#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fml s ARG 5 N 0.00 4.26 0.94 3.44 3.52 -1.26 -5.02 118.95 124.83 3fml s ARG 5 Ca 0.00 1.79 -0.11 0.00 -0.13 0.00 0.00 55.73 57.27 3fml s ARG 5 Cb 0.00 -3.70 0.15 0.00 -1.56 0.00 0.00 34.95 29.84 3fml s ARG 5 CO 0.00 -0.63 1.09 -1.25 -0.81 0.00 0.00 175.30 173.70 3fml s PRO 6 N 3.04 0.92 -0.01 5.12 0.04 -1.26 -5.01 135.00 137.83 3fml s PRO 6 Ca 0.59 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.38 3fml s PRO 6 Cb -0.26 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3fml s PRO 6 CO 0.21 -2.53 0.77 0.99 0.04 0.00 0.00 177.00 176.48 3fml s THR 7 N -2.79 4.90 0.06 1.26 2.01 -1.26 -4.99 115.64 114.83 3fml s THR 7 Ca 0.65 1.62 0.02 0.00 0.31 0.00 0.00 61.69 64.28 3fml s THR 7 Cb -0.20 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 3fml s THR 7 CO 0.58 0.28 0.12 -0.36 -0.69 0.00 0.00 174.62 174.55 3fml s PHE 8 N 0.52 3.30 0.06 4.92 0.40 -1.26 -1.47 117.98 124.45 3fml s PHE 8 Ca 0.40 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.95 3fml s PHE 8 Cb -0.19 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 3fml s PHE 8 CO 0.22 0.55 -0.19 1.52 0.70 0.00 0.00 175.22 178.01 3fml s TYR 9 N -1.40 1.67 0.20 0.36 -0.85 -0.06 -4.91 117.35 112.37 3fml s TYR 9 Ca 0.30 -0.38 -0.06 0.00 -0.52 0.00 0.00 57.07 56.41 3fml s TYR 9 Cb -0.12 -0.97 -0.06 0.00 0.38 0.00 0.00 41.96 41.18 3fml s TYR 9 CO 0.23 0.11 0.47 1.03 -1.52 0.00 0.00 175.55 175.86 3fml s ARG 10 N -1.36 3.68 -0.29 -3.49 0.52 -1.26 -2.38 118.95 114.37 3fml s ARG 10 Ca 0.06 0.04 -0.16 0.00 -0.52 0.00 0.00 55.73 55.15 3fml s ARG 10 Cb -0.09 -2.74 0.14 0.00 0.52 0.00 0.00 34.95 32.78 3fml s ARG 10 CO 0.02 0.36 0.95 -1.14 0.02 0.00 0.00 175.30 175.52 3fml s GLN 11 N -2.92 0.40 -0.00 3.54 0.74 -0.01 -4.99 119.66 116.42 3fml s GLN 11 Ca 0.44 0.71 -0.21 0.00 0.05 0.00 0.00 55.36 56.35 3fml s GLN 11 Cb -0.11 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 3fml s GLN 11 CO 0.25 -0.09 0.60 -2.00 -0.55 0.00 0.00 175.29 173.50 3fml s GLU 12 N 1.49 4.32 0.00 1.67 2.12 -1.26 0.40 118.70 127.45 3fml s GLU 12 Ca -0.08 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.00 3fml s GLU 12 Cb -0.04 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.01 3fml s GLU 12 CO -0.16 0.37 0.00 1.28 -0.54 0.00 0.00 175.26 176.21 3fml n LEU 13 N 2.72 0.00 -2.18 2.70 4.77 -0.22 -4.88 117.00 119.90 3fml n LEU 13 Ca -0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 3fml n LEU 13 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3fml n LEU 13 CO 0.44 -0.10 1.54 0.59 -1.33 0.00 0.00 177.39 178.52 3fml n ASN 14 N -1.30 5.90 -2.26 -1.43 5.03 -1.26 -4.56 115.26 115.37 3fml n ASN 14 Ca 0.00 -2.85 -0.11 0.00 0.87 0.00 0.00 54.58 52.49 3fml n ASN 14 Cb 0.00 -1.29 -0.01 0.00 -1.02 0.00 0.00 39.78 37.46 3fml n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3fml n LYS 15 N 1.54 -2.15 -5.00 3.52 4.76 -1.26 -4.96 118.16 114.62 3fml n LYS 15 Ca 0.42 0.53 -0.28 0.00 -2.87 0.00 0.00 58.31 56.11 3fml n LYS 15 Cb 0.70 -5.05 -0.16 0.00 -1.84 0.00 0.00 35.03 28.68 3fml n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3fml s THR 16 N -2.42 1.67 -0.53 -0.18 2.01 -1.26 -5.10 115.64 109.83 3fml s THR 16 Ca 0.00 -0.84 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 3fml s THR 16 Cb 0.00 -1.43 0.04 0.00 0.01 0.00 0.00 72.50 71.12 3fml s THR 16 CO 0.00 0.47 0.93 -0.63 -0.69 0.00 0.00 174.62 174.71 3fml s ILE 17 N 0.03 4.41 -0.18 1.82 1.01 -1.26 -1.05 121.20 125.97 3fml s ILE 17 Ca -0.06 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 3fml s ILE 17 Cb -0.13 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 3fml s ILE 17 CO 0.03 -1.04 0.48 0.26 0.00 0.00 0.00 174.94 174.67 3fml s TRP 18 N 3.89 3.40 -0.28 3.97 0.52 0.16 -4.90 118.94 125.70 3fml s TRP 18 Ca 0.32 0.76 0.03 0.00 0.02 0.00 0.00 56.10 57.22 3fml s TRP 18 Cb -0.12 -2.61 0.07 0.00 -1.15 0.00 0.00 33.47 29.66 3fml s TRP 18 CO 0.21 -0.03 -0.05 -2.00 0.02 0.00 0.00 176.95 175.10 3fml s GLU 19 N 1.37 1.91 0.12 4.98 2.12 -1.26 -0.83 118.70 127.10 3fml s GLU 19 Ca 0.23 -1.43 0.05 0.00 0.36 0.00 0.00 54.97 54.18 3fml s GLU 19 Cb -0.15 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 3fml s GLU 19 CO 0.09 -0.68 -0.11 0.14 -0.54 0.00 0.00 175.26 174.15 3fml s VAL 20 N 1.10 1.14 0.55 3.70 -7.23 -1.00 -4.62 120.40 114.04 3fml s VAL 20 Ca -0.03 -1.79 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 3fml s VAL 20 Cb -0.19 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 3fml s VAL 20 CO -0.07 -0.57 1.20 -2.65 -0.31 0.00 0.00 175.10 172.71 3fml n PRO 21 N 0.33 1.39 -0.12 4.82 -0.02 -1.26 -0.88 135.00 139.25 3fml n PRO 21 Ca -0.14 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 3fml n PRO 21 Cb 0.58 -2.39 0.61 0.00 -0.02 0.00 0.00 33.50 32.29 3fml n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3fml h GLU 22 N 1.13 0.19 -0.89 -0.52 5.08 -1.61 -2.02 114.58 115.94 3fml h GLU 22 Ca -0.49 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.08 3fml h GLU 22 Cb 1.33 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 3fml h GLU 22 CO 0.55 0.13 0.60 0.07 -1.00 0.00 0.00 179.01 179.36 3fml h ARG 23 N 0.20 0.26 -5.62 2.33 0.11 -1.90 -3.38 114.38 106.37 3fml h ARG 23 Ca 0.36 -0.02 -0.61 0.00 0.10 0.00 0.00 59.98 59.81 3fml h ARG 23 Cb 1.11 -0.06 -0.11 0.00 1.11 0.00 0.00 29.97 32.02 3fml h ARG 23 CO -0.07 0.17 0.27 0.71 0.10 0.00 0.00 179.97 181.15 3fml s TYR 24 N -5.28 3.23 0.27 4.08 1.51 -0.76 -0.95 117.35 119.44 3fml s TYR 24 Ca -0.07 0.74 0.05 0.00 -1.01 0.00 0.00 57.07 56.78 3fml s TYR 24 Cb 0.22 -3.06 -0.06 0.00 -0.11 0.00 0.00 41.96 38.96 3fml s TYR 24 CO 0.78 -0.48 -0.03 -0.65 -1.11 0.00 0.00 175.55 174.05 3fml s GLN 25 N 2.74 1.48 -1.30 -0.62 -1.52 -0.21 -4.86 119.66 115.38 3fml s GLN 25 Ca 0.29 -1.76 -0.02 0.00 -1.95 0.00 0.00 55.36 51.92 3fml s GLN 25 Cb -0.15 -0.96 0.01 0.00 -0.22 0.00 0.00 33.01 31.69 3fml s GLN 25 CO 0.11 -0.02 0.87 0.09 -0.25 0.00 0.00 175.29 176.10 3fml n ASN 26 N -0.53 -2.28 -4.72 5.90 3.02 -1.26 -0.10 115.26 115.29 3fml n ASN 26 Ca -0.05 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 3fml n ASN 26 Cb 0.64 -4.49 -0.03 0.00 -0.61 0.00 0.00 39.78 35.29 3fml n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fml s LEU 27 N -6.69 4.37 -0.06 3.41 1.02 -1.26 -4.28 118.68 115.19 3fml s LEU 27 Ca 0.12 2.42 -0.03 0.00 0.02 0.00 0.00 54.13 56.66 3fml s LEU 27 Cb -0.06 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.60 3fml s LEU 27 CO 0.78 -0.71 0.12 -0.55 0.02 0.00 0.00 176.35 176.00 3fml s SER 28 N 1.15 0.78 0.20 2.29 0.15 0.65 -4.95 113.70 113.95 3fml s SER 28 Ca 0.66 0.23 -0.33 0.00 0.70 0.00 0.00 55.95 57.21 3fml s SER 28 Cb -0.39 0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 63.89 3fml s SER 28 CO 0.30 -0.23 1.54 -2.65 1.20 0.00 0.00 173.24 173.40 3fml n PRO 29 N 5.16 2.19 0.00 5.44 -0.02 -1.26 -0.18 135.00 146.33 3fml n PRO 29 Ca -0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3fml n PRO 29 Cb 0.50 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3fml n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fml n VAL 30 N 2.91 0.00 -2.07 -1.45 0.24 -1.26 -4.82 118.33 111.87 3fml n VAL 30 Ca 0.15 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.17 3fml n VAL 30 Cb 0.30 -0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 3fml n VAL 30 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fml s SER 37 N -1.60 5.11 -0.05 -1.34 0.15 -1.26 -5.06 113.70 109.66 3fml s SER 37 Ca 0.00 -1.32 0.05 0.00 0.70 0.00 0.00 55.95 55.38 3fml s SER 37 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3fml s SER 37 CO 0.00 -2.91 -0.20 -0.69 1.20 0.00 0.00 173.24 170.63 3fml s VAL 38 N 10.51 1.69 -0.04 4.45 1.01 -1.26 -2.13 120.40 134.63 3fml s VAL 38 Ca 0.69 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.87 3fml s VAL 38 Cb -0.03 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3fml s VAL 38 CO 0.08 0.48 -0.24 0.00 0.00 0.00 0.00 175.10 175.41 3fml s ALA 40 N -0.45 3.18 0.24 0.00 0.00 0.75 0.47 121.76 125.95 3fml s ALA 40 Ca 0.05 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 3fml s ALA 40 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3fml s ALA 40 CO 0.01 0.00 0.51 0.00 0.00 0.00 0.00 175.76 176.28 3fml s ALA 41 N -1.60 -0.45 -0.20 0.00 0.00 0.06 -0.26 121.76 119.31 3fml s ALA 41 Ca 0.53 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 3fml s ALA 41 Cb -0.21 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3fml s ALA 41 CO 0.27 -0.86 -0.05 0.12 0.00 0.00 0.00 175.76 175.23 3fml s PHE 42 N -3.98 2.95 -0.69 0.00 5.36 0.86 -1.07 117.98 121.41 3fml s PHE 42 Ca 0.19 -0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 55.11 3fml s PHE 42 Cb -0.01 -2.06 0.08 0.00 -0.34 0.00 0.00 43.02 40.68 3fml s PHE 42 CO 0.07 -0.45 0.98 0.34 -1.46 0.00 0.00 175.22 174.69 3fml s ASP 43 N 1.24 6.22 0.59 6.13 2.15 -0.22 -1.04 116.67 131.73 3fml s ASP 43 Ca 0.03 -1.11 0.36 0.00 0.43 0.00 0.00 52.55 52.26 3fml s ASP 43 Cb -0.14 -2.42 1.82 0.00 -0.30 0.00 0.00 42.92 41.88 3fml s ASP 43 CO -0.02 -1.40 2.17 0.71 -0.17 0.00 0.00 175.17 176.47 3fml h THR 44 N 5.97 0.21 -0.04 1.71 1.35 -1.35 0.33 112.91 121.09 3fml h THR 44 Ca -0.24 -0.30 -0.22 0.00 -0.55 0.00 0.00 66.41 65.10 3fml h THR 44 Cb 1.07 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3fml h THR 44 CO 1.18 0.04 -0.88 0.11 -0.25 0.00 0.00 175.52 175.71 3fml h LYS 45 N 0.00 0.52 0.00 4.72 1.79 -1.91 -3.35 116.57 118.34 3fml h LYS 45 Ca -0.00 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3fml h LYS 45 Cb 0.24 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3fml h LYS 45 CO 0.00 1.13 -1.18 0.25 -1.08 0.00 0.00 179.45 178.57 3fml n THR 46 N -3.81 0.00 -1.01 -0.16 -2.24 -1.02 -4.99 114.28 101.03 3fml n THR 46 Ca -0.07 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3fml n THR 46 Cb 0.80 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3fml n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fml n GLY 47 N 1.61 0.45 3.87 3.38 0.00 0.11 -5.03 105.19 109.59 3fml n GLY 47 Ca -0.01 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3fml n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fml s LEU 48 N -0.10 4.32 -0.13 0.99 1.43 -1.19 -4.89 118.68 119.11 3fml s LEU 48 Ca 0.00 0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 53.64 3fml s LEU 48 Cb 0.00 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3fml s LEU 48 CO 0.00 0.13 0.88 -0.13 0.23 0.00 0.00 176.35 177.45 3fml s ARG 49 N -2.09 4.36 0.22 1.70 0.52 -1.26 -1.06 118.95 121.33 3fml s ARG 49 Ca 0.36 1.13 0.08 0.00 -0.52 0.00 0.00 55.73 56.78 3fml s ARG 49 Cb -0.14 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.74 3fml s ARG 49 CO 0.19 -0.28 -0.15 0.14 0.02 0.00 0.00 175.30 175.23 3fml s VAL 50 N 1.94 1.82 -0.20 3.52 -7.23 -0.24 -1.24 120.40 118.77 3fml s VAL 50 Ca 0.42 -2.23 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3fml s VAL 50 Cb -0.17 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 3fml s VAL 50 CO 0.15 -0.56 -0.02 0.00 -0.31 0.00 0.00 175.10 174.37 3fml s ALA 51 N -2.92 2.96 -0.21 1.32 0.00 0.36 -0.76 121.76 122.51 3fml s ALA 51 Ca 0.24 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 3fml s ALA 51 Cb -0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3fml s ALA 51 CO 0.08 -0.18 0.02 0.08 0.00 0.00 0.00 175.76 175.75 3fml s VAL 52 N 1.06 4.08 -0.21 0.00 1.01 0.18 -1.97 120.40 124.54 3fml s VAL 52 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3fml s VAL 52 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3fml s VAL 52 CO 0.01 0.41 -0.08 -0.75 0.00 0.00 0.00 175.10 174.69 3fml s LYS 53 N 1.10 3.25 -0.30 2.72 2.20 0.73 -0.20 119.74 129.23 3fml s LYS 53 Ca 0.03 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.78 3fml s LYS 53 Cb -0.14 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3fml s LYS 53 CO 0.02 -0.21 0.45 0.21 -0.36 0.00 0.00 175.35 175.46 3fml s LYS 54 N 1.42 3.84 0.29 4.03 2.20 -0.90 -0.27 119.74 130.35 