#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1r h LYS 3 N 0.00 0.00 -3.18 -1.24 3.64 -2.08 -3.33 116.57 110.38 3m1r h LYS 3 Ca 0.00 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 3m1r h LYS 3 Cb 0.00 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.41 3m1r h LYS 3 CO 0.00 0.00 -0.63 0.71 -2.27 0.00 0.00 179.45 177.26 3m1r s TYR 4 N -4.40 3.13 0.32 1.91 1.51 -1.26 -4.97 117.35 113.59 3m1r s TYR 4 Ca -0.04 -3.13 0.37 0.00 -1.01 0.00 0.00 57.07 53.26 3m1r s TYR 4 Cb 0.13 -2.61 1.87 0.00 -0.11 0.00 0.00 41.96 41.25 3m1r s TYR 4 CO 0.45 -0.67 2.13 -1.35 -1.11 0.00 0.00 175.55 175.00 3m1r h PRO 5 N 6.05 0.00 -0.53 -1.71 0.11 -2.08 0.01 132.00 133.85 3m1r h PRO 5 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3m1r h PRO 5 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3m1r h PRO 5 CO 0.67 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.65 3m1r n PHE 6 N -2.94 1.00 -3.88 0.65 3.01 -1.26 -4.91 117.46 109.13 3m1r n PHE 6 Ca -0.01 -0.59 -0.35 0.00 1.01 0.00 0.00 57.45 57.51 3m1r n PHE 6 Cb 0.15 -0.13 -0.09 0.00 -0.01 0.00 0.00 39.48 39.40 3m1r n PHE 6 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3m1r s LEU 7 N -1.52 4.01 0.17 4.37 2.96 -0.01 -5.10 118.68 123.56 3m1r s LEU 7 Ca 0.41 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3m1r s LEU 7 Cb 0.25 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3m1r s LEU 7 CO 0.22 0.19 -0.01 0.00 -1.32 0.00 0.00 176.35 175.43 3m1r s ARG 8 N 0.28 1.11 0.39 1.98 1.70 -1.26 -4.95 118.95 118.21 3m1r s ARG 8 Ca 0.06 -1.53 -0.27 0.00 -0.47 0.00 0.00 55.73 53.52 3m1r s ARG 8 Cb -0.12 -0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 33.86 3m1r s ARG 8 CO -0.01 -0.11 1.36 -1.83 -1.08 0.00 0.00 175.30 173.63 3m1r s GLU 9 N -3.90 4.02 0.18 3.89 1.03 -1.26 -4.90 118.70 117.76 3m1r s GLU 9 Ca 0.23 2.29 -0.33 0.00 0.03 0.00 0.00 54.97 57.20 3m1r s GLU 9 Cb 0.06 -2.84 -0.15 0.00 -0.80 0.00 0.00 34.13 30.40 3m1r s GLU 9 CO 0.04 -0.49 1.35 0.00 -1.33 0.00 0.00 175.26 174.82 3m1r n ALA 10 N 0.27 0.24 -0.81 -0.84 0.00 -1.26 -1.78 120.51 116.33 3m1r n ALA 10 Ca 0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3m1r n ALA 10 Cb 0.42 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3m1r n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1r n GLY 11 N 2.38 0.86 3.63 0.00 0.00 -1.26 -5.02 105.19 105.78 3m1r n GLY 11 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3m1r n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m1r s SER 12 N -2.87 6.39 0.98 1.61 0.01 -0.73 -5.02 113.70 114.07 3m1r s SER 12 Ca 0.00 1.46 -0.10 0.00 1.31 0.00 0.00 55.95 58.62 3m1r s SER 12 Cb 0.00 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.84 3m1r s SER 12 CO 0.00 -1.27 0.83 -1.54 0.41 0.00 0.00 173.24 171.67 3m1r n SER 13 N 8.46 0.11 -4.79 2.44 3.41 -1.26 -5.02 113.62 116.98 3m1r n SER 13 Ca 0.18 -1.33 -0.38 0.00 -0.26 0.00 0.00 58.87 57.08 3m1r n SER 13 Cb 0.46 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 3m1r n SER 13 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m1r s PHE 14 N -2.78 3.82 -0.11 7.33 5.36 -1.26 -5.06 117.98 125.29 3m1r s PHE 14 Ca 0.47 1.51 -0.06 0.00 -0.96 0.00 0.00 56.93 57.89 3m1r s PHE 14 Cb -0.01 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 3m1r s PHE 14 CO 0.33 0.48 0.10 0.21 -1.46 0.00 0.00 175.22 174.88 3m1r s LYS 15 N -1.35 3.34 -0.27 10.12 2.20 -1.26 -5.09 119.74 127.42 3m1r s LYS 15 Ca 0.36 -0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.65 3m1r s LYS 15 Cb -0.21 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3m1r s LYS 15 CO 0.24 0.73 0.17 0.34 -0.36 0.00 0.00 175.35 176.47 3m1r s ASP 16 N -0.92 5.90 0.41 1.43 -1.08 -1.26 -4.98 116.67 116.17 3m1r s ASP 16 Ca 0.14 -0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.27 3m1r s ASP 16 Cb -0.12 -2.09 0.98 0.00 -1.46 0.00 0.00 42.92 40.23 3m1r s ASP 16 CO 0.03 -0.05 1.91 0.08 0.52 0.00 0.00 175.17 177.67 3m1r h ARG 17 N 8.33 0.48 -0.44 4.34 -0.00 -2.07 -2.01 114.38 123.01 3m1r h ARG 17 Ca -0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 3m1r h ARG 17 Cb 1.19 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 3m1r h ARG 17 CO 0.56 0.32 0.00 -0.25 -0.00 0.00 0.00 179.97 180.60 3m1r n ASP 18 N -4.50 2.60 -4.56 0.08 10.43 -1.26 -4.85 116.55 114.50 3m1r n ASP 18 Ca 0.15 -1.96 -0.33 0.00 2.57 0.00 0.00 54.79 55.22 3m1r n ASP 18 Cb 0.50 -0.29 -0.11 0.00 1.84 0.00 0.00 41.12 43.05 3m1r n ASP 18 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3m1r s VAL 19 N -1.41 3.50 -0.30 2.53 1.01 -0.76 -5.10 120.40 119.87 3m1r s VAL 19 Ca 0.34 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3m1r s VAL 19 Cb 0.18 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 34.18 3m1r s VAL 19 CO 0.24 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.96 3m1r s THR 20 N -0.88 1.98 0.00 3.92 2.01 -1.26 -4.81 115.64 116.61 3m1r s THR 20 Ca 0.14 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.22 3m1r s THR 20 Cb -0.11 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.05 3m1r s THR 20 CO 0.04 -0.41 0.00 0.29 -0.69 0.00 0.00 174.62 173.84 3m1r n LYS 21 N 4.42 0.00 0.00 4.92 5.02 -1.26 -1.91 118.16 129.34 3m1r n LYS 21 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3m1r n LYS 21 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 3m1r n LYS 21 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m1r n SER 23 N 0.00 0.00 0.00 4.39 3.41 -0.92 -3.63 113.62 116.87 3m1r n SER 23 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3m1r n SER 23 Cb 0.00 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 3m1r n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3m1r n ASP 24 N 0.00 0.00 0.00 4.04 8.00 -1.26 -3.59 116.55 123.74 3m1r n ASP 24 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3m1r n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3m1r n ASP 24 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m1r n LEU 25 N -0.79 0.00 -4.70 0.64 4.32 -1.24 -5.04 117.00 110.18 3m1r n LEU 25 Ca 0.10 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.71 