4.94 0.00 1.69 0.00 -1.26 -5.03 105.19 105.53 1rye n GLY 379 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1rye n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 380 N -1.08 2.29 0.00 -0.02 0.00 -1.25 -5.15 105.19 99.97 1rye n GLY 380 Ca 0.54 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1rye n GLY 380 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60