3fml s LYS 54 Ca 0.05 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 3fml s LYS 54 Cb -0.14 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 3fml s LYS 54 CO -0.06 -0.44 1.28 -0.51 -0.36 0.00 0.00 175.35 175.26 3fml s LEU 55 N 2.22 4.44 -0.18 5.43 1.43 -0.76 -4.55 118.68 126.73 3fml s LEU 55 Ca 0.17 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.71 3fml s LEU 55 Cb -0.16 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3fml s LEU 55 CO 0.11 -0.48 0.25 -0.94 0.23 0.00 0.00 176.35 175.53 3fml s SER 56 N -0.36 6.36 -1.08 2.29 1.04 -1.26 -4.54 113.70 116.15 3fml s SER 56 Ca 0.50 0.42 -0.23 0.00 0.48 0.00 0.00 55.95 57.12 3fml s SER 56 Cb -0.38 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.61 3fml s SER 56 CO 0.48 0.10 0.66 0.54 0.98 0.00 0.00 173.24 176.00 3fml n ARG 57 N 3.67 -0.69 0.27 4.02 1.74 -1.26 -4.84 116.66 119.57 3fml n ARG 57 Ca -0.13 0.31 0.16 0.00 -0.77 0.00 0.00 57.85 57.43 3fml n ARG 57 Cb 0.52 -2.44 0.72 0.00 -1.02 0.00 0.00 32.46 30.24 3fml n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3fml h PRO 58 N -1.82 0.00 -0.34 5.56 0.13 -1.82 -3.23 132.00 130.47 3fml h PRO 58 Ca -0.69 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.17 3fml h PRO 58 Cb 1.40 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.23 3fml h PRO 58 CO 0.47 0.06 -0.85 1.19 -0.23 0.00 0.00 178.00 178.63 3fml n PHE 59 N -3.22 1.18 0.17 1.56 3.01 -1.26 -2.66 117.46 116.24 3fml n PHE 59 Ca -0.00 -1.70 0.04 0.00 1.01 0.00 0.00 57.45 56.80 3fml n PHE 59 Cb 0.29 -0.26 0.19 0.00 -0.01 0.00 0.00 39.48 39.69 3fml n PHE 59 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3fml h GLN 60 N 1.76 0.00 -3.93 -1.08 3.07 -1.91 -3.46 115.11 109.56 3fml h GLN 60 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.65 3fml h GLN 60 Cb 1.40 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.86 3fml h GLN 60 CO 0.31 0.44 -0.24 -1.54 0.09 0.00 0.00 178.83 177.88 3fml s SER 61 N -6.43 0.12 0.09 0.06 1.04 -1.26 -5.02 113.70 102.31 3fml s SER 61 Ca 0.02 -1.12 -0.25 0.00 0.48 0.00 0.00 55.95 55.08 3fml s SER 61 Cb 0.09 0.55 -0.13 0.00 0.10 0.00 0.00 66.02 66.63 3fml s SER 61 CO 0.71 -1.10 1.70 0.40 0.98 0.00 0.00 173.24 175.93 3fml h ILE 62 N 2.31 0.80 -0.41 -1.02 2.04 -1.93 0.14 117.51 119.44 3fml h ILE 62 Ca -0.29 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.64 3fml h ILE 62 Cb 1.25 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3fml h ILE 62 CO 0.40 0.00 0.04 0.40 0.00 0.00 0.00 178.15 178.99 3fml h ILE 63 N -0.21 0.74 -0.39 -0.67 1.08 -1.97 0.13 117.51 116.22 3fml h ILE 63 Ca 0.00 -0.05 -0.10 0.00 -0.39 0.00 0.00 64.86 64.32 3fml h ILE 63 Cb 0.20 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 3fml h ILE 63 CO -0.02 0.03 -0.13 0.45 -0.69 0.00 0.00 178.15 177.79 3fml h HIS 64 N 0.16 0.89 -0.53 1.37 3.86 -1.82 -1.25 115.15 117.84 3fml h HIS 64 Ca 0.20 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3fml h HIS 64 Cb 0.26 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3fml h HIS 64 CO -0.23 0.93 0.29 0.00 0.86 0.00 0.00 177.93 179.78 3fml h ALA 65 N 0.83 0.68 -0.76 2.45 0.00 -0.40 -0.64 119.26 121.42 3fml h ALA 65 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fml h ALA 65 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3fml h ALA 65 CO 0.05 0.20 0.29 -0.22 0.00 0.00 0.00 179.25 179.57 3fml h LYS 66 N 0.71 1.14 -0.74 0.00 3.64 -0.68 -1.79 116.57 118.85 3fml h LYS 66 Ca 0.19 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3fml h LYS 66 Cb 0.05 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3fml h LYS 66 CO -0.03 0.93 0.25 -0.09 -2.27 0.00 0.00 179.45 178.24 3fml h ARG 67 N 1.11 1.12 -0.16 1.90 2.43 -0.82 0.16 114.38 120.11 3fml h ARG 67 Ca 0.25 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3fml h ARG 67 Cb 0.22 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3fml h ARG 67 CO -0.02 0.94 0.08 1.15 -1.51 0.00 0.00 179.97 180.60 3fml h THR 68 N 1.08 1.14 -0.19 0.20 2.02 -0.84 -0.47 112.91 115.85 3fml h THR 68 Ca 0.24 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.05 3fml h THR 68 Cb 0.26 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3fml h THR 68 CO -0.01 0.13 0.03 0.22 0.37 0.00 0.00 175.52 176.25 3fml h TYR 69 N 0.13 0.05 -0.24 3.16 3.20 -1.07 -2.03 116.97 120.16 3fml h TYR 69 Ca 0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3fml h TYR 69 Cb 0.13 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 3fml h TYR 69 CO -0.02 0.01 -0.05 -0.09 -1.64 0.00 0.00 178.16 176.36 3fml h ARG 70 N 0.10 0.01 -0.50 1.82 2.43 -0.45 -0.07 114.38 117.72 3fml h ARG 70 Ca 0.09 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3fml h ARG 70 Cb 0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3fml h ARG 70 CO -0.12 0.01 0.31 1.49 -1.51 0.00 0.00 179.97 180.14 3fml h GLU 71 N 0.01 0.67 -0.28 0.20 4.81 -0.97 -1.35 114.58 117.67 3fml h GLU 71 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3fml h GLU 71 Cb 0.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3fml h GLU 71 CO -0.24 0.48 0.10 1.25 -0.73 0.00 0.00 179.01 179.86 3fml h LEU 72 N 0.67 0.40 -0.19 1.64 5.85 -1.05 -1.18 115.31 121.43 3fml h LEU 72 Ca 0.18 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3fml h LEU 72 Cb -0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fml h LEU 72 CO -0.03 0.48 -0.02 0.03 -0.34 0.00 0.00 178.44 178.55 3fml h ARG 73 N 0.30 0.03 -0.29 1.25 2.47 -0.90 -0.38 114.38 116.85 3fml h ARG 73 Ca 0.09 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3fml h ARG 73 Cb 0.22 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3fml h ARG 73 CO -0.00 0.02 0.15 -0.07 0.56 0.00 0.00 179.97 180.63 3fml h LEU 74 N 0.03 0.23 -0.71 3.04 3.38 -1.15 -2.30 115.31 117.84 3fml h LEU 74 Ca 0.09 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3fml h LEU 74 Cb 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3fml h LEU 74 CO -0.18 0.17 -0.26 -0.07 0.09 0.00 0.00 178.44 178.20 3fml h LEU 75 N 0.32 0.73 -1.26 1.67 3.38 -1.02 -2.76 115.31 116.37 3fml h LEU 75 Ca 0.12 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3fml h LEU 75 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3fml h LEU 75 CO -0.08 0.96 -0.30 0.11 0.09 0.00 0.00 178.44 179.22 3fml h LYS 76 N 0.62 0.12 -0.00 1.13 1.57 -0.92 -3.12 116.57 115.96 3fml h LYS 76 Ca 0.08 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 3fml h LYS 76 Cb 0.76 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3fml h LYS 76 CO 0.06 0.41 -0.91 1.25 -0.57 0.00 0.00 179.45 179.69 3fml h HIS 77 N 0.10 0.49 -2.95 -1.35 2.76 -1.18 -3.45 115.15 109.57 3fml h HIS 77 Ca 0.01 -0.27 -0.56 0.00 -2.20 0.00 0.00 60.37 57.35 3fml h HIS 77 Cb 0.59 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 3fml h HIS 77 CO 0.00 1.08 1.16 -1.64 -1.30 0.00 0.00 177.93 177.24 3fml s MET 78 N -3.26 3.41 -0.55 5.26 -1.94 -1.06 -4.93 119.30 116.22 3fml s MET 78 Ca -0.05 1.04 0.05 0.00 -1.71 0.00 0.00 55.69 55.02 3fml s MET 78 Cb 0.09 -4.12 0.18 0.00 2.01 0.00 0.00 34.83 33.00 3fml s MET 78 CO 0.85 -1.77 0.45 1.63 -0.01 0.00 0.00 175.02 176.17 3fml n LYS 79 N 8.32 1.11 -3.72 2.03 5.02 -1.26 -4.47 118.16 125.19 3fml n LYS 79 Ca 0.19 -3.85 -0.13 0.00 -2.02 0.00 0.00 58.31 52.49 3fml n LYS 79 Cb 0.48 -1.94 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 3fml n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3fml s HIS 80 N -0.89 -0.44 0.30 2.13 2.46 -1.26 -5.06 115.29 112.52 3fml s HIS 80 Ca 0.30 1.03 0.05 0.00 0.47 0.00 0.00 55.06 56.91 3fml s HIS 80 Cb 0.02 0.16 0.69 0.00 -0.13 0.00 0.00 32.58 33.33 3fml s HIS 80 CO -0.17 -0.27 1.78 0.93 -2.47 0.00 0.00 174.74 174.55 3fml h GLU 81 N 5.14 0.75 -0.64 2.88 5.08 -1.97 -2.44 114.58 123.38 3fml h GLU 81 Ca -0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3fml h GLU 81 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3fml h GLU 81 CO 0.26 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.86 3fml n ASN 82 N -4.77 4.20 -4.05 1.42 5.03 -1.26 -4.73 115.26 111.10 3fml n ASN 82 Ca 0.22 -2.41 -0.21 0.00 0.87 0.00 0.00 54.58 53.05 3fml n ASN 82 Cb 0.53 -0.54 -0.15 0.00 -1.02 0.00 0.00 39.78 38.60 3fml n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fml s VAL 83 N -1.85 0.92 0.03 2.41 1.01 -0.92 -0.76 120.40 121.24 3fml s VAL 83 Ca 0.44 -0.47 -0.36 0.00 0.00 0.00 0.00 61.98 61.59 3fml s VAL 83 Cb 0.29 -0.79 -0.15 0.00 0.00 0.00 0.00 36.38 35.73 3fml s VAL 83 CO 0.20 0.27 1.56 0.00 0.00 0.00 0.00 175.10 177.14 3fml n ILE 84 N 3.04 0.13 -3.98 2.22 3.06 -0.47 -4.52 119.36 118.84 3fml n ILE 84 Ca -0.16 -0.02 -0.22 0.00 -2.50 0.00 0.00 62.75 59.84 3fml n ILE 84 Cb 0.55 -1.28 -0.05 0.00 0.54 0.00 0.00 39.64 39.40 3fml n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3fml s GLY 85 N 1.63 1.90 -0.37 4.50 0.00 -1.26 -4.82 107.32 108.90 3fml s GLY 85 Ca 0.86 -1.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 3fml s GLY 85 CO 0.47 -1.69 0.29 -2.27 0.00 0.00 0.00 173.10 169.90 3fml s LEU 86 N -3.91 4.71 0.10 0.66 2.96 -1.25 -4.52 118.68 117.44 3fml s LEU 86 Ca 0.39 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3fml s LEU 86 Cb -0.04 -2.19 -0.20 0.00 0.50 0.00 0.00 46.19 44.27 3fml s LEU 86 CO 0.24 -0.33 1.22 -0.07 -1.32 0.00 0.00 176.35 176.08 3fml h LEU 87 N 8.60 0.46 -7.00 -0.68 3.38 -1.01 -3.43 115.31 115.63 3fml h LEU 87 Ca -0.29 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.25 3fml h LEU 87 Cb 1.14 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 3fml h LEU 87 CO 0.68 1.29 0.34 -0.62 0.09 0.00 0.00 178.44 180.21 3fml s ASP 88 N -7.12 -0.52 -0.07 -0.43 3.68 -1.11 -4.54 116.67 106.57 3fml s ASP 88 Ca -0.05 0.39 -0.03 0.00 2.13 0.00 0.00 52.55 54.99 3fml s ASP 88 Cb 0.08 0.46 0.03 0.00 -1.45 0.00 0.00 42.92 42.05 3fml s ASP 88 CO 0.87 -0.61 0.15 0.54 0.13 0.00 0.00 175.17 176.26 3fml s VAL 89 N -1.94 -0.04 0.11 1.11 0.11 -1.26 -0.79 120.40 117.70 3fml s VAL 89 Ca -0.04 0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 3fml s VAL 89 Cb -0.00 -0.24 -0.00 0.00 -1.53 0.00 0.00 36.38 34.60 3fml s VAL 89 CO 0.01 0.06 0.22 0.72 -3.33 0.00 0.00 175.10 172.78 3fml s PHE 90 N 0.96 0.24 0.02 1.54 -0.12 -0.84 -4.94 117.98 114.84 3fml s PHE 90 Ca -0.07 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.17 3fml s PHE 90 Cb -0.09 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.22 3fml s PHE 90 CO -0.05 -0.60 -0.05 -0.08 -0.05 0.00 0.00 175.22 174.38 3fml s THR 91 N -3.90 0.38 -0.25 -4.49 -1.32 -1.26 -1.46 115.64 103.34 3fml s THR 91 Ca 0.09 -0.60 0.28 0.00 -1.21 0.00 0.00 61.69 60.25 3fml s THR 91 Cb 0.04 -0.40 0.31 0.00 -1.51 0.00 0.00 72.50 70.94 3fml s THR 91 CO -0.07 -0.15 1.82 1.55 -2.21 0.00 0.00 174.62 175.56 3fml h PRO 92 N 5.31 0.00 -6.99 7.08 0.13 -1.83 -3.46 132.00 132.25 3fml h PRO 92 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 3fml h PRO 92 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 3fml h PRO 92 CO 0.46 0.00 0.65 0.00 -0.23 0.00 0.00 178.00 178.87 3fml s ALA 93 N -3.46 3.16 -1.35 -0.56 0.00 -1.26 -4.95 121.76 113.34 3fml s ALA 93 Ca 0.03 1.34 0.21 0.00 0.00 0.00 0.00 51.96 53.54 3fml s ALA 93 Cb 0.09 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 3fml s ALA 93 CO 0.45 -1.08 0.95 0.54 0.00 0.00 0.00 175.76 176.62 3fml n ARG 94 N -0.25 0.59 -3.81 0.00 1.74 -1.26 -4.96 116.66 108.70 3fml n ARG 94 Ca 0.06 -0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 56.68 3fml n ARG 94 Cb 0.43 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3fml n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fml s SER 95 N -2.75 -0.24 0.26 0.55 1.04 -1.26 -5.05 113.70 106.25 3fml s SER 95 Ca 0.12 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 3fml s SER 95 Cb 0.16 0.62 0.44 0.00 0.10 0.00 0.00 66.02 67.35 3fml s SER 95 CO 0.74 -1.14 1.83 0.25 0.98 0.00 0.00 173.24 175.90 3fml h LEU 96 N 2.15 0.83 -1.46 2.42 5.85 -1.95 -1.65 115.31 121.50 3fml h LEU 96 Ca -0.26 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3fml h LEU 96 Cb 1.