3m1r n LEU 25 Cb 0.04 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.78 3m1r n LEU 25 CO 0.07 0.00 0.09 -0.63 -1.22 0.00 0.00 177.39 175.70 3m1r s ILE 26 N -1.07 5.23 0.02 -0.08 1.01 -1.24 -0.29 121.20 124.77 3m1r s ILE 26 Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 60.65 61.45 3m1r s ILE 26 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3m1r s ILE 26 CO 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 174.94 175.06 3m1r s ALA 27 N 0.87 1.64 0.31 9.38 0.00 -0.17 -4.92 121.76 128.87 3m1r s ALA 27 Ca 0.20 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3m1r s ALA 27 Cb -0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.51 3m1r s ALA 27 CO 0.07 0.38 1.51 0.99 0.00 0.00 0.00 175.76 178.71 3m1r s THR 28 N -0.65 2.25 0.06 0.00 2.01 -1.26 -0.52 115.64 117.54 3m1r s THR 28 Ca 0.07 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 3m1r s THR 28 Cb -0.08 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 3m1r s THR 28 CO 0.01 0.04 1.31 0.86 -0.69 0.00 0.00 174.62 176.15 3m1r s TRP 29 N -0.38 3.23 -2.89 4.92 -0.00 -0.86 -4.80 118.94 118.16 3m1r s TRP 29 Ca 0.59 1.07 0.24 0.00 -0.00 0.00 0.00 56.10 57.99 3m1r s TRP 29 Cb -0.45 -3.57 0.24 0.00 -0.00 0.00 0.00 33.47 29.69 3m1r s TRP 29 CO 0.51 -1.93 1.29 -0.25 -0.00 0.00 0.00 176.95 176.57 3m1r n ASP 30 N 4.32 3.10 0.00 5.86 9.92 -1.26 -4.92 116.55 133.57 3m1r n ASP 30 Ca 0.11 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.37 3m1r n ASP 30 Cb 0.44 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 3m1r n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m1r n GLY 31 N 1.39 2.44 2.99 0.44 0.00 -1.26 -5.10 105.19 106.09 3m1r n GLY 31 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3m1r n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m1r n GLN 32 N -0.56 -1.61 -3.02 1.61 3.00 -1.26 -4.87 117.38 110.67 3m1r n GLN 32 Ca 0.00 -0.47 -0.40 0.00 -0.01 0.00 0.00 57.00 56.12 3m1r n GLN 32 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 30.24 28.83 3m1r n GLN 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3m1r s ASP 33 N -1.70 7.01 -0.26 1.08 -1.08 -1.26 -5.01 116.67 115.45 3m1r s ASP 33 Ca 0.32 1.22 -0.24 0.00 -0.52 0.00 0.00 52.55 53.33 3m1r s ASP 33 Cb -0.04 -2.42 -0.01 0.00 -1.46 0.00 0.00 42.92 38.99 3m1r s ASP 33 CO 0.34 -0.13 0.79 -0.63 0.52 0.00 0.00 175.17 176.07 3m1r s ILE 34 N 0.81 4.84 -0.36 4.11 1.01 -1.26 -5.01 121.20 125.35 3m1r s ILE 34 Ca 0.38 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.49 3m1r s ILE 34 Cb -0.18 -4.10 0.10 0.00 0.01 0.00 0.00 42.46 38.29 3m1r s ILE 34 CO 0.19 -0.10 0.09 -0.54 0.00 0.00 0.00 174.94 174.57 3m1r s LYS 35 N 2.83 1.39 0.00 2.79 1.02 -1.26 -4.03 119.74 122.47 3m1r s LYS 35 Ca 0.33 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.50 3m1r s LYS 35 Cb -0.15 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3m1r s LYS 35 CO 0.09 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 3m1r n GLY 36 N 4.22 0.20 3.77 -3.33 0.00 -0.05 -4.99 105.19 105.01 3m1r n GLY 36 Ca 0.03 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 3m1r n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m1r s PRO 37 N 0.00 4.15 -0.07 1.61 0.02 -1.26 -0.64 135.00 138.82 3m1r s PRO 37 Ca 0.00 1.84 -0.10 0.00 0.02 0.00 0.00 61.00 62.76 3m1r s PRO 37 Cb 0.00 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.79 3m1r s PRO 37 CO 0.00 -0.24 0.26 0.00 -0.33 0.00 0.00 177.00 176.69 3m1r s ALA 38 N -1.38 -0.64 0.39 -1.55 0.00 -1.01 -4.35 121.76 113.22 3m1r s ALA 38 Ca 0.55 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 3m1r s ALA 38 Cb -0.31 -0.25 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 3m1r s ALA 38 CO 0.39 -0.17 0.90 -0.51 0.00 0.00 0.00 175.76 176.37 3m1r s LEU 39 N -0.40 4.01 -0.27 0.00 1.43 0.05 -0.45 118.68 123.05 3m1r s LEU 39 Ca -0.05 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 3m1r s LEU 39 Cb -0.03 -4.37 0.10 0.00 0.03 0.00 0.00 46.19 41.92 3m1r s LEU 39 CO 0.01 -0.29 0.62 -0.51 0.23 0.00 0.00 176.35 176.42 3m1r s ILE 40 N -2.07 -0.46 0.14 -0.59 2.07 -0.60 -1.25 121.20 118.44 3m1r s ILE 40 Ca 0.59 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.75 3m1r s ILE 40 Cb -0.10 -0.93 -0.06 0.00 0.13 0.00 0.00 42.46 41.49 3m1r s ILE 40 CO 0.15 0.01 0.47 -0.83 -1.91 0.00 0.00 174.94 172.83 3m1r s GLY 41 N 2.21 2.34 -0.57 1.50 0.00 -0.14 -0.86 107.32 111.80 3m1r s GLY 41 Ca -0.08 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 44.37 3m1r s GLY 41 CO -0.18 -0.12 0.42 0.14 0.00 0.00 0.00 173.10 173.36 3m1r s VAL 42 N -1.55 1.71 -1.13 1.40 1.01 0.03 -1.01 120.40 120.86 3m1r s VAL 42 Ca 0.39 -3.51 -0.14 0.00 0.00 0.00 0.00 61.98 58.71 3m1r s VAL 42 Cb -0.13 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 3m1r s VAL 42 CO 0.20 -1.11 2.22 -0.81 0.00 0.00 0.00 175.10 175.60 3m1r n PRO 43 N 2.39 2.37 -4.53 2.72 -0.05 -1.26 -3.26 135.00 133.38 3m1r n PRO 43 Ca 0.24 -2.00 -0.33 0.00 -0.05 0.00 0.00 63.50 61.36 3m1r n PRO 43 Cb 0.41 -2.88 -0.16 0.00 -0.05 0.00 0.00 33.50 30.82 3m1r n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3m1r s LEU 44 N 1.00 2.10 0.00 1.53 2.96 -1.26 -4.70 118.68 120.31 3m1r s LEU 44 Ca 0.52 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3m1r s LEU 44 Cb 0.14 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3m1r s LEU 44 CO -0.00 0.06 0.00 -1.54 -1.32 0.00 0.00 176.35 173.54 3m1r n SER 45 N 4.21 0.00 0.24 3.68 3.41 -1.26 -0.35 113.62 123.55 3m1r n SER 45 Ca -0.20 -0.71 0.16 0.00 -0.26 0.00 0.00 58.87 57.87 3m1r n SER 45 Cb 0.51 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.20 3m1r n SER 45 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m1r h LYS 46 N 0.00 0.00 0.00 4.33 1.57 -1.93 -1.51 116.57 119.04 3m1r h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m1r h LYS 46 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3m1r h LYS 46 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3m1r n SER 47 N -2.76 0.00 -4.75 0.86 3.41 -1.26 -4.83 113.62 104.29 3m1r n SER 47 Ca -0.00 -0.83 -0.40 0.00 -0.26 0.00 0.00 58.87 57.38 3m1r n SER 47 Cb 0.20 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 3m1r n SER 47 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3m1r s SER 48 N -2.04 7.57 0.03 4.04 0.01 -0.57 -1.76 113.70 120.98 3m1r s SER 48 Ca 0.41 1.98 -0.25 0.00 1.31 0.00 0.00 55.95 59.41 3m1r s SER 48 Cb 0.19 -2.61 -0.18 0.00 0.21 0.00 0.00 66.02 63.64 3m1r s SER 48 CO 0.33 0.10 1.48 0.40 0.41 0.00 0.00 173.24 175.96 3m1r h ILE 49 N 3.09 1.16 -4.15 1.44 2.04 -1.89 -3.43 117.51 115.78 3m1r h ILE 49 Ca -0.45 -0.59 -0.50 0.00 1.00 0.00 0.00 64.86 64.31 3m1r h ILE 49 Cb 1.20 1.56 0.04 0.00 -0.74 0.00 0.00 36.82 38.88 3m1r h ILE 49 CO 0.68 0.15 0.34 -0.44 0.00 0.00 0.00 178.15 178.87 3m1r s SER 50 N -5.41 6.32 0.14 1.72 0.01 -1.26 -4.99 113.70 110.22 3m1r s SER 50 Ca -0.15 1.33 -0.32 0.00 1.31 0.00 0.00 55.95 58.12 3m1r s SER 50 Cb 0.04 -2.43 -0.12 0.00 0.21 0.00 0.00 66.02 63.72 3m1r s SER 50 CO 0.66 -0.74 1.74 1.57 0.41 0.00 0.00 173.24 176.87 3m1r n HIS 51 N -2.39 2.54 -3.78 2.43 -0.00 -1.26 -4.96 115.22 107.79 3m1r n HIS 51 Ca 0.05 0.03 -0.14 0.00 0.46 0.00 0.00 57.72 58.12 3m1r n HIS 51 Cb 0.54 -2.66 -0.15 0.00 -0.12 0.00 0.00 29.99 27.61 3m1r n HIS 51 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3m1r s SER 52 N 1.90 -0.02 -0.27 0.26 0.15 -1.26 -5.00 113.70 109.45 3m1r s SER 52 Ca 0.80 0.14 0.12 0.00 0.70 0.00 0.00 55.95 57.72 3m1r s SER 52 Cb -0.56 0.06 0.74 0.00 -1.71 0.00 0.00 66.02 64.55 3m1r s SER 52 CO 0.37 -0.11 1.72 0.61 1.20 0.00 0.00 173.24 177.03 3m1r n GLY 53 N 3.90 3.53 0.21 9.45 0.00 -1.26 -4.55 105.19 116.47 3m1r n GLY 53 Ca -0.23 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 44.94 3m1r n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h ALA 54 N 2.98 1.00 0.00 4.61 0.00 -1.90 0.43 119.26 126.38 3m1r h ALA 54 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m1r h ALA 54 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3m1r h ALA 54 CO 0.56 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.47 3m1r h SER 55 N 0.00 0.00 0.72 0.00 4.64 -1.80 -1.31 113.55 115.80 3m1r h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1r h SER 55 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3m1r h SER 55 CO 0.00 0.00 -0.37 0.49 -0.87 0.00 0.00 176.83 176.08 3m1r n PHE 56 N -2.87 0.11 -0.01 4.77 3.01 0.14 -4.38 117.46 118.23 3m1r n PHE 56 Ca -0.02 0.03 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 3m1r n PHE 56 Cb 0.10 -0.40 0.28 0.00 -0.01 0.00 0.00 39.48 39.45 3m1r n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m1r h ALA 57 N 2.91 1.33 -0.67 4.37 0.00 -1.44 -2.43 119.26 123.32 3m1r h ALA 57 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3m1r h ALA 57 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3m1r h ALA 57 CO 0.00 0.46 0.41 -1.35 0.00 0.00 0.00 179.25 178.77 3m1r h PRO 58 N 0.53 0.79 0.59 0.00 0.11 -1.75 0.17 132.00 132.44 3m1r h PRO 58 Ca 0.11 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3m1r h PRO 58 Cb 0.36 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3m1r h PRO 58 CO 0.01 0.52 -0.43 0.78 -0.21 0.00 0.00 178.00 178.67 3m1r h GLY 59 N 0.81 -1.12 1.16 -0.55 0.00 -1.77 -1.12 103.07 100.48 3m1r h GLY 59 Ca 0.27 0.49 -0.07 0.00 0.00 0.00 0.00 47.33 48.02 3m1r h GLY 59 CO -0.11 -0.38 0.10 -0.91 0.00 0.00 0.00 176.54 175.24 3m1r h THR 60 N -0.99 1.26 -0.61 4.70 1.35 -1.19 -0.16 112.91 117.26 3m1r h THR 60 Ca -0.07 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 3m1r h THR 60 Cb 0.83 0.66 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 3m1r h THR 60 CO 0.03 0.37 0.22 0.40 -0.25 0.00 0.00 175.52 176.29 3m1r h ILE 61 N 0.97 1.24 -0.64 6.82 2.04 -0.73 -0.21 117.51 126.99 3m1r h ILE 61 Ca 0.19 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3m1r h ILE 61 Cb 0.42 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3m1r h ILE 61 CO 0.01 0.30 0.34 0.03 0.00 0.00 0.00 178.15 178.83 3m1r h ARG 62 N 0.86 0.90 -0.41 2.37 3.08 -0.65 0.82 114.38 121.35 3m1r h ARG 62 Ca 0.20 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3m1r h ARG 62 Cb 0.24 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3m1r h ARG 62 CO -0.01 0.69 0.22 0.37 -1.07 0.00 0.00 179.97 180.17 3m1r h GLN 63 N 0.88 0.57 -0.51 0.04 4.15 -0.73 -0.79 115.11 118.72 3m1r h GLN 63 Ca 0.22 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 3m1r h GLN 63 Cb 0.06 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3m1r h GLN 63 CO -0.03 0.46 0.19 0.00 -1.93 0.00 0.00 178.83 177.51 3m1r h ALA 64 N 1.08 0.67 0.60 3.38 0.00 -0.61 -2.41 119.26 121.97 3m1r h ALA 64 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3m1r h ALA 64 Cb 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m1r h ALA 64 CO -0.02 0.30 -0.29 1.25 0.00 0.00 0.00 179.25 180.49 3m1r h LEU 65 N 0.69 -0.68 -1.80 0.00 5.85 -0.71 -2.88 115.31 115.79 3m1r h LEU 65 Ca 0.17 -0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.17 3m1r h LEU 65 Cb 0.23 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3m1r h LEU 65 CO -0.01 -0.43 0.72 0.11 -0.34 0.00 0.00 178.44 178.49 3m1r h LYS 66 N -0.88 0.13 -0.29 1.25 1.57 -1.07 0.18 116.57 117.46 3m1r h LYS 66 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3m1r h LYS 66 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3m1r h LYS 66 CO 0.13 0.08 0.00 0.72 -0.57 0.00 0.00 179.45 179.82 3m1r n HIS 67 N -4.35 0.38 -3.96 -1.35 8.25 -0.91 -2.17 115.22 111.11 3m1r n HIS 67 Ca 0.23 -0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.15 3m1r n HIS 67 Cb 1.02 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.08 3m1r n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3m1r s SER 68 N -1.19 6.18 0.47 0.41 0.01 0.64 -5.04 113.70 115.18 3m1r s SER 68 Ca 0.26 0.34 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 3m1r s SER 68 Cb 0.14 -1.93 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 3m1r s SER 68 CO 0.19 0.32 1.38 -0.24 0.41 0.00 0.00 173.24 175.31 3m1r n SER 69 N 1.43 3.02 -0.20 2.44 2.88 -1.26 -4.45 113.62 117.49 3m1r n SER 69 Ca -0.15 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 3m1r n SER 69 Cb 0.54 -1.58 0.25 0.00 -0.75 0.00 0.00 64.21 62.67 3m1r n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m1r n ALA 70 N -0.40 3.41 -2.66 -1.46 0.00 -0.81 -4.92 120.51 113.67 3m1r n ALA 70 Ca 0.07 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3m1r n ALA 70 Cb 0.42 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3m1r n ALA 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3m1r s TYR 71 N -2.66 3.37 -0.34 0.00 5.04 -1.26 -1.09 117.35 120.40 3m1r s TYR 71 Ca 0.19 1.36 -0.18 0.00 -2.44 0.00 0.00 57.07 56.00 3m1r s TYR 71 Cb 0.18 -3.