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3fml h LEU 96 CO 0.33 0.48 0.17 1.05 -0.34 0.00 0.00 178.44 180.13 3fml h GLU 97 N 0.93 0.53 0.00 1.25 9.09 -2.02 -2.00 114.58 122.37 3fml h GLU 97 Ca 0.43 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.78 3fml h GLU 97 Cb 0.36 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3fml h GLU 97 CO -0.23 0.43 -0.50 0.39 0.05 0.00 0.00 179.01 179.14 3fml n GLU 98 N -4.40 0.28 -1.80 1.06 1.02 -0.97 -4.92 120.64 110.91 3fml n GLU 98 Ca 0.02 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3fml n GLU 98 Cb 0.13 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 3fml n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3fml s PHE 99 N -3.15 1.54 0.00 -0.32 5.36 -0.66 -4.75 117.98 115.99 3fml s PHE 99 Ca 0.07 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 3fml s PHE 99 Cb 0.13 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3fml s PHE 99 CO 0.70 -4.70 0.00 -1.71 -1.46 0.00 0.00 175.22 168.05 3fml n ASN 100 N 7.95 0.00 -4.36 6.13 5.15 -1.26 -5.02 115.26 123.85 3fml n ASN 100 Ca 0.20 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.90 3fml n ASN 100 Cb 0.42 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.54 3fml n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3fml s ASP 101 N 0.00 3.10 -0.05 1.20 -0.00 -1.26 -4.65 116.67 115.00 3fml s ASP 101 Ca 0.00 -0.72 0.01 0.00 -0.00 0.00 0.00 52.55 51.85 3fml s ASP 101 Cb 0.00 -0.20 0.02 0.00 -0.00 0.00 0.00 42.92 42.74 3fml s ASP 101 CO 0.00 0.15 -0.06 -0.69 -0.00 0.00 0.00 175.17 174.57 3fml s VAL 102 N -1.06 0.69 -0.08 -1.27 1.01 -1.26 -4.57 120.40 113.86 3fml s VAL 102 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3fml s VAL 102 Cb -0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3fml s VAL 102 CO 0.05 0.26 -0.23 -0.31 0.00 0.00 0.00 175.10 174.87 3fml s TYR 103 N 0.86 2.53 -0.06 5.22 1.51 -0.54 -1.82 117.35 125.05 3fml s TYR 103 Ca -0.12 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.18 3fml s TYR 103 Cb -0.15 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3fml s TYR 103 CO 0.01 -0.27 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.52 3fml s LEU 104 N 0.03 2.65 -0.08 -1.29 1.43 0.62 -1.99 118.68 120.04 3fml s LEU 104 Ca -0.09 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3fml s LEU 104 Cb -0.15 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3fml s LEU 104 CO 0.06 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.09 3fml s VAL 105 N -0.46 1.41 0.29 -1.59 1.01 0.03 -0.19 120.40 120.89 3fml s VAL 105 Ca 0.06 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3fml s VAL 105 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3fml s VAL 105 CO 0.02 0.42 0.30 0.28 0.00 0.00 0.00 175.10 176.12 3fml s THR 106 N 0.69 0.00 0.42 3.92 -1.32 -0.83 -0.29 115.64 118.23 3fml s THR 106 Ca -0.13 -1.87 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 3fml s THR 106 Cb -0.16 -2.51 -0.09 0.00 -1.51 0.00 0.00 72.50 68.22 3fml s THR 106 CO 0.03 0.00 1.45 -1.00 -2.21 0.00 0.00 174.62 172.89 3fml s HIS 107 N -3.57 2.52 -0.56 9.09 3.76 -1.26 -0.49 115.29 124.78 3fml s HIS 107 Ca 0.37 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 56.23 3fml s HIS 107 Cb 0.03 -3.95 0.03 0.00 1.11 0.00 0.00 32.58 29.79 3fml s HIS 107 CO 0.21 -2.93 1.23 -1.17 -0.85 0.00 0.00 174.74 171.23 3fml s LEU 108 N -2.47 3.46 0.22 0.89 2.96 -0.37 -4.22 118.68 119.15 3fml s LEU 108 Ca 0.58 0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 54.47 3fml s LEU 108 Cb -0.45 -3.20 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3fml s LEU 108 CO 0.59 -1.49 0.73 -0.04 -1.32 0.00 0.00 176.35 174.82 3fml s MET 109 N 4.99 4.28 -0.01 1.98 -1.94 -1.26 -4.89 119.30 122.45 3fml s MET 109 Ca 0.45 0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 55.23 3fml s MET 109 Cb -0.08 -2.90 -0.06 0.00 2.01 0.00 0.00 34.83 33.80 3fml s MET 109 CO 0.26 0.40 0.67 0.78 -0.01 0.00 0.00 175.02 177.12 3fml h GLY 110 N 3.47 -0.38 -2.92 -0.03 0.00 -1.96 -3.49 103.07 97.77 3fml h GLY 110 Ca -0.48 0.14 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 3fml h GLY 110 CO 0.65 -0.14 -0.65 0.00 0.00 0.00 0.00 176.54 176.40 3fml s ALA 111 N -3.68 0.84 0.60 3.60 0.00 -1.12 -5.02 121.76 116.98 3fml s ALA 111 Ca -0.05 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.50 3fml s ALA 111 Cb 0.01 0.81 0.08 0.00 0.00 0.00 0.00 23.12 24.02 3fml s ALA 111 CO 0.16 -0.47 0.82 0.16 0.00 0.00 0.00 175.76 176.43 3fml s ASP 112 N -3.04 4.96 0.39 0.00 3.84 -1.26 -0.33 116.67 121.23 3fml s ASP 112 Ca 0.23 -0.49 0.10 0.00 -0.00 0.00 0.00 52.55 52.39 3fml s ASP 112 Cb 0.07 -0.13 0.81 0.00 -1.38 0.00 0.00 42.92 42.29 3fml s ASP 112 CO 0.01 -1.40 1.92 0.25 -0.00 0.00 0.00 175.17 175.95 3fml h LEU 113 N -0.01 0.19 -0.21 2.11 5.85 -0.36 -2.82 115.31 120.05 3fml h LEU 113 Ca -0.35 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3fml h LEU 113 Cb 1.28 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3fml h LEU 113 CO 0.43 0.35 -0.01 0.78 -0.34 0.00 0.00 178.44 179.66 3fml h ASN 114 N 0.19 -0.10 -0.13 1.25 -0.26 -1.87 -1.19 115.58 113.47 3fml h ASN 114 Ca 0.04 0.05 0.04 0.00 -0.56 0.00 0.00 56.30 55.87 3fml h ASN 114 Cb 0.38 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3fml h ASN 114 CO 0.02 -0.02 0.24 0.78 -1.06 0.00 0.00 177.43 177.39 3fml h ASN 115 N 0.06 0.00 0.05 5.81 -0.26 -1.88 0.14 115.58 119.50 3fml h ASN 115 Ca 0.10 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.53 3fml h ASN 115 Cb 0.13 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 3fml h ASN 115 CO -0.18 0.00 -1.73 -0.38 -1.06 0.00 0.00 177.43 174.09 3fml n ILE 116 N -3.42 1.63 0.18 2.81 5.41 -0.94 -4.44 119.36 120.58 3fml n ILE 116 Ca 0.01 -0.33 -0.14 0.00 1.00 0.00 0.00 62.75 63.29 3fml n ILE 116 Cb 0.34 -1.88 -0.08 0.00 -0.71 0.00 0.00 39.64 37.31 3fml n ILE 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3fml h VAL 117 N -0.55 0.69 -6.85 1.39 2.07 -0.77 -3.47 116.25 108.77 3fml h VAL 117 Ca -0.42 -0.41 -0.48 0.00 0.82 0.00 0.00 66.70 66.21 3fml h VAL 117 Cb 1.64 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3fml h VAL 117 CO -0.11 0.08 -0.88 2.29 0.02 0.00 0.00 177.57 178.97 3fml n LYS 118 N -5.18 -0.67 -1.26 1.57 2.85 0.45 -0.29 118.16 115.63 3fml n LYS 118 Ca -0.10 0.19 -0.10 0.00 -1.05 0.00 0.00 58.31 57.25 3fml n LYS 118 Cb 0.25 -1.86 -0.04 0.00 -0.65 0.00 0.00 35.03 32.73 3fml n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fml s GLN 120 N -2.77 1.29 0.15 0.00 -2.07 0.61 -4.86 119.66 112.00 3fml s GLN 120 Ca 0.00 -1.35 -0.30 0.00 -1.82 0.00 0.00 55.36 51.89 3fml s GLN 120 Cb 0.00 -1.51 -0.07 0.00 -1.09 0.00 0.00 33.01 30.34 3fml s GLN 120 CO 0.00 0.33 1.14 0.15 -1.32 0.00 0.00 175.29 175.59 3fml s LYS 121 N -2.42 4.53 0.27 9.60 1.02 -1.26 -3.95 119.74 127.52 3fml s LYS 121 Ca 0.14 1.76 -0.01 0.00 0.02 0.00 0.00 55.97 57.88 3fml s LYS 121 Cb -0.08 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3fml s LYS 121 CO 0.06 -0.04 0.47 -0.51 -0.92 0.00 0.00 175.35 174.41 3fml s LEU 122 N 0.01 4.14 0.65 3.17 1.02 -1.00 -4.99 118.68 121.67 3fml s LEU 122 Ca 0.52 0.45 -0.17 0.00 0.02 0.00 0.00 54.13 54.96 3fml s LEU 122 Cb -0.30 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.65 3fml s LEU 122 CO 0.34 -0.15 1.18 0.42 0.02 0.00 0.00 176.35 178.15 3fml s THR 123 N -2.05 2.73 0.38 5.49 -4.23 -1.26 -4.83 115.64 111.87 3fml s THR 123 Ca 0.40 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 61.37 3fml s THR 123 Cb -0.10 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.02 3fml s THR 123 CO 0.31 -0.16 1.97 -0.78 -0.54 0.00 0.00 174.62 175.43 3fml h ASP 124 N 0.32 0.59 -0.48 3.99 3.58 -1.98 -1.34 116.42 121.10 3fml h ASP 124 Ca -0.49 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.87 3fml h ASP 124 Cb 1.28 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 3fml h ASP 124 CO 0.53 0.38 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.45 3fml h ASP 125 N 0.67 0.92 -0.40 2.28 3.58 -1.99 -0.52 116.42 120.95 3fml h ASP 125 Ca 0.29 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3fml h ASP 125 Cb 0.27 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3fml h ASP 125 CO -0.09 1.00 0.18 0.45 -2.88 0.00 0.00 179.24 177.90 3fml h HIS 126 N 0.85 0.59 -0.11 0.28 3.86 -1.65 -2.21 115.15 116.76 3fml h HIS 126 Ca 0.15 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3fml h HIS 126 Cb 0.56 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3fml h HIS 126 CO 0.03 0.50 0.06 0.28 0.86 0.00 0.00 177.93 179.67 3fml h VAL 127 N 0.50 1.07 -0.28 2.45 2.07 -1.03 -0.74 116.25 120.30 3fml h VAL 127 Ca 0.14 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3fml h VAL 127 Cb 0.15 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3fml h VAL 127 CO -0.01 0.06 -0.42 1.56 0.02 0.00 0.00 177.57 178.78 3fml h GLN 128 N 0.10 -0.38 -0.54 1.57 4.20 -1.05 -0.45 115.11 118.57 3fml h GLN 128 Ca 0.04 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3fml h GLN 128 Cb 0.05 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3fml h GLN 128 CO -0.01 -0.25 0.24 0.35 -0.67 0.00 0.00 178.83 178.49 3fml h PHE 129 N -0.39 0.79 -0.02 2.96 3.57 -1.15 0.06 116.94 122.75 3fml h PHE 129 Ca 0.11 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fml h PHE 129 Cb 0.60 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3fml h PHE 129 CO -0.56 0.63 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.08 3fml h LEU 130 N 0.72 0.03 -0.78 0.59 3.38 -0.91 -2.57 115.31 115.76 3fml h LEU 130 Ca 0.18 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3fml h LEU 130 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fml h LEU 130 CO -0.02 0.35 0.05 0.40 0.09 0.00 0.00 178.44 179.30 3fml h ILE 131 N -0.28 1.26 -0.53 1.22 1.08 -1.05 -2.55 117.51 116.66 3fml h ILE 131 Ca 0.00 -1.04 0.10 0.00 -0.39 0.00 0.00 64.86 63.53 3fml h ILE 131 Cb 0.33 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 3fml h ILE 131 CO 0.00 0.38 0.08 0.22 -0.69 0.00 0.00 178.15 178.14 3fml h TYR 132 N 0.90 0.12 -0.52 1.37 3.20 -0.92 -0.44 116.97 120.68 3fml h TYR 132 Ca 0.17 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 3fml h TYR 132 Cb 0.46 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3fml h TYR 132 CO 0.03 -0.04 -0.04 1.96 -1.64 0.00 0.00 178.16 178.42 3fml h GLN 133 N 0.21 0.95 -0.18 1.82 4.20 -1.24 0.27 115.11 121.13 3fml h GLN 133 Ca 0.27 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3fml h GLN 133 Cb 0.39 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3fml h GLN 133 CO -0.38 0.99 0.10 0.82 -0.67 0.00 0.00 178.83 179.68 3fml h ILE 134 N 0.81 1.01 -0.52 2.54 2.04 -1.01 -0.70 117.51 121.68 3fml h ILE 134 Ca 0.14 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3fml h ILE 134 Cb 0.59 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3fml h ILE 134 CO 0.04 0.04 0.16 -0.07 0.00 0.00 0.00 178.15 178.31 3fml h LEU 135 N 0.20 0.72 -0.31 1.44 3.38 -0.92 0.13 115.31 119.96 3fml h LEU 135 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fml h LEU 135 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fml h LEU 135 CO -0.04 0.69 0.15 -0.09 0.09 0.00 0.00 178.44 179.24 3fml h ARG 136 N 0.76 0.45 -0.39 1.13 2.43 -0.58 0.12 114.38 118.30 3fml h ARG 136 Ca 0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3fml h ARG 136 Cb 0.23 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3fml h ARG 136 CO -0.01 0.41 0.15 0.78 -1.51 0.00 0.00 179.97 179.79 3fml h GLY 137 N 0.37 0.63 1.01 2.80 0.00 -0.78 -2.87 103.07 104.23 3fml h GLY 137 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3fml h GLY 137 CO -0.01 0.33 0.25 1.41 0.00 0.00 0.00 176.54 178.52 3fml h LEU 138 N 0.48 0.89 -0.60 3.11 3.38 -0.55 0.44 115.31 122.46 3fml h LEU 138 Ca 0.13 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.02 3fml h LEU 138 Cb 0.20 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3fml h LEU 138 CO -0.01 0.82 0.21 0.50 0.09 0.00 0.00 178.44 180.05 3fml h LYS 139 N 0.91 