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 3m1r s TYR 71 CO 0.60 -0.38 0.49 0.45 -1.34 0.00 0.00 175.55 175.37 3m1r s SER 72 N 1.21 6.31 0.26 4.32 0.15 -0.63 -4.95 113.70 120.38 3m1r s SER 72 Ca 0.41 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3m1r s SER 72 Cb -0.16 -2.26 0.35 0.00 -1.71 0.00 0.00 66.02 62.24 3m1r s SER 72 CO 0.09 -0.44 1.72 0.00 1.20 0.00 0.00 173.24 175.81 3m1r h ALA 73 N 8.41 1.06 0.00 5.45 0.00 -1.95 -0.54 119.26 131.70 3m1r h ALA 73 Ca -0.28 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3m1r h ALA 73 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3m1r h ALA 73 CO 0.76 0.57 0.00 1.49 0.00 0.00 0.00 179.25 182.07 3m1r h GLU 74 N 0.56 0.00 0.00 0.00 4.81 -1.94 -2.63 114.58 115.38 3m1r h GLU 74 Ca 0.09 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3m1r h GLU 74 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3m1r h GLU 74 CO 0.04 0.00 -1.86 -0.11 -0.73 0.00 0.00 179.01 176.36 3m1r n LEU 75 N -2.77 0.00 -0.46 1.64 7.94 -0.95 -4.98 117.00 117.42 3m1r n LEU 75 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3m1r n LEU 75 Cb 0.22 0.09 -0.03 0.00 0.53 0.00 0.00 43.42 44.23 3m1r n LEU 75 CO 0.22 0.09 -0.06 0.61 -1.11 0.00 0.00 177.39 177.15 3m1r n GLY 76 N 1.64 0.79 3.65 -3.96 0.00 -0.25 -4.98 105.19 102.08 3m1r n GLY 76 Ca -0.08 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3m1r n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3m1r s GLU 77 N -2.09 1.56 0.52 1.61 -1.05 -1.11 -5.02 118.70 113.13 3m1r s GLU 77 Ca 0.00 -1.01 -0.19 0.00 -0.15 0.00 0.00 54.97 53.62 3m1r s GLU 77 Cb 0.00 0.54 -0.07 0.00 -0.44 0.00 0.00 34.13 34.16 3m1r s GLU 77 CO 0.00 -0.68 1.07 -1.01 0.95 0.00 0.00 175.26 175.59 3m1r s HIS 78 N -3.93 2.90 -0.94 4.83 3.76 -1.26 -1.61 115.29 119.04 3m1r s HIS 78 Ca 0.13 1.56 0.27 0.00 -0.15 0.00 0.00 55.06 56.88 3m1r s HIS 78 Cb -0.03 -3.12 0.97 0.00 1.11 0.00 0.00 32.58 31.51 3m1r s HIS 78 CO 0.04 -1.09 1.77 1.33 -0.85 0.00 0.00 174.74 175.94 3m1r n VAL 79 N -1.22 0.12 -4.53 -0.90 0.24 -0.25 -4.58 118.33 107.20 3m1r n VAL 79 Ca 0.10 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.34 62.11 3m1r n VAL 79 Cb 0.52 -0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 32.39 3m1r n VAL 79 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3m1r s VAL 80 N -3.03 1.00 -0.06 3.34 1.01 -1.26 -4.63 120.40 116.76 3m1r s VAL 80 Ca 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3m1r s VAL 80 Cb 0.17 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 3m1r s VAL 80 CO 0.59 0.30 -0.02 -1.54 0.00 0.00 0.00 175.10 174.42 3m1r n SER 81 N 3.27 3.57 0.00 3.32 3.41 -1.26 -4.96 113.62 120.96 3m1r n SER 81 Ca -0.18 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3m1r n SER 81 Cb 0.54 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3m1r n SER 81 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3m1r n GLU 82 N -2.45 0.00 -3.98 4.33 0.28 -1.26 -5.09 120.64 112.46 3m1r n GLU 82 Ca -0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.80 3m1r n GLU 82 Cb 0.65 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.47 3m1r n GLU 82 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3m1r s LEU 83 N 0.00 0.39 -0.19 -1.84 0.05 -1.26 -5.01 118.68 110.83 3m1r s LEU 83 Ca 0.00 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.28 3m1r s LEU 83 Cb 0.00 1.69 0.04 0.00 -2.05 0.00 0.00 46.19 45.87 3m1r s LEU 83 CO 0.00 -1.10 -0.10 -0.22 -0.55 0.00 0.00 176.35 174.38 3m1r s LEU 84 N -3.01 2.07 0.12 1.48 2.96 0.60 -5.00 118.68 117.90 3m1r s LEU 84 Ca 0.21 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 3m1r s LEU 84 Cb -0.00 -1.16 -0.06 0.00 0.50 0.00 0.00 46.19 45.47 3m1r s LEU 84 CO 0.07 -0.14 1.04 -0.31 -1.32 0.00 0.00 176.35 175.69 3m1r s TYR 85 N 1.46 3.68 -0.55 5.38 2.02 -1.26 -1.00 117.35 127.07 3m1r s TYR 85 Ca -0.00 1.66 -0.17 0.00 -0.37 0.00 0.00 57.07 58.19 3m1r s TYR 85 Cb -0.16 -3.18 0.11 0.00 -0.40 0.00 0.00 41.96 38.33 3m1r s TYR 85 CO -0.08 -0.28 0.57 0.34 -1.57 0.00 0.00 175.55 174.53 3m1r s ASP 86 N 0.16 6.19 0.31 2.29 -1.08 0.33 -0.77 116.67 124.10 3m1r s ASP 86 Ca 0.50 -1.59 0.02 0.00 -0.52 0.00 0.00 52.55 50.95 3m1r s ASP 86 Cb -0.26 -2.24 0.56 0.00 -1.46 0.00 0.00 42.92 39.52 3m1r s ASP 86 CO 0.31 -0.94 1.91 -0.07 0.52 0.00 0.00 175.17 176.91 3m1r h LEU 87 N 9.30 0.87 0.00 -1.34 3.38 -1.48 -2.28 115.31 123.77 3m1r h LEU 87 Ca -0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3m1r h LEU 87 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3m1r h LEU 87 CO 1.05 0.55 0.00 0.61 0.09 0.00 0.00 178.44 180.74 3m1r n GLY 88 N -1.40 0.60 3.74 0.83 0.00 -1.26 -4.64 105.19 103.08 3m1r n GLY 88 Ca 0.14 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3m1r n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1r s ASP 89 N -4.00 5.54 0.12 1.61 1.01 -1.26 -0.97 116.67 118.72 3m1r s ASP 89 Ca 0.00 0.18 -0.30 0.00 0.71 0.00 0.00 52.55 53.14 3m1r s ASP 89 Cb 0.00 -1.60 -0.06 0.00 1.01 0.00 0.00 42.92 42.27 3m1r s ASP 89 CO 0.00 0.34 1.01 0.27 0.21 0.00 0.00 175.17 177.00 3m1r s ILE 90 N -1.02 4.34 0.07 0.77 -5.25 -0.18 -4.93 121.20 115.00 3m1r s ILE 90 Ca 0.17 1.93 -0.30 0.00 -0.99 0.00 0.00 60.65 61.45 3m1r s ILE 90 Cb -0.12 -4.23 -0.09 0.00 2.95 0.00 0.00 42.46 40.97 3m1r s ILE 90 CO 0.07 0.29 1.80 -0.62 -1.79 0.00 0.00 174.94 174.68 3m1r s ASP 91 N 0.08 6.51 -0.18 4.36 2.15 -1.26 -4.57 116.67 123.76 3m1r s ASP 91 