0.37 0.58 1.13 3.64 -0.72 0.42 116.57 122.90 3fml h LYS 139 Ca 0.21 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3fml h LYS 139 Cb 0.21 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3fml h LYS 139 CO -0.02 0.24 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.21 3fml h TYR 140 N 0.38 -0.73 -0.33 1.91 3.20 -1.21 -1.02 116.97 119.18 3fml h TYR 140 Ca 0.31 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3fml h TYR 140 Cb 0.39 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3fml h TYR 140 CO -0.18 -0.45 0.10 0.82 -1.64 0.00 0.00 178.16 176.81 3fml h ILE 141 N -0.79 0.90 -0.11 1.81 2.04 -0.43 -2.52 117.51 118.41 3fml h ILE 141 Ca -0.08 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3fml h ILE 141 Cb 0.60 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3fml h ILE 141 CO 0.13 0.04 -0.25 0.45 0.00 0.00 0.00 178.15 178.53 3fml h HIS 142 N 0.24 0.21 0.00 1.37 3.86 -0.16 -2.46 115.15 118.21 3fml h HIS 142 Ca 0.15 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3fml h HIS 142 Cb 0.13 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3fml h HIS 142 CO -0.15 0.44 0.00 0.66 0.86 0.00 0.00 177.93 179.74 3fml h SER 143 N 0.18 0.00 -0.58 2.45 4.64 -0.73 0.91 113.55 120.42 3fml h SER 143 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3fml h SER 143 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3fml h SER 143 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3fml n ALA 144 N -2.07 3.40 -3.82 5.18 0.00 -0.98 -4.72 120.51 117.51 3fml n ALA 144 Ca -0.01 -1.62 -0.29 0.00 0.00 0.00 0.00 53.44 51.52 3fml n ALA 144 Cb 0.21 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.62 3fml n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fml n ASP 145 N 0.85 -5.09 -4.49 0.00 10.43 0.31 -4.40 116.55 114.16 3fml n ASP 145 Ca 0.25 -0.71 -0.34 0.00 2.57 0.00 0.00 54.79 56.57 3fml n ASP 145 Cb 0.98 -4.06 -0.12 0.00 1.84 0.00 0.00 41.12 39.76 3fml n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fml s ILE 146 N -3.28 3.63 -0.13 0.53 1.01 -0.97 -5.03 121.20 116.96 3fml s ILE 146 Ca 0.64 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3fml s ILE 146 Cb -0.31 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3fml s ILE 146 CO 0.79 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 175.57 3fml s ILE 147 N 0.03 3.76 0.01 2.92 1.01 -1.26 -3.67 121.20 124.00 3fml s ILE 147 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 3fml s ILE 147 Cb -0.14 -2.62 -0.18 0.00 0.01 0.00 0.00 42.46 39.53 3fml s ILE 147 CO 0.03 0.52 1.39 -0.74 0.00 0.00 0.00 174.94 176.14 3fml h HIS 148 N 6.40 0.06 0.00 3.97 -0.00 -1.95 -3.47 115.15 120.16 3fml h HIS 148 Ca -0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3fml h HIS 148 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3fml h HIS 148 CO 0.54 0.41 0.00 0.54 -0.00 0.00 0.00 177.93 179.42 3fml n ARG 149 N -4.87 0.00 -2.77 5.26 1.74 -1.26 -4.64 116.66 110.11 3fml n ARG 149 Ca -0.08 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3fml n ARG 149 Cb 0.21 -1.08 0.06 0.00 -1.02 0.00 0.00 32.46 30.63 3fml n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fml n ASP 150 N 0.00 0.99 -4.70 0.55 2.03 -1.26 -5.00 116.55 109.16 3fml n ASP 150 Ca 0.00 -2.06 -0.42 0.00 0.52 0.00 0.00 54.79 52.83 3fml n ASP 150 Cb 0.00 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 3fml n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fml s LEU 151 N -3.77 4.35 0.18 -2.67 1.43 -1.26 -4.91 118.68 112.02 3fml s LEU 151 Ca 0.24 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.57 3fml s LEU 151 Cb 0.34 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 43.02 3fml s LEU 151 CO -0.06 -0.80 0.45 -1.59 0.23 0.00 0.00 176.35 174.58 3fml s LYS 152 N 2.15 1.28 0.40 1.70 -2.85 -1.26 -4.81 119.74 116.35 3fml s LYS 152 Ca 0.69 -0.90 0.18 0.00 -1.00 0.00 0.00 55.97 54.94 3fml s LYS 152 Cb -0.38 0.48 1.09 0.00 -2.06 0.00 0.00 37.83 36.96 3fml s LYS 152 CO 0.30 -0.52 1.78 -1.35 0.10 0.00 0.00 175.35 175.66 3fml h PRO 153 N 2.30 0.40 0.00 1.78 0.11 -1.94 -0.89 132.00 133.76 3fml h PRO 153 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3fml h PRO 153 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fml h PRO 153 CO 0.41 0.26 0.00 0.66 -0.21 0.00 0.00 178.00 179.13 3fml h SER 154 N 0.41 0.00 -0.69 -2.05 4.64 -1.95 -2.32 113.55 111.59 3fml h SER 154 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3fml h SER 154 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3fml h SER 154 CO -0.28 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.27 3fml n ASN 155 N -2.46 4.12 -4.06 4.97 3.02 -0.34 -4.80 115.26 115.70 3fml n ASN 155 Ca 0.02 -2.15 -0.32 0.00 -0.03 0.00 0.00 54.58 52.10 3fml n ASN 155 Cb 0.25 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 3fml n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fml s LEU 156 N -1.27 3.74 -0.05 3.41 1.43 -0.94 0.12 118.68 125.12 3fml s LEU 156 Ca 0.49 -1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 51.94 3fml s LEU 156 Cb 0.27 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 3fml s LEU 156 CO 0.30 -0.23 0.27 0.00 0.23 0.00 0.00 176.35 176.91 3fml s ALA 157 N 1.06 3.80 0.04 4.21 0.00 -0.32 -0.65 121.76 129.91 3fml s ALA 157 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3fml s ALA 157 Cb -0.20 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 3fml s ALA 157 CO -0.05 0.57 -0.09 0.08 0.00 0.00 0.00 175.76 176.27 3fml s VAL 158 N -1.10 0.62 0.47 0.00 1.01 0.56 -0.35 120.40 121.60 3fml s VAL 158 Ca 0.21 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3fml s VAL 158 Cb -0.14 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.66 3fml s VAL 158 CO 0.10 -0.27 0.52 -0.46 0.00 0.00 0.00 175.10 174.99 3fml n ASN 159 N 1.68 2.06 -0.28 3.32 0.23 -0.59 -2.79 115.26 118.89 3fml n ASN 159 Ca -0.21 -2.41 0.16 0.00 -0.53 0.00 0.00 54.58 51.59 3fml n ASN 159 Cb 0.55 -0.21 0.43 0.00 -2.08 0.00 0.00 39.78 38.47 3fml n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fml h GLU 160 N 0.00 0.55 -0.24 -3.83 3.07 -2.00 0.51 114.58 112.64 3fml h GLU 160 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3fml h GLU 160 Cb 1.05 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3fml h GLU 160 CO 0.38 0.36 0.00 -0.25 -1.40 0.00 0.00 179.01 178.10 3fml n ASP 161 N -4.58 1.11 -0.76 1.42 9.92 -1.26 -4.88 116.55 117.52 3fml n ASP 161 Ca 0.20 -2.01 -0.10 0.00 -0.53 0.00 0.00 54.79 52.34 3fml n ASP 161 Cb 0.61 -0.15 -0.04 0.00 -0.64 0.00 0.00 41.12 40.89 3fml n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fml s GLU 163 N -2.65 4.44 -0.00 0.00 2.02 -1.26 -4.80 118.70 116.45 3fml s GLU 163 Ca 0.00 1.80 0.07 0.00 0.02 0.00 0.00 54.97 56.86 3fml s GLU 163 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3fml s GLU 163 CO 0.00 -0.23 -0.20 -1.17 0.02 0.00 0.00 175.26 173.68 3fml s LEU 164 N 0.79 2.43 -0.02 1.80 0.20 -1.26 -1.55 118.68 121.08 3fml s LEU 164 Ca 0.58 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 55.04 3fml s LEU 164 Cb -0.30 -1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 44.00 3fml s LEU 164 CO 0.31 0.30 -0.12 -0.54 -0.29 0.00 0.00 176.35 176.00 3fml s LYS 165 N -0.99 1.15 -0.07 1.98 1.02 0.52 -4.31 119.74 119.05 3fml s LYS 165 Ca 0.12 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 3fml s LYS 165 Cb -0.10 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.11 3fml s LYS 165 CO 0.02 0.20 0.85 0.42 -0.92 0.00 0.00 175.35 175.92 3fml s ILE 166 N -0.03 4.93 0.41 2.17 1.01 0.06 -1.18 121.20 128.57 3fml s ILE 166 Ca -0.00 1.74 0.07 0.00 0.00 0.00 0.00 60.65 62.46 3fml s ILE 166 Cb -0.08 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3fml s ILE 166 CO 0.00 0.15 0.19 -0.76 0.00 0.00 0.00 174.94 174.53 3fml s LEU 167 N 1.26 3.13 0.00 2.97 1.43 0.12 -1.36 118.68 126.23 3fml s LEU 167 Ca 0.43 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3fml s LEU 167 Cb -0.19 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.56 3fml s LEU 167 CO 0.20 -0.55 0.00 0.47 0.23 0.00 0.00 176.35 176.70 3fml n ASP 168 N -1.25 0.00 0.00 2.29 9.92 -1.26 -4.84 116.55 121.40 3fml n ASP 168 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 3fml n ASP 168 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 3fml n ASP 168 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3fml n PHE 169 N 0.00 0.00 0.00 1.24 3.01 -1.26 -5.07 117.46 115.38 3fml n PHE 169 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3fml n PHE 169 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3fml n PHE 169 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3fml n LEU 171 N 0.00 0.00 0.00 4.37 0.00 -1.26 -4.83 117.00 115.28 3fml n LEU 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3fml n LEU 171 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3fml n LEU 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.39 3fml n ALA 172 N 1.89 0.00 -1.47 1.96 0.00 -1.26 -4.87 120.51 116.76 3fml n ALA 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fml n ALA 172 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fml n ALA 172 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3fml n ARG 173 N 0.00 -3.21 -2.59 0.00 -4.01 -1.26 -4.92 116.66 100.67 3fml n ARG 173 Ca 0.00 2.44 -0.38 0.00 -1.04 0.00 0.00 57.85 58.87 3fml n ARG 173 Cb 0.00 -3.04 -0.05 0.00 -3.04 0.00 0.00 32.46 26.34 3fml n ARG 173 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 3fml s HIS 174 N -4.18 3.48 0.85 2.89 3.76 -1.26 -5.05 115.29 115.78 3fml s HIS 174 Ca 0.00 1.70 -0.12 0.00 -0.15 0.00 0.00 55.06 56.50 3fml s HIS 174 Cb 0.00 -3.11 0.10 0.00 1.11 0.00 0.00 32.58 30.68 3fml s HIS 174 CO 0.00 -0.36 1.11 0.95 -0.85 0.00 0.00 174.74 175.58 3fml s THR 175 N -1.50 2.67 0.26 1.30 -4.23 -1.26 -4.93 115.64 107.95 3fml s THR 175 Ca 0.52 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 61.20 3fml s THR 175 Cb -0.24 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 70.94 3fml s THR 175 CO 0.30 -0.28 1.92 0.44 -0.54 0.00 0.00 174.62 176.46 3fml h ASP 176 N -1.30 1.13 -0.58 3.99 3.45 -1.98 -2.78 116.42 118.35 3fml h ASP 176 Ca -0.49 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 56.98 3fml h ASP 176 Cb 1.29 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 39.75 3fml h ASP 176 CO 0.59 0.80 0.35 -0.78 -1.57 0.00 0.00 179.24 178.63 3fml h ASP 177 N 1.32 0.56 0.29 6.45 1.82 -1.97 -2.54 116.42 122.36 3fml h ASP 177 Ca 0.38 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 3fml h ASP 177 Cb -0.09 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.81 3fml h ASP 177 CO -0.10 0.39 -0.06 -1.84 -1.61 0.00 0.00 179.24 176.02 3fml n GLU 178 N -4.76 0.79 -0.07 0.28 0.28 -1.07 -2.46 120.64 113.64 3fml n GLU 178 Ca 0.05 -0.21 0.12 0.00 -0.16 0.00 0.00 57.16 56.96 3fml n GLU 178 Cb 0.09 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.65 3fml n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fml n MET 179 N -0.92 2.31 -3.30 3.44 2.81 -0.98 -4.70 117.12 115.78 3fml n MET 179 Ca 0.17 -1.93 -0.38 0.00 -1.81 0.00 0.00 57.70 53.74 3fml n MET 179 Cb 0.24 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 3fml n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fml s THR 180 N -1.82 4.93 0.00 2.03 2.01 -1.03 -4.78 115.64 116.98 3fml s THR 180 Ca 0.33 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.43 3fml s THR 180 Cb 0.21 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3fml s THR 180 CO 0.31 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 3fml n GLY 181 N 2.26 -0.81 3.43 4.40 0.00 -1.25 -4.58 105.19 108.65 3fml n GLY 181 Ca -0.09 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3fml n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fml n TYR 182 N 0.00 4.62 -4.13 1.61 9.36 -1.02 -3.73 117.16 123.88 3fml n TYR 182 Ca 0.00 -3.07 -0.18 0.00 3.32 0.00 0.00 57.90 57.97 3fml n TYR 182 Cb 0.00 -2.39 -0.15 0.00 -0.63 0.00 0.00 39.34 36.16 3fml n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3fml s