Ca 0.48 2.60 -0.06 0.00 0.43 0.00 0.00 52.55 56.00 3m1r s ASP 91 Cb -0.25 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 3m1r s ASP 91 CO 0.31 -0.98 0.03 -0.63 -0.17 0.00 0.00 175.17 173.73 3m1r s ILE 92 N 3.31 4.44 0.27 4.11 -1.09 -1.26 -4.86 121.20 126.13 3m1r s ILE 92 Ca 0.80 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.77 3m1r s ILE 92 Cb -0.42 -2.99 -0.10 0.00 -1.58 0.00 0.00 42.46 37.38 3m1r s ILE 92 CO 0.36 0.47 1.30 -2.28 -1.23 0.00 0.00 174.94 173.55 3m1r s HIS 93 N 0.42 3.18 0.47 3.97 2.46 -1.26 -4.91 115.29 119.61 3m1r s HIS 93 Ca 0.01 1.34 0.12 0.00 0.47 0.00 0.00 55.06 57.00 3m1r s HIS 93 Cb -0.13 -3.62 1.07 0.00 -0.13 0.00 0.00 32.58 29.77 3m1r s HIS 93 CO 0.01 -1.80 2.09 -0.39 -2.47 0.00 0.00 174.74 172.19 3m1r h VAL 94 N 3.34 1.06 0.00 0.89 -1.51 -2.01 -3.36 116.25 114.65 3m1r h VAL 94 Ca -0.47 -0.14 -0.11 0.00 -1.23 0.00 0.00 66.70 64.74 3m1r h VAL 94 Cb 1.22 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 3m1r h VAL 94 CO 0.71 0.06 -1.42 0.41 -1.23 0.00 0.00 177.57 176.10 3m1r n THR 95 N -4.49 0.42 -3.47 7.19 -1.04 -1.26 -4.97 114.28 106.66 3m1r n THR 95 Ca -0.01 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 3m1r n THR 95 Cb 0.09 -0.79 -0.07 0.00 -1.82 0.00 0.00 70.33 67.75 3m1r n THR 95 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m1r s ASP 96 N -4.48 5.96 0.18 8.00 -1.08 -1.26 -4.93 116.67 119.06 3m1r s ASP 96 Ca -0.08 -2.12 -0.13 0.00 -0.52 0.00 0.00 52.55 49.69 3m1r s ASP 96 Cb 0.02 -2.08 0.08 0.00 -1.46 0.00 0.00 42.92 39.49 3m1r s ASP 96 CO 0.19 -0.68 1.83 0.40 0.52 0.00 0.00 175.17 177.43 3m1r h ILE 97 N 5.74 1.17 -0.44 4.11 5.03 -1.93 -1.23 117.51 129.95 3m1r h ILE 97 Ca -0.16 -0.35 -0.06 0.00 -0.12 0.00 0.00 64.86 64.17 3m1r h ILE 97 Cb 1.06 0.35 -0.02 0.00 -3.03 0.00 0.00 36.82 35.18 3m1r h ILE 97 CO 0.87 0.17 0.03 0.58 -0.68 0.00 0.00 178.15 179.12 3m1r h VAL 98 N 0.79 1.25 -0.55 1.67 2.07 -1.97 -0.34 116.25 119.18 3m1r h VAL 98 Ca 0.21 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3m1r h VAL 98 Cb -0.04 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3m1r h VAL 98 CO -0.04 0.34 0.29 0.50 0.02 0.00 0.00 177.57 178.68 3m1r h LYS 99 N 0.61 0.55 -0.88 1.57 3.64 -1.95 -0.76 116.57 119.35 3m1r h LYS 99 Ca 0.13 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3m1r h LYS 99 Cb 0.44 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3m1r h LYS 99 CO 0.02 0.36 0.57 0.77 -2.27 0.00 0.00 179.45 178.90 3m1r h SER 100 N 0.56 0.84 -0.27 4.20 0.02 -0.51 0.18 113.55 118.56 3m1r h SER 100 Ca 0.24 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3m1r h SER 100 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3m1r h SER 100 CO -0.15 0.52 -0.14 0.45 -1.14 0.00 0.00 176.83 176.37 3m1r h HIS 101 N 0.94 0.67 -0.56 3.45 3.86 -0.43 -1.77 115.15 121.31 3m1r h HIS 101 Ca 0.39 -0.17 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 3m1r h HIS 101 Cb 0.29 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3m1r h HIS 101 CO -0.00 0.83 0.27 0.45 0.86 0.00 0.00 177.93 180.34 3m1r h HIS 102 N 0.31 0.49 -0.56 2.45 -0.00 -0.32 -0.14 115.15 117.39 3m1r h HIS 102 Ca 0.06 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.55 3m1r h HIS 102 Cb 0.66 -0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 27.86 3m1r h HIS 102 CO 0.06 0.21 0.14 0.45 -0.00 0.00 0.00 177.93 178.79 3m1r h HIS 103 N 0.51 0.22 0.17 2.45 3.86 -0.42 0.12 115.15 122.06 3m1r h HIS 103 Ca 0.26 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3m1r h HIS 103 Cb 0.20 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3m1r h HIS 103 CO -0.11 0.00 -0.08 0.82 0.86 0.00 0.00 177.93 179.42 3m1r h ILE 104 N 0.28 0.92 -0.75 2.45 2.04 -0.42 0.39 117.51 122.42 3m1r h ILE 104 Ca 0.29 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3m1r h ILE 104 Cb 0.40 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3m1r h ILE 104 CO -0.35 0.10 0.45 0.15 0.00 0.00 0.00 178.15 178.50 3m1r h PHE 105 N -0.44 0.83 -0.02 1.37 3.04 -0.73 -3.01 116.94 117.98 3m1r h PHE 105 Ca -0.02 0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.69 3m1r h PHE 105 Cb 0.35 -0.26 0.02 0.00 2.56 0.00 0.00 35.95 38.61 3m1r h PHE 105 CO -0.00 0.43 -1.01 1.96 -2.02 0.00 0.00 178.31 177.67 3m1r h GLN 106 N 0.84 0.72 -0.16 1.11 4.20 -0.86 0.38 115.11 121.34 3m1r h GLN 106 Ca 0.33 -0.75 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3m1r h GLN 106 Cb 0.14 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3m1r h GLN 106 CO -0.16 1.32 0.00 2.41 -0.67 0.00 0.00 178.83 181.73 3m1r n THR 107 N -3.87 0.00 0.00 -0.54 -1.04 0.11 -1.00 114.28 107.95 3m1r n THR 107 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3m1r n THR 107 Cb 0.86 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 3m1r n THR 107 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3m1r n HIS 109 N 0.32 0.00 -0.02 -1.42 -0.00 0.13 -0.94 115.22 113.30 3m1r n HIS 109 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3m1r n HIS 109 Cb 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.98 3m1r n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3m1r h ALA 110 N 0.00 0.16 -0.03 1.57 0.00 -1.29 -2.48 119.26 117.18 3m1r h ALA 110 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m1r h ALA 110 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3m1r h ALA 110 CO 0.00 -0.31 0.00 -0.07 0.00 0.00 0.00 179.25 178.87 3m1r h LEU 111 N 0.12 0.05 -1.61 0.00 4.07 -1.27 -1.78 115.31 114.88 3m1r h LEU 111 Ca 0.04 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 3m1r h LEU 111 Cb 0.06 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3m1r h LEU 111 CO -0.01 0.30 0.06 -0.07 -1.08 0.00 0.00 178.44 177.64 3m1r h LEU 112 N -0.21 0.28 -0.11 1.67 3.38 -1.80 -0.21 115.31 118.31 3m1r h LEU 112 Ca 0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3m1r h LEU 112 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3m1r h LEU 112 CO 0.00 0.28 -0.27 0.28 0.09 0.00 0.00 178.44 178.82 3m1r h SER 113 N 0.31 0.42 1.33 -0.43 0.02 -1.25 -3.23 113.55 110.72 3m1r h SER 113 Ca 0.08 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3m1r h SER 113 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3m1r h SER 113 CO -0.00 0.93 -0.02 0.47 -1.14 0.00 0.00 176.83 177.07 3m1r n ASP 114 N -4.45 0.60 -3.56 3.07 8.00 -0.69 -4.22 116.55 115.30 3m1r n ASP 114 Ca -0.07 0.54 -0.28 0.00 0.71 0.00 0.00 54.79 55.69 3m1r n ASP 114 Cb 0.46 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 3m1r n ASP 114 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3m1r s HIS 115 N -3.07 1.71 0.60 1.24 3.76 -0.12 -4.96 115.29 114.45 3m1r s HIS 115 Ca 0.11 -2.46 0.29 0.00 -0.15 0.00 0.00 55.06 52.85 3m1r s HIS 115 Cb 0.14 -1.46 1.59 0.00 1.11 0.00 0.00 32.58 33.96 3m1r s HIS 115 CO 0.58 -0.76 1.99 -1.35 -0.85 0.00 0.00 174.74 174.35 3m1r h PRO 116 N 5.96 0.00 -0.62 8.40 0.11 -1.73 -1.16 132.00 142.97 3m1r h PRO 116 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3m1r h PRO 116 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3m1r h PRO 116 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 3m1r n ASP 117 N -3.60 3.74 -4.70 -2.05 10.43 -1.26 -4.92 116.55 114.20 3m1r n ASP 117 Ca 0.04 -2.24 -0.42 0.00 2.57 0.00 0.00 54.79 54.74 3m1r n ASP 117 Cb 0.48 -0.48 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3m1r n ASP 117 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3m1r s TRP 118 N -1.58 3.60 -0.41 1.24 -0.00 -0.44 -0.87 118.94 120.48 3m1r s TRP 118 Ca 0.42 1.66 -0.05 0.00 -0.00 0.00 0.00 56.10 58.12 3m1r s TRP 118 Cb 0.25 -3.15 0.10 0.00 -0.00 0.00 0.00 33.47 30.67 3m1r s TRP 118 CO 0.23 -0.10 0.22 0.08 -0.00 0.00 0.00 176.95 177.38 3m1r s VAL 119 N 1.42 3.61 0.21 5.86 1.01 0.19 -4.95 120.40 127.76 3m1r s VAL 119 Ca 0.50 -1.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.34 3m1r s VAL 119 Cb -0.20 -3.37 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 3m1r s VAL 119 CO 0.24 -0.62 1.64 -2.65 0.00 0.00 0.00 175.10 173.71 3m1r n PRO 120 N 4.72 2.54 -3.67 2.72 -0.02 -1.25 -2.40 135.00 137.64 3m1r n PRO 120 Ca -0.06 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.96 3m1r n PRO 120 Cb 0.42 -2.71 -0.09 0.00 -0.02 0.00 0.00 33.50 31.09 3m1r n PRO 120 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m1r s LEU 121 N 0.71 5.45 -0.05 2.45 1.02 0.40 -1.89 118.68 126.77 3m1r s LEU 121 Ca 0.73 -2.64 -0.18 0.00 0.02 0.00 0.00 54.13 52.07 3m1r s LEU 121 Cb -0.56 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 3m1r s LEU 121 CO 0.38 -0.45 0.49 -0.63 0.02 0.00 0.00 176.35 176.16 3m1r s ILE 122 N 0.26 5.06 -0.31 -0.59 1.01 -0.27 -1.55 121.20 124.82 3m1r s ILE 122 Ca 0.15 1.00 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 3m1r s ILE 122 Cb -0.20 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.49 3m1r s ILE 122 CO -0.04 0.42 0.04 -0.76 0.00 0.00 0.00 174.94 174.61 3m1r s LEU 123 N -0.06 3.94 1.00 2.97 1.43 -0.04 -1.62 118.68 126.30 3m1r s LEU 123 Ca 0.27 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 3m1r s LEU 123 Cb -0.16 -1.79 0.19 0.00 0.03 0.00 0.00 46.19 44.45 3m1r s LEU 123 CO 0.13 -0.25 1.13 -0.83 0.23 0.00 0.00 176.35 176.76 3m1r s GLY 124 N 1.36 1.58 0.00 -3.19 0.00 0.61 -0.79 107.32 106.89 3m1r s GLY 124 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3m1r s GLY 124 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.77 3m1r n GLY 125 N -1.69 -0.76 2.55 0.20 0.00 -0.60 -3.35 105.19 101.55 3m1r n GLY 125 Ca 0.08 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 3m1r n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m1r n ASP 126 N -0.93 0.37 0.00 1.61 5.68 0.52 -1.74 116.55 122.06 3m1r n ASP 126 Ca 0.00 -1.48 0.13 0.00 -0.50 0.00 0.00 54.79 52.94 3m1r n ASP 126 Cb 0.00 -0.58 0.59 0.00 -1.14 0.00 0.00 41.12 39.99 3m1r n ASP 126 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3m1r n ASN 127 N -3.34 0.00 0.29 -1.12 4.05 -1.26 -3.13 115.26 110.75 3m1r n ASN 127 Ca 0.11 0.41 0.17 0.00 0.45 0.00 0.00 54.58 55.72 3m1r n ASN 127 Cb 0.38 -0.47 0.83 0.00 1.23 0.00 0.00 39.78 41.75 3m1r n ASN 127 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 3m1r h SER 128 N 0.00 0.00 0.04 1.20 4.64 -1.78 -2.55 113.55 115.10 3m1r h SER 128 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3m1r h SER 128 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3m1r h SER 128 CO 0.00 0.06 -0.09 0.16 -0.87 0.00 0.00 176.83 176.08 3m1r h ILE 129 N 0.00 1.13 -1.05 0.95 3.07 -1.91 -3.22 117.51 116.49 3m1r h ILE 129 Ca -0.00 -0.57 0.28 0.00 1.55 0.00 0.00 64.86 66.12 3m1r h ILE 129 Cb 0.32 1.16 -0.11 0.00 -0.27 0.00 0.00 36.82 37.92 3m1r h ILE 129 CO 0.01 0.18 0.65 0.28 -1.05 0.00 0.00 178.15 178.21 3m1r h SER 130 N 0.15 0.52 0.11 2.16 0.02 -1.72 -1.01 113.55 113.78 3m1r h SER 130 Ca 0.03 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3m1r h SER 130 Cb 0.27 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3m1r h SER 130 CO 0.01 0.05 -0.21 0.22 -1.14 0.00 0.00 176.83 175.76 3m1r h TYR 131 N 0.43 -0.56 -0.05 3.45 3.20 -1.79 0.50 116.97 122.14 3m1r h TYR 131 Ca 0.65 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.36 3m1r h TYR 131 Cb 1.52 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 3m1r h TYR 131 CO -0.00 -0.31 -0.70 0.77 -1.64 0.00 0.00 178.16 176.28 3m1r h SER 132 N -0.40 0.29 -0.06 -2.11 0.02 -1.45 -1.80 113.55 108.04 3m1r h SER 132 Ca 0.03 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3m1r h SER 132 Cb 0.42 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3m1r h SER 132 CO -0.12 0.90 -0.07 0.71 -1.14 0.00 0.00 176.83 177.11 3m1r h THR 133 N 0.17 1.38 -0.29 -2.27 1.35 -1.18 -2.38 112.91 109.70 3m1r h THR 133 Ca -0.02 -1.26 -0.13 0.00 -0.55 0.00 0.00 66.41 64.46 3m1r h THR 133 Cb 1.25 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 3m1r h THR 133 CO 0.11 0.35 -0.34 0.40 -0.25 0.00 0.00 175.52 175.78 3m1r h ILE 134 N -0.29 1.29 -0.52 6.82 2.04 -0.94 -1.87 117.51 124.04 3m1r h ILE 134 Ca 0.01 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 3m1r h ILE 134 Cb 0.59 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3m1r h ILE 