VAL 183 N 2.75 0.42 -0.51 2.97 -7.23 -1.26 -5.01 120.40 112.52 3fml s VAL 183 Ca 0.48 -0.13 0.16 0.00 -1.81 0.00 0.00 61.98 60.67 3fml s VAL 183 Cb 0.02 -0.42 0.16 0.00 0.56 0.00 0.00 36.38 36.70 3fml s VAL 183 CO 0.03 0.16 1.48 0.00 -0.31 0.00 0.00 175.10 176.47 3fml n ALA 184 N 3.57 1.18 0.30 1.32 0.00 -1.26 -1.82 120.51 123.80 3fml n ALA 184 Ca -0.20 0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.52 3fml n ALA 184 Cb 0.54 -1.24 0.73 0.00 0.00 0.00 0.00 19.45 19.48 3fml n ALA 184 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fml h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.95 -3.26 112.91 109.05 3fml h THR 185 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3fml h THR 185 Cb 0.08 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3fml h THR 185 CO 0.00 0.00 -0.87 -1.14 -0.25 0.00 0.00 175.52 173.26 3fml n ARG 186 N -2.92 1.84 0.27 4.72 0.63 -0.76 -4.77 116.66 115.68 3fml n ARG 186 Ca 0.00 -0.02 0.14 0.00 -0.92 0.00 0.00 57.85 57.05 3fml n ARG 186 Cb 0.25 -0.96 0.78 0.00 0.45 0.00 0.00 32.46 32.98 3fml n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fml h TRP 187 N 0.00 0.00 -0.53 -0.14 6.55 -1.58 -2.36 115.95 117.89 3fml h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fml h TRP 187 Cb 0.15 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3fml h TRP 187 CO 0.00 0.09 0.00 0.66 -1.05 0.00 0.00 178.44 178.14 3fml n TYR 188 N -3.65 0.70 -3.11 0.49 4.02 -1.26 -4.53 117.16 109.81 3fml n TYR 188 Ca -0.02 -0.45 -0.39 0.00 -0.01 0.00 0.00 57.90 57.03 3fml n TYR 188 Cb 0.20 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 3fml n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fml s ARG 189 N -1.06 4.39 0.49 -0.72 1.81 -0.89 -3.83 118.95 119.14 3fml s ARG 189 Ca 0.37 0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 55.06 3fml s ARG 189 Cb 0.20 -3.32 -0.06 0.00 -0.45 0.00 0.00 34.95 31.32 3fml s ARG 189 CO 0.26 0.42 1.30 0.00 -0.68 0.00 0.00 175.30 176.60 3fml s ALA 190 N -0.47 2.97 0.34 2.13 0.00 -1.26 -4.82 121.76 120.65 3fml s ALA 190 Ca 0.34 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3fml s ALA 190 Cb -0.20 -3.50 0.60 0.00 0.00 0.00 0.00 23.12 20.02 3fml s ALA 190 CO 0.21 -1.06 1.99 -1.00 0.00 0.00 0.00 175.76 175.90 3fml h PRO 191 N 1.90 0.86 0.00 0.00 0.13 -1.96 -1.34 132.00 131.59 3fml h PRO 191 Ca -0.50 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 3fml h PRO 191 Cb 1.27 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3fml h PRO 191 CO 0.59 0.58 -0.17 1.05 -0.23 0.00 0.00 178.00 179.83 3fml h GLU 192 N 0.88 0.00 0.02 0.86 9.09 -1.91 -2.05 114.58 121.47 3fml h GLU 192 Ca 0.23 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.34 3fml h GLU 192 Cb -0.07 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 26.98 3fml h GLU 192 CO -0.05 0.17 -1.81 1.51 0.05 0.00 0.00 179.01 178.89 3fml n ILE 193 N -4.28 1.62 0.06 -1.06 3.06 -0.98 -0.19 119.36 117.60 3fml n ILE 193 Ca -0.02 -0.78 0.00 0.00 -2.50 0.00 0.00 62.75 59.45 3fml n ILE 193 Cb 0.24 -1.10 0.31 0.00 0.54 0.00 0.00 39.64 39.63 3fml n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3fml h MET 194 N 0.01 0.36 -0.05 9.51 4.05 -0.93 -3.05 114.93 124.83 3fml h MET 194 Ca -0.33 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3fml h MET 194 Cb 2.03 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.79 3fml h MET 194 CO 0.08 0.51 0.00 1.28 0.23 0.00 0.00 176.91 179.00 3fml n LEU 195 N -4.22 2.42 -4.08 3.39 4.77 -0.80 -5.01 117.00 113.46 3fml n LEU 195 Ca -0.00 -2.62 -0.32 0.00 -0.03 0.00 0.00 56.01 53.04 3fml n LEU 195 Cb 0.31 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3fml n LEU 195 CO 0.39 0.63 -0.29 0.59 -1.33 0.00 0.00 177.39 177.38 3fml n ASN 196 N -0.87 -1.18 0.06 -1.43 5.03 -0.92 -4.87 115.26 111.09 3fml n ASN 196 Ca 0.11 -1.17 -0.02 0.00 0.87 0.00 0.00 54.58 54.37 3fml n ASN 196 Cb 0.51 -2.27 0.24 0.00 -1.02 0.00 0.00 39.78 37.24 3fml n ASN 196 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3fml h TRP 197 N -1.99 0.39 -2.36 3.10 6.55 -0.84 -3.44 115.95 117.35 3fml h TRP 197 Ca -0.66 -0.08 0.18 0.00 0.95 0.00 0.00 58.89 59.27 3fml h TRP 197 Cb 1.39 -0.09 -0.06 0.00 -0.86 0.00 0.00 29.16 29.53 3fml h TRP 197 CO 0.46 0.61 0.54 0.00 -1.05 0.00 0.00 178.44 179.00 3fml s MET 198 N -4.39 1.21 -0.20 0.49 0.23 -1.25 -2.00 119.30 113.38 3fml s MET 198 Ca -0.06 -0.71 -0.29 0.00 -1.03 0.00 0.00 55.69 53.60 3fml s MET 198 Cb 0.14 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.78 3fml s MET 198 CO 0.77 -0.56 1.75 -1.58 -2.03 0.00 0.00 175.02 173.37 3fml s HIS 199 N -2.80 1.87 0.51 3.16 5.65 -1.26 -4.86 115.29 117.56 3fml s HIS 199 Ca 0.16 0.44 -0.06 0.00 0.25 0.00 0.00 55.06 55.84 3fml s HIS 199 Cb -0.01 -4.02 -0.04 0.00 -1.18 0.00 0.00 32.58 27.33 3fml s HIS 199 CO 0.03 -3.38 0.84 1.52 -0.65 0.00 0.00 174.74 173.10 3fml s TYR 200 N 5.64 3.56 0.00 3.88 -0.85 -1.26 -5.10 117.35 123.22 3fml s TYR 200 Ca 0.78 0.90 0.00 0.00 -0.52 0.00 0.00 57.07 58.23 3fml s TYR 200 Cb -0.28 -2.40 0.00 0.00 0.38 0.00 0.00 41.96 39.66 3fml s TYR 200 CO 0.32 -0.38 0.00 0.27 -1.52 0.00 0.00 175.55 174.23 3fml n ASN 201 N -2.37 1.95 0.28 -0.18 0.23 -1.26 -5.03 115.26 108.87 3fml n ASN 201 Ca 0.02 -0.57 0.13 0.00 -0.53 0.00 0.00 54.58 53.62 3fml n ASN 201 Cb 0.55 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 39.07 3fml n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3fml h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.98 -2.70 115.11 110.80 3fml h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fml h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3fml h GLN 202 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 3fml n THR 203 N -4.10 0.64 -0.21 -0.54 -2.24 -1.26 -2.06 114.28 104.52 3fml n THR 203 Ca -0.03 0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 3fml n THR 203 Cb 0.10 -0.86 0.32 0.00 -2.10 0.00 0.00 70.33 67.78 3fml n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3fml h VAL 204 N 0.00 1.05 -0.27 2.28 -1.51 -1.86 -1.67 116.25 114.27 3fml h VAL 204 Ca 0.00 -0.29 -0.09 0.00 -1.23 0.00 0.00 66.70 65.10 3fml h VAL 204 Cb 0.24 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.52 3fml h VAL 204 CO 0.00 0.15 -0.20 0.44 -1.23 0.00 0.00 177.57 176.74 3fml h ASP 205 N 0.84 0.49 -0.47 4.19 3.32 -1.67 -2.73 116.42 120.40 3fml h ASP 205 Ca 0.32 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3fml h ASP 205 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fml h ASP 205 CO -0.11 0.70 -0.03 0.40 -1.72 0.00 0.00 179.24 178.48 3fml h ILE 206 N 0.44 1.26 -0.49 0.35 1.08 -1.46 -0.77 117.51 117.92 3fml h ILE 206 Ca 0.07 -1.12 0.07 0.00 -0.39 0.00 0.00 64.86 63.50 3fml h ILE 206 Cb 0.60 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 3fml h ILE 206 CO 0.04 0.39 0.17 -0.25 -0.69 0.00 0.00 178.15 177.81 3fml h TRP 207 N 0.83 0.29 -0.67 1.37 2.91 -1.21 -1.43 115.95 118.04 3fml h TRP 207 Ca 0.15 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3fml h TRP 207 Cb 0.54 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 3fml h TRP 207 CO 0.03 0.09 0.38 0.77 -1.03 0.00 0.00 178.44 178.69 3fml h SER 208 N 0.34 0.83 -0.83 2.65 0.02 -1.11 -2.14 113.55 113.31 3fml h SER 208 Ca 0.23 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3fml h SER 208 Cb 0.25 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3fml h SER 208 CO -0.25 0.67 0.54 0.58 -1.14 0.00 0.00 176.83 177.24 3fml h VAL 209 N 0.92 1.22 -0.69 2.27 2.07 -0.77 -1.14 116.25 120.12 3fml h VAL 209 Ca 0.24 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3fml h VAL 209 Cb 0.01 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 3fml h VAL 209 CO -0.04 0.21 0.43 1.23 0.02 0.00 0.00 177.57 179.42 3fml h GLY 210 N 1.13 0.99 1.01 2.17 0.00 -0.82 0.31 103.07 107.86 3fml h GLY 210 Ca 0.30 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3fml h GLY 210 CO -0.06 0.27 0.20 0.00 0.00 0.00 0.00 176.54 176.95 3fml h ILE 212 N 0.86 1.26 -0.37 0.00 2.04 -0.65 -2.27 117.51 118.39 3fml h ILE 212 Ca 0.20 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3fml h ILE 212 Cb 0.27 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3fml h ILE 212 CO -0.01 0.24 0.21 -0.03 0.00 0.00 0.00 178.15 178.56 3fml h MET 213 N -0.09 0.42 -0.74 2.37 4.05 -0.29 -0.42 114.93 120.23 3fml h MET 213 Ca 0.03 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 3fml h MET 213 Cb 0.37 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.02 3fml h MET 213 CO 0.01 0.28 0.43 0.00 0.23 0.00 0.00 176.91 177.86 3fml h ALA 214 N 1.17 1.01 -0.48 0.39 0.00 -1.23 -1.34 119.26 118.78 3fml h ALA 214 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3fml h ALA 214 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fml h ALA 214 CO -0.07 0.12 -0.03 1.49 0.00 0.00 0.00 179.25 180.75 3fml h GLU 215 N 0.78 0.83 -0.12 0.00 4.81 -0.77 -0.71 114.58 119.40 3fml h GLU 215 Ca 0.33 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3fml h GLU 215 Cb 0.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3fml h GLU 215 CO -0.19 0.85 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.68 3fml h LEU 216 N 0.76 0.19 0.00 1.64 3.38 -0.58 0.45 115.31 121.16 3fml h LEU 216 Ca 0.14 -0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 3fml h LEU 216 Cb 0.51 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3fml h LEU 216 CO 0.03 0.40 -1.13 -0.07 0.09 0.00 0.00 178.44 177.77 3fml h LEU 217 N 0.19 0.61 0.00 1.67 3.38 -0.57 -2.66 115.31 117.92 3fml h LEU 217 Ca 0.03 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3fml h LEU 217 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fml h LEU 217 CO 0.03 1.39 -1.66 0.35 0.09 0.00 0.00 178.44 178.64 3fml n THR 218 N -3.70 0.00 -1.04 0.22 -2.24 -0.34 -4.61 114.28 102.57 3fml n THR 218 Ca -0.09 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 3fml n THR 218 Cb 0.94 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 3fml n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fml n GLY 219 N 1.56 0.45 3.14 3.38 0.00 0.16 -4.45 105.19 109.44 3fml n GLY 219 Ca -0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3fml n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fml s ARG 220 N -1.04 1.02 0.23 1.61 1.81 -1.22 -4.10 118.95 117.27 3fml s ARG 220 Ca 0.00 -0.71 -0.32 0.00 -1.72 0.00 0.00 55.73 52.99 3fml s ARG 220 Cb 0.00 -1.03 -0.13 0.00 -0.45 0.00 0.00 34.95 33.34 3fml s ARG 220 CO 0.00 0.26 1.52 2.41 -0.68 0.00 0.00 175.30 178.81 3fml n THR 221 N 2.11 0.64 -0.00 0.02 -1.04 -1.26 -4.08 114.28 110.67 3fml n THR 221 Ca -0.17 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 3fml n THR 221 Cb 0.55 -1.63 -0.10 0.00 -1.82 0.00 0.00 70.33 67.33 3fml n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fml h LEU 222 N 4.98 -0.03 -6.34 -4.42 5.85 -1.92 -3.39 115.31 110.05 3fml h LEU 222 Ca -0.45 -0.50 -0.59 0.00 0.84 0.00 0.00 57.88 57.18 3fml h LEU 222 Cb 1.25 0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.88 3fml h LEU 222 CO 0.81 0.49 -0.73 0.49 -0.34 0.00 0.00 178.44 179.16 3fml n PHE 223 N -4.86 2.31 -1.62 1.25 3.01 -1.26 -5.01 117.46 111.28 3fml n PHE 223 Ca -0.09 -3.99 -0.41 0.00 1.01 0.00 0.00 57.45 53.98 3fml n PHE 223 Cb 0.27 -0.46 -0.01 0.00 -0.01 0.00 0.00 39.48 39.27 3fml n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fml n PRO 224 N 1.36 3.15 -2.05 -1.08 -0.04 -1.26 -4.66 135.00 130.42 3fml n PRO 224 Ca 0.26 -2.51 -0.38 0.00 -0.04 0.00 0.00 63.50 60.82 3fml n PRO 224 Cb 0.43 -3.12 0.01 0.00 -0.04 0.00 0.00 33.50 30.77 3fml n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fml s GLY 225 N 2.79 2.87 0.10 0.55 0.00 -1.26 -4.92 107.32 107.45 3fml s GLY 225 Ca 0.54 1.17 0.27 0.00 0.00 0.00 0.00 44.72 46.70 3fml s GLY 225 CO -0.08 1.70 1.79 -1.30 0.00 0.00 0.00 173.10 175.21 3fml n THR 226 N -0.34 0.29 -3.75 0.90 -2.24 -1.26 -4.25 114.28 103.63 3fml n THR 226 Ca 0.06 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3fml n THR 226 Cb 0.45 -0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3fml