134 CO 0.02 0.48 0.31 0.50 0.00 0.00 0.00 178.15 179.46 3m1r h LYS 135 N 0.54 0.71 -0.70 2.37 3.64 -1.38 0.42 116.57 122.18 3m1r h LYS 135 Ca 0.06 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3m1r h LYS 135 Cb 0.85 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 3m1r h LYS 135 CO 0.07 0.52 0.41 0.00 -2.27 0.00 0.00 179.45 178.18 3m1r h ALA 136 N 1.15 0.93 0.00 5.00 0.00 -1.16 -0.79 119.26 124.39 3m1r h ALA 136 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3m1r h ALA 136 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3m1r h ALA 136 CO -0.03 0.12 -0.00 0.82 0.00 0.00 0.00 179.25 180.15 3m1r h ILE 137 N 0.76 1.16 -0.48 0.00 1.08 -0.69 -1.78 117.51 117.57 3m1r h ILE 137 Ca 0.30 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3m1r h ILE 137 Cb 0.14 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 3m1r h ILE 137 CO -0.16 0.13 0.31 0.00 -0.69 0.00 0.00 178.15 177.74 3m1r h ALA 138 N 0.78 0.61 0.00 1.87 0.00 0.08 0.38 119.26 122.98 3m1r h ALA 138 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m1r h ALA 138 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m1r h ALA 138 CO 0.00 0.04 -0.21 1.96 0.00 0.00 0.00 179.25 181.04 3m1r h GLN 139 N 0.63 0.00 0.02 0.00 4.20 -1.20 -1.10 115.11 117.67 3m1r h GLN 139 Ca 0.18 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.53 3m1r h GLN 139 Cb -0.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.67 3m1r h GLN 139 CO -0.05 0.00 -2.24 -2.37 -0.67 0.00 0.00 178.83 173.50 3m1r n THR 140 N -2.24 1.51 -0.08 -0.54 5.66 -0.67 -4.75 114.28 113.17 3m1r n THR 140 Ca 0.05 -0.74 -0.12 0.00 -3.05 0.00 0.00 64.05 60.19 3m1r n THR 140 Cb 0.44 -1.02 -0.07 0.00 -1.55 0.00 0.00 70.33 68.13 3m1r n THR 140 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3m1r n LYS 141 N -3.05 0.39 0.00 1.09 4.76 0.13 -4.97 118.16 116.51 3m1r n LYS 141 Ca -0.34 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3m1r n LYS 141 Cb 1.08 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 3m1r n LYS 141 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m1r n GLY 142 N 2.66 0.70 3.67 0.72 0.00 -0.42 -4.99 105.19 107.54 3m1r n GLY 142 Ca -0.29 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3m1r n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m1r s THR 143 N -2.57 2.94 -0.06 2.61 2.01 -1.26 -4.39 115.64 114.92 3m1r s THR 143 Ca 0.00 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.24 3m1r s THR 143 Cb 0.00 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 3m1r s THR 143 CO 0.00 -0.01 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.83 3m1r s THR 144 N 3.56 1.66 0.10 -0.82 2.01 -1.26 -0.97 115.64 119.92 3m1r s THR 144 Ca 0.82 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 3m1r s THR 144 Cb -0.42 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.59 3m1r s THR 144 CO 0.37 0.47 0.61 0.00 -0.69 0.00 0.00 174.62 175.38 3m1r s ALA 145 N 0.12 3.55 -0.19 7.40 0.00 0.84 -4.80 121.76 128.69 3m1r s ALA 145 Ca -0.08 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 3m1r s ALA 145 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.29 3m1r s ALA 145 CO 0.04 0.38 -0.15 0.08 0.00 0.00 0.00 175.76 176.11 3m1r s VAL 146 N -1.16 2.51 -0.45 0.00 1.01 0.20 -0.86 120.40 121.65 3m1r s VAL 146 Ca 0.32 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3m1r s VAL 146 Cb -0.20 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.17 3m1r s VAL 146 CO 0.20 0.50 0.34 -0.63 0.00 0.00 0.00 175.10 175.52 3m1r s ILE 147 N 1.25 4.94 -0.24 2.22 1.01 -0.73 0.14 121.20 129.79 3m1r s ILE 147 Ca 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 3m1r s ILE 147 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3m1r s ILE 147 CO -0.08 -0.52 0.07 0.00 0.00 0.00 0.00 174.94 174.41 3m1r s GLN 148 N 1.58 3.69 -0.19 2.79 -2.07 0.17 -0.76 119.66 124.87 3m1r s GLN 148 Ca 0.04 -0.47 -0.26 0.00 -1.82 0.00 0.00 55.36 52.85 3m1r s GLN 148 Cb -0.23 -3.31 -0.01 0.00 -1.09 0.00 0.00 33.01 28.37 3m1r s GLN 148 CO 0.06 -0.14 0.86 -0.06 -1.32 0.00 0.00 175.29 174.69 3m1r s PHE 149 N 1.47 3.39 -0.29 9.60 0.08 0.14 -0.88 117.98 131.49 3m1r s PHE 149 Ca 0.06 1.26 -0.22 0.00 0.12 0.00 0.00 56.93 58.15 3m1r s PHE 149 Cb -0.15 -3.06 0.14 0.00 -0.57 0.00 0.00 43.02 39.38 3m1r s PHE 149 CO 0.04 -0.31 1.09 0.34 -0.10 0.00 0.00 175.22 176.28 3m1r s ASP 150 N 1.21 -0.39 0.42 1.36 -1.08 0.07 -1.25 116.67 116.99 3m1r s ASP 150 Ca 0.38 0.72 0.22 0.00 -0.52 0.00 0.00 52.55 53.35 3m1r s ASP 150 Cb -0.16 0.85 0.86 0.00 -1.46 0.00 0.00 42.92 43.01 3m1r s ASP 150 CO 0.11 -0.12 1.81 0.00 0.52 0.00 0.00 175.17 177.48 3m1r h ALA 151 N 4.55 1.05 -3.38 3.66 0.00 -1.77 -2.54 119.26 120.82 3m1r h ALA 151 Ca -0.28 -0.26 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 3m1r h ALA 151 Cb 1.18 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 3m1r h ALA 151 CO 0.14 0.36 -0.74 -1.01 0.00 0.00 0.00 179.25 178.00 3m1r s HIS 152 N -3.70 2.68 0.27 0.00 3.76 -1.26 -1.58 115.29 115.46 3m1r s HIS 152 Ca -0.00 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 54.75 3m1r s HIS 152 Cb 0.11 -1.37 0.37 0.00 1.11 0.00 0.00 32.58 32.79 3m1r s HIS 152 CO 0.66 0.45 1.68 0.45 -0.85 0.00 0.00 174.74 177.12 3m1r h HIS 153 N 3.37 0.48 -5.85 1.40 3.86 -1.89 -3.48 115.15 113.05 3m1r h HIS 153 Ca -0.48 -0.12 -0.39 0.00 -1.16 0.00 0.00 60.37 58.22 3m1r h HIS 153 Cb 1.18 -0.11 0.13 0.00 1.06 0.00 0.00 27.41 29.67 3m1r h HIS 153 CO 0.62 0.72 -0.72 -0.25 0.86 0.00 0.00 177.93 179.16 3m1r n ASP 154 N -4.06 -4.84 -1.08 2.45 8.00 -1.26 -4.82 116.55 110.94 3m1r n ASP 154 Ca -0.01 -0.60 -0.04 0.00 0.71 0.00 0.00 54.79 54.86 3m1r n ASP 154 Cb 0.46 -4.92 0.18 0.00 -0.02 0.00 0.00 41.12 36.82 3m1r n ASP 154 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3m1r n VAL 155 N -4.71 2.44 -1.76 2.53 0.24 -1.16 -1.94 118.33 113.97 3m1r n VAL 155 Ca -0.08 -3.18 -0.40 0.00 -2.04 0.00 0.00 64.34 58.63 3m1r n VAL 155 Cb 0.59 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 3m1r n VAL 155 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3m1r