n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fml s ASP 227 N -3.77 -0.08 0.27 3.42 1.47 -1.24 -2.44 116.67 114.29 3fml s ASP 227 Ca 0.12 -0.34 0.00 0.00 1.18 0.00 0.00 52.55 53.51 3fml s ASP 227 Cb 0.16 0.34 0.59 0.00 -0.34 0.00 0.00 42.92 43.66 3fml s ASP 227 CO 0.58 -0.64 1.73 0.45 0.68 0.00 0.00 175.17 177.97 3fml h HIS 228 N 2.00 0.66 -0.11 2.11 3.86 -1.88 0.17 115.15 121.96 3fml h HIS 228 Ca -0.27 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 58.88 3fml h HIS 228 Cb 1.21 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3fml h HIS 228 CO 0.62 0.06 -0.31 0.82 0.86 0.00 0.00 177.93 179.98 3fml h ILE 229 N 0.49 1.39 -0.84 2.45 1.08 -2.00 -1.97 117.51 118.12 3fml h ILE 229 Ca 0.49 -1.63 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 3fml h ILE 229 Cb 0.80 2.15 -0.04 0.00 -3.07 0.00 0.00 36.82 36.66 3fml h ILE 229 CO -0.44 0.48 0.56 -0.78 -0.69 0.00 0.00 178.15 177.28 3fml h ASP 230 N -0.03 0.96 -0.74 1.72 1.82 -1.84 -2.06 116.42 116.24 3fml h ASP 230 Ca -0.01 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 3fml h ASP 230 Cb 0.93 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 3fml h ASP 230 CO 0.07 0.69 0.30 -0.61 -1.61 0.00 0.00 179.24 178.08 3fml h GLN 231 N 1.13 1.10 -0.56 0.28 4.15 -0.92 -1.82 115.11 118.47 3fml h GLN 231 Ca 0.31 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3fml h GLN 231 Cb -0.12 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 3fml h GLN 231 CO -0.07 0.90 0.31 1.25 -1.93 0.00 0.00 178.83 179.29 3fml h LEU 232 N 1.06 0.70 -0.69 -2.39 5.85 -0.93 -0.14 115.31 118.78 3fml h LEU 232 Ca 0.25 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3fml h LEU 232 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3fml h LEU 232 CO -0.02 0.59 0.43 0.11 -0.34 0.00 0.00 178.44 179.21 3fml h LYS 233 N 0.75 0.92 -0.45 1.25 1.57 -1.18 0.26 116.57 119.70 3fml h LYS 233 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3fml h LYS 233 Cb 0.05 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3fml h LYS 233 CO -0.03 0.65 0.24 -0.07 -0.57 0.00 0.00 179.45 179.66 3fml h LEU 234 N 0.93 0.36 -0.12 2.94 3.38 -0.99 -0.74 115.31 121.07 3fml h LEU 234 Ca 0.25 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3fml h LEU 234 Cb -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3fml h LEU 234 CO -0.05 0.25 0.06 0.40 0.09 0.00 0.00 178.44 179.19 3fml h ILE 235 N 0.47 1.12 0.00 1.22 2.04 -0.30 -2.99 117.51 119.07 3fml h ILE 235 Ca 0.19 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3fml h ILE 235 Cb 0.07 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3fml h ILE 235 CO -0.12 0.11 -0.43 -0.07 0.00 0.00 0.00 178.15 177.64 3fml h LEU 236 N 0.07 0.00 -0.79 1.44 3.38 -0.41 -0.96 115.31 118.04 3fml h LEU 236 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fml h LEU 236 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3fml h LEU 236 CO -0.01 0.43 0.51 -0.09 0.09 0.00 0.00 178.44 179.38 3fml h ARG 237 N 0.00 1.05 0.07 1.13 2.43 -1.08 0.12 114.38 118.10 3fml h ARG 237 Ca -0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3fml h ARG 237 Cb 0.85 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3fml h ARG 237 CO 0.06 0.71 -0.04 1.25 -1.51 0.00 0.00 179.97 180.44 3fml h LEU 238 N 1.08 -0.08 -0.10 3.80 5.85 -1.28 -3.39 115.31 121.18 3fml h LEU 238 Ca 0.29 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3fml h LEU 238 Cb -0.10 0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3fml h LEU 238 CO -0.06 0.60 -0.62 1.33 -0.34 0.00 0.00 178.44 179.34 3fml n VAL 239 N -4.80 0.00 0.00 1.05 0.24 -0.41 -0.94 118.33 113.47 3fml n VAL 239 Ca -0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3fml n VAL 239 Cb 0.29 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3fml n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fml n GLY 240 N 1.48 0.35 3.78 7.63 0.00 0.41 -4.09 105.19 114.74 3fml n GLY 240 Ca 0.06 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3fml n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fml s THR 241 N -2.92 3.34 0.54 2.61 -4.23 -0.74 -4.68 115.64 109.56 3fml s THR 241 Ca 0.00 0.79 -0.21 0.00 -1.18 0.00 0.00 61.69 61.08 3fml s THR 241 Cb 0.00 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 3fml s THR 241 CO 0.00 -0.22 1.30 -2.16 -0.54 0.00 0.00 174.62 172.99 3fml s PRO 242 N -3.44 3.21 0.83 3.99 0.04 -1.26 -4.88 135.00 133.49 3fml s PRO 242 Ca 0.70 2.08 -0.10 0.00 0.04 0.00 0.00 61.00 63.72 3fml s PRO 242 Cb -0.21 -2.22 0.13 0.00 0.04 0.00 0.00 34.50 32.23 3fml s PRO 242 CO 0.28 -1.09 1.16 0.20 0.04 0.00 0.00 177.00 177.60 3fml s GLY 243 N -1.14 1.72 0.23 0.56 0.00 -1.26 -4.87 107.32 102.56 3fml s GLY 243 Ca 0.71 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 3fml s GLY 243 CO 0.43 -0.51 1.77 0.00 0.00 0.00 0.00 173.10 174.79 3fml h ALA 244 N -1.09 1.00 -0.30 3.20 0.00 -1.99 -1.79 119.26 118.29 3fml h ALA 244 Ca -0.44 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3fml h ALA 244 Cb 1.28 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3fml h ALA 244 CO 0.50 -0.09 -0.23 1.49 0.00 0.00 0.00 179.25 180.92 3fml h GLU 245 N 0.56 -0.19 -0.40 0.00 4.81 -2.01 -1.89 114.58 115.45 3fml h GLU 245 Ca 0.37 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 3fml h GLU 245 Cb 0.43 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3fml h GLU 245 CO -0.30 -0.13 -0.16 1.25 -0.73 0.00 0.00 179.01 178.94 3fml h LEU 246 N -0.20 0.84 -0.91 1.64 5.85 -1.83 -3.16 115.31 117.53 3fml h LEU 246 Ca 0.16 -0.39 0.16 0.00 0.84 0.00 0.00 57.88 58.65 3fml h LEU 246 Cb 0.45 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 3fml h LEU 246 CO -0.42 1.04 0.51 -0.07 -0.34 0.00 0.00 178.44 179.16 3fml h LEU 247 N 0.63 0.64 -1.49 2.25 3.38 -0.86 0.11 115.31 119.98 3fml h LEU 247 Ca 0.09 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3fml h LEU 247 Cb 0.70 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3fml h LEU 247 CO 0.05 0.26 0.39 0.11 0.09 0.00 0.00 178.44 179.34 3fml h LYS 248 N 0.70 0.63 0.00 1.13 1.57 -1.32 -2.66 116.57 116.62 3fml h LYS 248 Ca 0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3fml h LYS 248 Cb 0.72 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3fml h LYS 248 CO -0.36 0.42 0.00 0.87 -0.57 0.00 0.00 179.45 179.81 3fml h LYS 249 N 0.65 0.00 -6.00 3.15 1.57 -0.80 -3.40 116.57 111.73 3fml h LYS 249 Ca 0.24 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.55 3fml h LYS 249 Cb 0.15 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3fml h LYS 249 CO -0.07 0.00 1.15 0.42 -0.57 0.00 0.00 179.45 180.38 3fml s ILE 250 N -3.29 3.64 0.48 1.86 1.01 -1.01 -4.79 121.20 119.11 3fml s ILE 250 Ca 0.06 -0.28 0.32 0.00 0.00 0.00 0.00 60.65 60.75 3fml s ILE 250 Cb 0.08 -4.51 0.35 0.00 0.01 0.00 0.00 42.46 38.39 3fml s ILE 250 CO 0.60 -1.44 2.17 0.77 0.00 0.00 0.00 174.94 177.04 3fml h SER 251 N 11.16 0.00 -3.26 3.58 4.64 -1.63 -3.40 113.55 124.64 3fml h SER 251 Ca 0.01 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 3fml h SER 251 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 3fml h SER 251 CO 1.30 0.06 1.01 -0.55 -0.87 0.00 0.00 176.83 177.77 3fml s SER 252 N -5.93 6.54 0.23 4.97 0.15 -1.15 -4.91 113.70 113.60 3fml s SER 252 Ca -0.03 0.98 -0.06 0.00 0.70 0.00 0.00 55.95 57.54 3fml s SER 252 Cb 0.13 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 62.12 3fml s SER 252 CO 0.54 -1.24 1.77 -0.08 1.20 0.00 0.00 173.24 175.43 3fml h GLU 253 N 9.84 1.05 0.44 5.44 4.81 -1.94 -1.63 114.58 132.59 3fml h GLU 253 Ca -0.26 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3fml h GLU 253 Cb 1.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3fml h GLU 253 CO 1.06 0.91 -0.21 1.03 -0.73 0.00 0.00 179.01 181.07 3fml h SER 254 N 1.01 -0.50 -0.59 1.04 0.87 -1.95 -1.34 113.55 112.09 3fml h SER 254 Ca 0.22 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3fml h SER 254 Cb 0.32 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3fml h SER 254 CO -0.00 -0.33 0.38 0.00 -0.53 0.00 0.00 176.83 176.35 3fml h ALA 255 N -0.08 0.75 -0.29 6.23 0.00 -1.93 -1.86 119.26 122.09 3fml h ALA 255 Ca -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fml h ALA 255 Cb 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3fml h ALA 255 CO 0.10 0.15 0.02 -0.09 0.00 0.00 0.00 179.25 179.43 3fml h ARG 256 N 0.77 0.10 -0.91 0.00 2.43 -1.24 -0.99 114.38 114.54 3fml h ARG 256 Ca 0.22 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3fml h ARG 256 Cb -0.05 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3fml h ARG 256 CO -0.07 0.07 0.61 -0.97 -1.51 0.00 0.00 179.97 178.10 3fml h ASN 257 N 0.11 1.04 -0.27 -3.80 -0.73 -0.89 -2.27 115.58 108.76 3fml h ASN 257 Ca 0.14 -0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.21 3fml h ASN 257 Cb 0.18 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 3fml h ASN 257 CO -0.22 0.74 -0.14 0.22 -0.37 0.00 0.00 177.43 177.66 3fml h TYR 258 N 1.22 0.67 -0.76 0.67 3.20 -0.94 -3.14 116.97 117.88 3fml h TYR 258 Ca 0.34 -0.17 0.13 0.00 3.14 0.00 0.00 58.73 62.18 3fml h TYR 258 Cb -0.10 -0.15 -0.09 0.00 1.54 0.00 0.00 36.73 37.92 3fml h TYR 258 CO -0.00 0.83 0.33 0.82 -1.64 0.00 0.00 178.16 178.49 3fml h ILE 259 N 0.32 0.70 0.00 1.81 1.08 -0.78 0.18 117.51 120.81 3fml h ILE 259 Ca 0.06 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3fml h ILE 259 Cb 0.65 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3fml h ILE 259 CO 0.04 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.59 3fml n GLN 260 N -4.96 0.14 0.23 2.37 6.02 -0.89 -2.25 117.38 118.03 3fml n GLN 260 Ca 0.14 0.41 0.14 0.00 -0.01 0.00 0.00 57.00 57.68 3fml n GLN 260 Cb 0.39 -1.78 0.36 0.00 1.02 0.00 0.00 30.24 30.24 3fml n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fml h SER 261 N 0.00 0.00 -3.64 1.08 4.64 -0.91 -3.46 113.55 111.26 3fml h SER 261 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3fml h SER 261 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3fml h SER 261 CO 0.00 0.00 0.29 -0.76 -0.87 0.00 0.00 176.83 175.49 3fml s LEU 262 N -6.05 4.60 0.26 5.97 1.43 -0.96 -5.00 118.68 118.93 3fml s LEU 262 Ca 0.05 1.82 -0.31 0.00 -1.03 0.00 0.00 54.13 54.66 3fml s LEU 262 Cb 0.07 -3.50 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 3fml s LEU 262 CO 0.62 0.14 1.61 -0.89 0.23 0.00 0.00 176.35 178.05 3fml s THR 263 N -0.95 2.14 0.39 5.49 2.01 -1.26 -4.93 115.64 118.53 3fml s THR 263 Ca 0.40 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 3fml s THR 263 Cb -0.25 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3fml s THR 263 CO 0.30 0.02 1.29 -1.10 -0.69 0.00 0.00 174.62 174.43 3fml s GLN 264 N -0.02 4.05 -0.00 4.92 -0.21 -1.26 -4.93 119.66 122.20 3fml s GLN 264 Ca 0.66 2.14 0.01 0.00 0.02 0.00 0.00 55.36 58.19 3fml s GLN 264 Cb -0.47 -2.81 -0.00 0.00 1.00 0.00 0.00 33.01 30.72 3fml s GLN 264 CO 0.43 -0.42 -0.05 -1.64 -2.12 0.00 0.00 175.29 171.49 3fml s MET 265 N -2.16 0.39 0.54 2.91 -1.94 -1.26 -4.99 119.30 112.78 3fml s MET 265 Ca 0.55 -0.17 -0.12 0.00 -1.71 0.00 0.00 55.69 54.25 3fml s MET 265 Cb -0.38 -0.37 -0.05 0.00 2.01 0.00 0.00 34.83 36.04 3fml s MET 265 CO 0.49 0.10 0.95 -1.25 -0.01 0.00 0.00 175.02 175.30 3fml s PRO 266 N -0.10 3.71 0.30 2.03 0.04 -1.26 -1.79 135.00 137.92 3fml s PRO 266 Ca 0.02 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 3fml s PRO 266 Cb -0.02 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3fml s PRO 266 CO -0.00 -0.37 1.54 1.17 0.04 0.00 0.00 177.00 179.37 3fml n LYS 267 N -2.19 2.57 -1.87 4.56 4.81 -1.26 -4.11 118.16 120.69 3fml n LYS 267 Ca 0.05 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 58.10 3fml n LYS 267 Cb 0.54 -2.66 0.06 0.00 0.02 0.00 0.00 35.03 32.99 3fml n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3fml s MET 268 N -0.82 2.66 -0.41 1.64 -1.94 -0.12 -4.92 119.30 115.39 3fml s MET 268 Ca 0.62 0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 54.74 3fml s MET 268 Cb -0.52 -2.00 0.02 0.00 2.01 0.00 0.00 34.83 34.34 3fml s MET 268 CO 0.52 -1.17 1.05 1.21 -0.01 0.00 0.00 175.02 176.62 3fml s ASN 269 N -4.37 6.69 0.43 3.03 3.84 -1.26 -4.92 114.94 118.39 3fml s ASN 269 Ca 0.59 0.58 0.15 0.00 0.21 0.00 0.00 52.86 54.39 3fml s ASN 269 Cb -0.11 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 39.04 3fml s ASN 269 CO 0.51 -1.05 1.96 -0.26 -2.79 0.00 0.00 177.10 175.47 3fml h PHE 270 N 8.78 0.00 -0.12 0.43 -1.00 -1.95 -1.71 116.94 121.37 3fml h PHE 270 Ca -0.23 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.51 3fml h PHE 270 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3fml h PHE 270 CO 0.90 0.22 -0.11 0.00 -1.61 0.00 0.00 178.31 177.70 3fml h ALA 271 N 1.78 1.59 0.00 2.45 0.00 -1.91 0.16 119.26 123.33 3fml h ALA 271 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fml h ALA 271 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fml h ALA 271 CO 0.03 0.30 -0.13 -0.91 0.00 0.00 0.00 179.25 178.54 3fml h ASN 272 N 0.18 0.00 0.12 0.00 -0.26 -1.73 -3.30 115.58 110.58 3fml h ASN 272 Ca 0.04 -0.01 -0.29 0.00 -0.56 0.00 0.00 56.30 55.47 3fml h ASN 272 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 3fml h ASN 272 CO 0.02 0.01 -1.52 0.58 -1.06 0.00 0.00 177.43 175.46 3fml h VAL 273 N 0.00 0.95 -2.44 2.81 2.07 -0.97 -3.39 116.25 115.29 3fml h VAL 273 Ca 0.00 -2.39 -0.76 0.00 0.82 0.00 0.00 66.70 64.37 3fml h VAL 273 Cb 0.93 2.65 -0.31 0.00 -1.52 0.00 0.00 31.29 33.04 3fml h VAL 273 CO 0.00 0.72 0.59 0.49 0.02 0.00 0.00 177.57 179.39 3fml n PHE 274 N -3.86 2.87 -1.68 1.57 3.01 0.47 -5.03 117.46 114.81 3fml n PHE 274 Ca -0.26 -2.90 -0.45 0.00 1.01 0.00 0.00 57.45 54.84 3fml n PHE 274 Cb 0.92 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.30 3fml n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3fml n ILE 275 N 0.38 0.09 0.00 4.37 5.41 -1.24 -2.15 119.36 126.22 3fml n ILE 275 Ca 0.37 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 64.11 3fml n ILE 275 Cb 0.31 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 3fml n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fml n GLY 276 N 3.66 2.33 3.77 7.39 0.00 -1.26 -5.03 105.19 116.06 3fml n GLY 276 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3fml n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fml s ALA 277 N -2.26 2.88 -0.22 4.61 0.00 -0.91 -4.93 121.76 120.91 3fml s ALA 277 Ca 0.00 0.86 -0.40 0.00 0.00 0.00 0.00 51.96 52.42 3fml s ALA 277 Cb 0.00 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 3fml s ALA 277 CO 0.00 -0.64 1.61 -1.71 0.00 0.00 0.00 175.76 175.02 3fml n ASN 278 N -0.76 1.95 0.08 0.00 2.85 -1.26 -4.83 115.26 113.29 3fml n ASN 278 Ca 0.09 1.10 0.20 0.00 -0.11 0.00 0.00 54.58 55.86 3fml n ASN 278 Cb 0.49 -1.10 0.75 0.00 1.24 0.00 0.00 39.78 41.16 3fml n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fml h PRO 279 N 6.16 0.00 -0.05 1.20 0.11 -1.97 0.37 132.00 137.81 3fml h PRO 279 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3fml h PRO 279 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3fml h PRO 279 CO 0.91 0.00 -0.76 -0.07 -0.21 0.00 0.00 178.00 177.87 3fml h LEU 280 N 0.00 0.40 -0.25 2.35 3.38 -1.99 -2.01 115.31 117.19 3fml h LEU 280 Ca 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3fml h LEU 280 Cb 1.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3fml h LEU 280 CO -0.00 1.02 -0.00 0.00 0.09 0.00 0.00 178.44 179.54 3fml h ALA 281 N 0.97 0.33 -0.40 1.53 0.00 -1.31 -1.29 119.26 119.09 3fml h ALA 281 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.73 3fml h ALA 281 Cb 1.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3fml h ALA 281 CO 0.12 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.71 3fml h VAL 282 N 0.21 0.69 -0.33 0.00 2.07 -1.36 0.47 116.25 118.00 3fml h VAL 282 Ca 0.07 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3fml h VAL 282 Cb 0.42 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3fml h VAL 282 CO 0.01 0.02 0.19 -0.78 0.02 0.00 0.00 177.57 177.03 3fml h ASP 283 N 0.09 0.40 -0.50 0.57 3.58 -1.25 -1.75 116.42 117.56 3fml h ASP 283 Ca 0.19 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3fml h ASP 283 Cb 0.28 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 3fml h ASP 283 CO -0.33 0.36 0.29 0.25 -2.88 0.00 0.00 179.24 176.92 3fml h LEU 284 N 0.42 0.46 -0.88 2.28 5.85 -0.85 -2.49 115.31 120.09 3fml h LEU 284 Ca 0.12 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3fml h LEU 284 Cb 0.04 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3fml h LEU 284 CO -0.02 0.32 0.55 -0.07 -0.34 0.00 0.00 178.44 178.88 3fml h LEU 285 N 0.58 0.85 -1.36 2.25 3.38 -0.55 -0.41 115.31 120.06 3fml h LEU 285 Ca 0.21 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3fml h LEU 285 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3fml h LEU 285 CO -0.11 0.53 0.05 -0.33 0.09 0.00 0.00 178.44 178.67 3fml h GLU 286 N 0.98 0.48 0.00 1.13 5.08 -0.98 0.18 114.58 121.44 3fml h GLU 286 Ca 0.39 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3fml h GLU 286 Cb 0.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3fml h GLU 286 CO -0.19 0.47 -0.45 0.87 -1.00 0.00 0.00 179.01 178.71 3fml h LYS 287 N 0.47 0.00 0.14 2.33 1.57 -0.77 -3.32 116.57 116.98 3fml h LYS 287 Ca 0.11 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.55 3fml h LYS 287 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3fml h LYS 287 CO 0.00 0.38 -1.76 0.52 -0.57 0.00 0.00 179.45 178.02 3fml h MET 288 N 0.00 0.30 -2.33 3.15 2.86 -0.83 -1.37 114.93 116.70 3fml h MET 288 Ca -0.01 -0.51 -0.73 0.00 -2.06 0.00 0.00 59.70 56.39 3fml h MET 288 Cb 1.31 0.19 -0.20 0.00 0.06 0.00 0.00 31.60 32.96 3fml h MET 288 CO 0.05 1.18 1.49 1.28 1.06 0.00 0.00 176.91 181.97 3fml n LEU 289 N -3.49 7.52 -4.66 1.22 4.77 0.02 -4.28 117.00 118.11 3fml n LEU 289 Ca -0.24 -4.91 -0.35 0.00 -0.03 0.00 0.00 56.01 50.49 3fml n LEU 289 Cb 1.06 -1.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 3fml n LEU 289 CO 0.49 1.97 -0.26 -0.69 -1.33 0.00 0.00 177.39 177.57 3fml s VAL 290 N -2.80 4.75 0.13 4.08 1.01 -1.26 -4.89 120.40 121.42 3fml s VAL 290 Ca 0.50 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 3fml s VAL 290 Cb 0.25 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3fml s VAL 290 CO -0.17 0.50 1.77 0.25 0.00 0.00 0.00 175.10 177.46 3fml h LEU 291 N 6.26 0.32 -8.88 3.92 5.85 -1.91 -3.39 115.31 117.48 3fml h LEU 291 Ca -0.41 -0.03 -0.57 0.00 0.84 0.00 0.00 57.88 57.72 3fml h LEU 291 Cb 1.18 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 3fml h LEU 291 CO 0.66 0.26 0.97 -0.62 -0.34 0.00 0.00 178.44 179.37 3fml s ASP 292 N -5.48 6.62 0.50 1.25 3.68 -1.26 -4.91 116.67 117.08 3fml s ASP 292 Ca -0.13 0.96 0.25 0.00 2.13 0.00 0.00 52.55 55.76 3fml s ASP 292 Cb 0.09 -2.54 1.32 0.00 -1.45 0.00 0.00 42.92 40.34 3fml s ASP 292 CO 0.71 -1.16 2.03 0.77 0.13 0.00 0.00 175.17 177.64 3fml h SER 293 N 9.43 0.00 0.04 -0.34 4.64 -1.98 -1.68 113.55 123.67 3fml h SER 293 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3fml h SER 293 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3fml h SER 293 CO 1.06 0.15 -0.01 0.44 -0.87 0.00 0.00 176.83 177.60 3fml h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.94 -3.03 116.42 119.86 3fml h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fml h ASP 294 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3fml h ASP 294 CO 0.02 0.01 -0.46 0.29 -1.57 0.00 0.00 179.24 177.53 3fml n LYS 295 N -3.72 2.03 -1.70 3.56 5.02 -0.64 -4.98 118.16 117.73 3fml n LYS 295 Ca -0.03 -0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 55.42 3fml n LYS 295 Cb 0.10 -1.20 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3fml n LYS 295 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fml n ARG 296 N -0.65 1.88 -2.12 1.97 1.74 -1.15 -4.97 116.66 113.36 3fml n ARG 296 Ca 0.05 0.67 -0.37 0.00 -0.77 0.00 0.00 57.85 57.42 3fml n ARG 296 Cb 0.27 -2.40 0.01 0.00 -1.02 0.00 0.00 32.46 29.32 3fml n ARG 296 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3fml s ILE 297 N -1.22 2.81 0.52 0.55 2.07 -0.52 -5.04 121.20 120.38 3fml s ILE 297 Ca 0.62 0.61 0.01 0.00 -1.41 0.00 0.00 60.65 60.48 3fml s ILE 297 Cb -0.50 -3.31 0.02 0.00 0.13 0.00 0.00 42.46 38.81 3fml s ILE 297 CO 0.57 -0.01 0.75 0.42 -1.91 0.00 0.00 174.94 174.76 3fml s THR 298 N -1.48 3.08 0.11 4.00 -4.23 -1.26 -4.89 115.64 110.96 3fml s THR 298 Ca 0.66 -0.60 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 3fml s THR 298 Cb -0.32 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.29 3fml s THR 298 CO 0.38 -0.11 1.73 0.00 -0.54 0.00 0.00 174.62 176.09 3fml h ALA 299 N 0.16 0.23 -0.55 3.99 0.00 -1.93 0.10 119.26 121.26 3fml h ALA 299 Ca -0.43 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3fml h ALA 299 Cb 1.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3fml h ALA 299 CO 0.54 -0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.82 3fml h ALA 300 N 1.02 0.71 -0.41 0.00 0.00 -1.93 -1.75 119.26 116.91 3fml h ALA 300 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fml h ALA 300 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fml h ALA 300 CO -0.01 -0.04 0.11 1.96 0.00 0.00 0.00 179.25 181.27 3fml h GLN 301 N 0.56 0.65 -0.62 0.00 4.20 -1.92 -3.13 115.11 114.85 3fml h GLN 301 Ca 0.24 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3fml h GLN 301 Cb 0.13 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3fml h GLN 301 CO -0.15 0.66 0.40 0.00 -0.67 0.00 0.00 178.83 179.07 3fml h ALA 302 N 0.96 1.54 0.00 3.87 0.00 -0.38 -1.93 119.26 123.32 3fml h ALA 302 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fml h ALA 302 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fml h ALA 302 CO -0.00 0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 179.50 3fml h LEU 303 N 0.84 0.00 -1.07 0.00 3.38 -1.28 -1.62 115.31 115.56 3fml h LEU 303 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3fml h LEU 303 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fml h LEU 303 CO -0.05 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3fml n ALA 304 N -2.29 2.55 -1.76 1.53 0.00 -0.73 -4.70 120.51 115.11 3fml n ALA 304 Ca -0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 3fml n ALA 304 Cb 0.21 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 3fml n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fml s HIS 305 N -1.92 3.43 0.59 0.00 5.04 -0.61 -4.92 115.29 116.89 3fml s HIS 305 Ca 0.36 1.64 0.29 0.00 -1.54 0.00 0.00 55.06 55.81 3fml s HIS 305 Cb 0.20 -3.33 1.52 0.00 0.04 0.00 0.00 32.58 31.01 3fml s HIS 305 CO 0.31 -0.80 1.96 0.00 -2.34 0.00 0.00 174.74 173.87 3fml h ALA 306 N 3.53 2.09 -0.26 1.58 0.00 -1.91 -1.33 119.26 122.95 3fml h ALA 306 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3fml h ALA 306 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3fml h ALA 306 CO 0.66 -0.59 0.20 -0.92 0.00 0.00 0.00 179.25 178.60 3fml h TYR 307 N 0.00 0.00 -0.50 0.00 3.20 -1.91 -1.60 116.97 116.15 3fml h TYR 307 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3fml h TYR 307 Cb 0.97 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3fml h TYR 307 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3fml n PHE 308 N -4.32 1.82 -0.32 -3.82 3.01 -0.50 -4.72 117.46 108.60 3fml n PHE 308 Ca 0.03 -0.76 0.17 0.00 1.01 0.00 0.00 57.45 57.91 3fml n PHE 308 Cb 0.36 -0.47 0.38 0.00 -0.01 0.00 0.00 39.48 39.74 3fml n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fml h ALA 309 N 3.49 1.66 0.00 4.37 0.00 -1.41 0.20 119.26 127.57 3fml h ALA 309 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fml h ALA 309 Cb 1.86 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3fml h ALA 309 CO 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3fml n GLN 310 N -5.03 0.36 -0.01 0.00 10.64 -1.26 -3.91 117.38 118.18 3fml n GLN 310 Ca 0.26 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.43 3fml n GLN 310 Cb 0.78 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.64 3fml n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fml n TYR 311 N -1.32 0.00 -1.73 2.61 4.02 0.41 -5.05 117.16 116.10 3fml n TYR 311 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.60 3fml n TYR 311 Cb 0.25 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 3fml n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3fml n HIS 312 N -2.02 2.77 -3.37 -0.72 -0.00 0.37 -4.98 115.22 107.26 3fml n HIS 312 Ca -0.03 0.13 -0.13 0.00 0.46 0.00 0.00 57.72 58.14 3fml n HIS 312 Cb 0.51 -2.64 -0.08 0.00 -0.12 0.00 0.00 29.99 27.66 3fml n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fml s ASP 313 N 0.91 1.02 0.61 0.26 3.68 -1.26 -5.00 116.67 116.89 3fml s ASP 313 Ca 0.71 -0.44 0.31 0.00 2.13 0.00 0.00 52.55 55.26 3fml s ASP 313 Cb -0.51 0.78 1.72 0.00 -1.45 0.00 0.00 42.92 43.46 3fml s ASP 313 CO 0.39 -0.36 2.08 -0.65 0.13 0.00 0.00 175.17 176.76 3fml h PRO 314 N 8.22 0.00 -0.04 4.34 0.11 -1.96 0.80 132.00 143.47 3fml h PRO 314 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3fml h PRO 314 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fml h PRO 314 CO 0.30 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.84 3fml n ASP 315 N -3.58 2.05 -2.22 -2.05 10.43 -1.26 -4.17 116.55 115.75 3fml n ASP 315 Ca 0.01 -1.69 -0.11 0.00 2.57 0.00 0.00 54.79 55.57 3fml n ASP 315 Cb 0.34 -0.02 0.04 0.00 1.84 0.00 0.00 41.12 43.33 3fml n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fml n ASP 316 N 0.60 3.16 -3.31 -2.24 2.03 0.27 -4.88 116.55 112.18 3fml n ASP 316 Ca 0.17 -2.98 -0.26 0.00 0.52 0.00 0.00 54.79 52.25 3fml n ASP 316 Cb 0.44 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 3fml n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fml n GLU 317 N -0.63 0.43 -1.86 -0.67 1.02 -1.21 -4.88 120.64 112.84 3fml n GLU 317 Ca 0.26 -3.21 -0.32 0.00 -0.02 0.00 0.00 57.16 53.86 3fml n GLU 317 Cb 0.89 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.86 3fml n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fml s PRO 318 N -0.48 3.06 0.43 3.49 0.04 -1.26 -4.97 135.00 135.30 3fml s PRO 318 Ca 0.34 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.68 3fml s PRO 318 Cb 0.09 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.64 3fml s PRO 318 CO -0.16 -1.02 0.53 0.14 0.04 0.00 0.00 177.00 176.52 3fml s VAL 319 N -2.52 2.87 0.22 -0.36 -7.23 -1.26 -4.14 120.40 107.97 3fml s VAL 319 Ca 0.64 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 3fml s VAL 319 Cb -0.17 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 3fml s VAL 319 CO 0.42 0.00 0.42 0.00 -0.31 0.00 0.00 175.10 175.63 3fml s ALA 320 N -2.40 3.78 0.73 1.32 0.00 -1.25 -5.01 121.76 118.93 3fml s ALA 320 Ca 0.53 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 3fml s ALA 320 Cb -0.08 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 21.01 3fml s ALA 320 CO 0.32 0.40 1.25 -0.51 0.00 0.00 0.00 175.76 177.22 3fml s ASP 321 N -3.13 4.10 0.35 0.00 -0.00 -1.26 -4.71 116.67 112.02 3fml s ASP 321 Ca 0.40 2.48 -0.27 0.00 -0.00 0.00 0.00 52.55 55.16 3fml s ASP 321 Cb -0.11 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 40.09 3fml s ASP 321 CO 0.29 -2.34 1.19 -2.65 -0.00 0.00 0.00 175.17 171.66 3fml n PRO 322 N -2.62 1.84 -3.95 8.23 -0.02 -1.26 -4.74 135.00 132.48 3fml n PRO 322 Ca 0.15 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.93 3fml n PRO 322 Cb 0.49 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 3fml n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fml s TYR 323 N -1.12 3.12 -0.61 6.00 5.04 -1.26 -5.08 117.35 123.44 3fml s TYR 323 Ca 0.58 -1.63 -0.26 0.00 -2.44 0.00 0.00 57.07 53.32 3fml s TYR 323 Cb -0.59 -2.07 0.04 0.00 0.35 0.00 0.00 41.96 39.69 3fml s TYR 323 CO 0.61 -0.75 1.07 0.34 -1.34 0.00 0.00 175.55 175.48 3fml s ASP 324 N 1.31 6.31 -0.33 4.32 -1.08 -1.26 -4.88 116.67 121.06 3fml s ASP 324 Ca -0.01 -0.34 0.07 0.00 -0.52 0.00 0.00 52.55 51.75 3fml s ASP 324 Cb -0.17 -2.49 0.49 0.00 -1.46 0.00 0.00 42.92 39.29 3fml s ASP 324 CO -0.04 -1.44 1.46 0.00 0.52 0.00 0.00 175.17 175.68 3fml n GLN 325 N 8.10 2.27 0.26 4.34 10.64 -1.26 -4.66 117.38 137.08 3fml n GLN 325 Ca 0.03 -3.41 0.11 0.00 -1.83 0.00 0.00 57.00 51.89 3fml n GLN 325 Cb 0.48 -1.96 0.71 0.00 -0.86 0.00 0.00 30.24 28.61 3fml n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fml h SER 326 N 1.35 0.00 -0.17 2.61 4.64 -2.02 -2.50 113.55 117.44 3fml h SER 326 Ca 0.29 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3fml h SER 326 Cb 1.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 3fml h SER 326 CO 0.58 0.07 0.19 2.19 -0.87 0.00 0.00 176.83 178.99 3fml h PHE 327 N 0.00 0.00 -0.54 4.77 -5.15 -1.96 -2.45 116.94 111.61 3fml h PHE 327 Ca -0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 3fml h PHE 327 Cb 0.16 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.30 3fml h PHE 327 CO 0.00 0.00 0.35 0.93 -2.00 0.00 0.00 178.31 177.59 3fml h GLU 328 N 0.00 0.63 -0.64 6.09 4.39 -1.83 -1.21 114.58 122.00 3fml h GLU 328 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3fml h GLU 328 Cb 0.45 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3fml h GLU 328 CO -0.00 0.42 0.00 -1.13 -1.16 0.00 0.00 179.01 177.14 3fml n SER 329 N -4.47 4.31 -4.79 1.42 3.41 -0.92 -4.92 113.62 107.67 3fml n SER 329 Ca 0.06 -2.40 -0.36 0.00 -0.26 0.00 0.00 58.87 55.91 3fml n SER 329 Cb 0.11 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 3fml n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fml s ARG 330 N -1.82 3.89 -0.30 4.33 3.52 -0.46 -5.08 118.95 123.03 3fml s ARG 330 Ca 0.46 -0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 3fml s ARG 330 Cb 0.29 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3fml s ARG 330 CO 0.22 0.49 0.21 -0.51 -0.81 0.00 0.00 175.30 174.89 3fml s ASP 331 N -0.18 6.03 0.13 -2.12 1.01 -1.26 -5.03 116.67 115.25 3fml s ASP 331 Ca 0.11 -0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.25 3fml s ASP 331 Cb -0.11 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 3fml s ASP 331 CO 0.00 -0.11 -0.07 -0.76 0.21 0.00 0.00 175.17 174.44 3fml s LEU 332 N 1.75 2.48 0.77 1.23 1.43 -1.26 -5.16 118.68 119.92 3fml s LEU 332 Ca 0.07 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 3fml s LEU 332 Cb -0.16 -0.18 0.05 0.00 0.03 0.00 0.00 46.19 45.93 3fml s LEU 332 CO 0.11 -0.42 1.11 -0.76 0.23 0.00 0.00 176.35 176.61 3fml s LEU 333 N -3.11 2.66 0.14 1.79 1.43 -1.26 -4.88 118.68 115.45 3fml s LEU 333 Ca 0.15 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 3fml s LEU 333 Cb 0.04 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.48 3fml s LEU 333 CO -0.02 -1.76 1.67 0.40 0.23 0.00 0.00 176.35 176.87 3fml h ILE 334 N -0.95 0.60 0.00 -0.59 2.04 -1.92 -2.18 117.51 114.51 3fml h ILE 334 Ca -0.46 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3fml h ILE 334 Cb 1.27 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3fml h ILE 334 CO 0.62 0.00 -0.08 0.44 0.00 0.00 0.00 178.15 179.13 3fml h ASP 335 N -0.13 0.00 -0.13 1.72 3.45 -1.95 -0.02 116.42 119.36 3fml h ASP 335 Ca 0.12 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.48 3fml h ASP 335 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3fml h ASP 335 CO -0.29 0.08 -0.31 -0.33 -1.57 0.00 0.00 179.24 176.82 3fml h GLU 336 N 0.00 0.44 -0.71 3.56 5.08 -1.79 -0.32 114.58 120.84 3fml h GLU 336 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fml h GLU 336 Cb 0.15 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3fml h GLU 336 CO 0.01 0.91 0.36 -1.49 -1.00 0.00 0.00 179.01 177.80 3fml h TRP 337 N 0.03 0.98 -0.13 4.33 -0.00 -0.97 -1.47 115.95 118.72 3fml h TRP 337 Ca -0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.86 3fml h TRP 337 Cb 0.91 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.76 3fml h TRP 337 CO 0.10 0.70 0.06 -0.22 -0.00 0.00 0.00 178.44 179.08 3fml h LYS 338 N 0.99 0.18 -0.64 0.49 3.64 -0.95 -0.22 116.57 120.06 3fml h LYS 338 Ca 0.25 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3fml h LYS 338 Cb 0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3fml h LYS 338 CO -0.04 0.23 0.11 1.03 -2.27 0.00 0.00 179.45 178.51 3fml h SER 339 N 0.09 0.99 -0.51 4.20 0.87 -0.83 0.05 113.55 118.40 3fml h SER 339 Ca 0.04 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3fml h SER 339 Cb 0.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3fml h SER 339 CO -0.01 0.98 0.25 -0.07 -0.53 0.00 0.00 176.83 177.45 3fml h LEU 340 N 0.98 0.66 -0.52 2.23 3.38 -1.19 -1.81 115.31 119.05 3fml h LEU 340 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fml h LEU 340 Cb 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3fml h LEU 340 CO 0.01 0.60 0.34 0.74 0.09 0.00 0.00 178.44 180.22 3fml h THR 341 N 0.68 1.14 -0.19 0.22 2.02 -0.60 -2.64 112.91 113.54 3fml h THR 341 Ca 0.18 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3fml h THR 341 Cb 0.11 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3fml h THR 341 CO -0.02 0.14 -0.00 0.22 0.37 0.00 0.00 175.52 176.22 3fml h TYR 342 N 0.70 -0.02 -0.78 3.16 3.20 -0.82 -1.36 116.97 121.06 3fml h TYR 342 Ca 0.19 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.22 3fml h TYR 342 Cb -0.07 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.14 3fml h TYR 342 CO -0.04 -0.03 0.33 -0.44 -1.64 0.00 0.00 178.16 176.35 3fml h ASP 343 N 0.05 0.34 -0.64 -2.11 3.32 -1.20 -1.02 116.42 115.16 3fml h ASP 343 Ca 0.09 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3fml h ASP 343 Cb 0.11 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3fml h ASP 343 CO -0.15 0.13 0.14 -0.33 -1.72 0.00 0.00 179.24 177.31 3fml h GLU 344 N 0.49 1.04 0.31 3.56 4.39 -1.02 -0.68 114.58 122.66 3fml h GLU 344 Ca 0.43 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 3fml h GLU 344 Cb 0.63 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3fml h GLU 344 CO -0.39 0.95 -0.15 0.28 -1.16 0.00 0.00 179.01 178.53 3fml h VAL 345 N 0.96 0.71 -0.34 3.13 2.07 -0.60 -2.90 116.25 119.29 3fml h VAL 345 Ca 0.20 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3fml h VAL 345 Cb 0.38 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3fml h VAL 345 CO 0.01 0.03 0.11 0.40 0.02 0.00 0.00 177.57 178.14 3fml h ILE 346 N -0.50 1.15 -0.00 4.57 1.08 -1.14 -2.51 117.51 120.16 3fml h ILE 346 Ca -0.04 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3fml h ILE 346 Cb 0.37 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3fml h ILE 346 CO 0.07 0.18 -0.14 -1.54 -0.69 0.00 0.00 178.15 176.03 3fml n SER 347 N -4.38 0.46 -4.72 1.72 3.41 -0.27 -4.93 113.62 104.91 3fml n SER 347 Ca 0.02 -0.48 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 3fml n SER 347 Cb 0.15 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3fml n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3fml n PHE 348 N -1.03 2.62 -4.12 7.33 7.35 -0.95 -5.00 117.46 123.66 3fml n PHE 348 Ca 0.13 0.31 -0.33 0.00 -0.76 0.00 0.00 57.45 56.80 3fml n PHE 348 Cb 0.29 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.41 3fml n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3fml s VAL 349 N 0.01 2.08 0.64 -2.13 1.01 -1.26 -5.07 120.40 115.68 3fml s VAL 349 Ca 0.66 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 3fml s VAL 349 Cb -0.55 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3fml s VAL 349 CO 0.48 0.54 1.26 -2.16 0.00 0.00 0.00 175.10 175.23 3fml s PRO 350 N 1.29 2.62 0.77 2.72 0.04 -1.26 -5.01 135.00 136.17 3fml s PRO 350 Ca 0.05 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3fml s PRO 350 Cb -0.13 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.60 3fml s PRO 350 CO -0.13 -1.52 1.08 -1.25 0.04 0.00 0.00 177.00 175.22 3fml s PRO 351 N -3.41 2.29 0.00 0.56 0.04 -1.26 -5.16 135.00 128.06 3fml s PRO 351 Ca 0.81 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3fml s PRO 351 Cb -0.35 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3fml s PRO 351 CO 0.38 -1.58 0.45 -2.30 0.04 0.00 0.00 177.00 174.00