n ARG 156 N -1.06 2.36 -1.13 7.34 1.74 -0.87 -4.62 116.66 120.42 3m1r n ARG 156 Ca 0.30 0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 57.87 3m1r n ARG 156 Cb 0.87 -2.63 0.12 0.00 -1.02 0.00 0.00 32.46 29.80 3m1r n ARG 156 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3m1r n ASN 157 N 0.02 0.82 0.02 0.55 0.23 -1.26 -4.37 115.26 111.27 3m1r n ASN 157 Ca 0.04 0.59 0.11 0.00 -0.53 0.00 0.00 54.58 54.79 3m1r n ASN 157 Cb 0.41 -1.48 -0.03 0.00 -2.08 0.00 0.00 39.78 36.60 3m1r n ASN 157 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3m1r n THR 158 N -3.20 0.15 0.19 5.53 -1.04 -1.26 -4.39 114.28 110.26 3m1r n THR 158 Ca 0.13 -0.27 0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3m1r n THR 158 Cb 0.50 0.24 0.29 0.00 -1.82 0.00 0.00 70.33 69.54 3m1r n THR 158 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3m1r h GLU 159 N 0.00 0.00 0.21 -2.82 5.08 -1.92 -1.24 114.58 113.89 3m1r h GLU 159 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3m1r h GLU 159 Cb 0.76 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.05 3m1r h GLU 159 CO 0.00 0.33 -1.40 -0.44 -1.00 0.00 0.00 179.01 176.50 3m1r h ASP 160 N 0.00 0.81 0.00 1.42 3.32 -1.99 -3.40 116.42 116.58 3m1r h ASP 160 Ca -0.00 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3m1r h ASP 160 Cb 0.98 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3m1r h ASP 160 CO 0.04 1.65 -0.05 0.61 -1.72 0.00 0.00 179.24 179.77 3m1r n GLY 161 N 1.61 -1.19 7.00 2.75 0.00 -1.25 -5.14 105.19 108.97 3m1r n GLY 161 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3m1r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 162 N -0.15 -1.09 2.87 -0.02 0.00 -0.47 -4.43 105.19 101.91 3m1r n GLY 162 Ca 0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3m1r n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m1r n PRO 163 N -0.02 2.47 -1.84 1.61 -0.05 -1.26 -4.70 135.00 131.19 3m1r n PRO 163 Ca 0.00 -2.41 -0.29 0.00 -0.05 0.00 0.00 63.50 60.75 3m1r n PRO 163 Cb 0.00 -3.20 0.13 0.00 -0.05 0.00 0.00 33.50 30.39 3m1r n PRO 163 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3m1r s THR 164 N 3.83 1.99 0.42 0.52 -4.23 -1.26 -4.91 115.64 111.99 3m1r s THR 164 Ca 0.50 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.39 3m1r s THR 164 Cb 0.14 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.40 3m1r s THR 164 CO -0.02 0.00 2.17 -0.55 -0.54 0.00 0.00 174.62 175.67 3m1r h ASN 165 N -1.35 0.00 1.81 3.99 -1.07 -1.68 -2.05 115.58 115.23 3m1r h ASN 165 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.90 3m1r h ASN 165 Cb 1.30 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.55 3m1r h ASN 165 CO 0.55 0.00 -0.03 1.23 0.07 0.00 0.00 177.43 179.25 3m1r h GLY 166 N 0.00 0.00 -0.44 9.14 0.00 -1.92 -3.37 103.07 106.48 3m1r h GLY 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m1r h GLY 166 CO 0.00 0.00 -0.52 -1.30 0.00 0.00 0.00 176.54 174.72 3m1r n THR 167 N -3.11 0.00 -0.33 4.70 -2.24 -0.77 -2.04 114.28 110.48 3m1r n THR 167 Ca 0.03 -0.17 0.06 0.00 -2.27 0.00 0.00 64.05 61.70 3m1r n THR 167 Cb 0.51 0.96 0.24 0.00 -2.10 0.00 0.00 70.33 69.94 3m1r n THR 167 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3m1r h PRO 168 N 1.63 0.98 0.00 -0.78 0.13 -1.70 -1.77 132.00 130.49 3m1r h PRO 168 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3m1r h PRO 168 Cb 0.64 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.55 3m1r h PRO 168 CO 0.00 0.65 -0.18 0.74 -0.23 0.00 0.00 178.00 178.98 3m1r h PHE 169 N 1.01 0.00 0.88 1.56 -1.00 -1.67 -0.33 116.94 117.39 3m1r h PHE 169 Ca 0.44 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.18 3m1r h PHE 169 Cb 0.35 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.92 3m1r h PHE 169 CO -0.00 0.00 -0.42 -0.09 -1.61 0.00 0.00 178.31 176.19 3m1r h ARG 170 N 0.00 -1.13 -0.42 1.51 9.65 -1.35 -1.44 114.38 121.19 3m1r h ARG 170 Ca 0.00 0.08 0.08 0.00 -1.10 0.00 0.00 59.98 59.04 3m1r h ARG 170 Cb 0.91 0.26 -0.08 0.00 -1.39 0.00 0.00 29.97 29.67 3m1r h ARG 170 CO 0.00 -0.76 -0.08 0.00 2.80 0.00 0.00 179.97 181.93 3m1r h ARG 171 N -1.27 0.02 -0.43 0.20 3.08 -1.28 0.40 114.38 115.11 3m1r h ARG 171 Ca -0.12 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3m1r h ARG 171 Cb 0.90 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 3m1r h ARG 171 CO 0.20 0.02 0.22 -0.07 -1.07 0.00 0.00 179.97 179.26 3m1r h LEU 172 N 0.02 0.32 -0.06 3.04 4.07 -1.12 -2.04 115.31 119.54 3m1r h LEU 172 Ca 0.20 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.07 3m1r h LEU 172 Cb 0.31 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.02 3m1r h LEU 172 CO -0.41 0.23 -0.40 -0.07 -1.08 0.00 0.00 178.44 176.70 3m1r h LEU 173 N 0.43 0.47 -0.90 1.67 4.07 -0.63 0.00 115.31 120.43 3m1r h LEU 173 Ca 0.18 -0.67 0.03 0.00 0.08 0.00 0.00 57.88 57.51 3m1r h LEU 173 Cb 0.09 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 3m1r h LEU 173 CO -0.13 1.06 0.59 0.44 -1.08 0.00 0.00 178.44 179.32 3m1r h ASP 174 N -0.09 0.98 -0.23 -0.43 5.19 -0.18 -0.61 116.42 121.05 3m1r h ASP 174 Ca -0.03 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3m1r h ASP 174 Cb 1.07 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3m1r h ASP 174 CO 0.08 0.68 0.00 -0.62 -3.12 0.00 0.00 179.24 176.26 3m1r n GLU 175 N -4.51 1.86 -3.91 3.56 1.02 -0.77 -4.88 120.64 113.00 3m1r n GLU 175 Ca 0.11 -0.96 -0.31 0.00 -0.02 0.00 0.00 57.16 55.98 3m1r n GLU 175 Cb 0.08 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 3m1r n GLU 175 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m1r n GLU 176 N 0.22 -3.27 0.17 3.49 1.02 -0.24 -4.81 120.64 117.23 3m1r n GLU 176 Ca 0.09 0.39 0.03 0.00 -0.02 0.00 0.00 57.16 57.65 3m1r n GLU 176 Cb 0.35 -5.12 0.25 0.00 -0.02 0.00 0.00 31.44 26.90 3m1r n GLU 176 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3m1r h ILE 177 N -1.30 1.04 -4.04 -3.67 1.08 -1.22 -3.46 117.51 105.94 3m1r h ILE 177 Ca -0.52 -1.81 -0.13 0.00 -0.39 0.00 0.00 64.86 62.01 3m1r h ILE 177 Cb 1.34 2.07 -0.13 0.00 -3.07 0.00 0.00 36.82 37.03 3m1r h ILE 177 CO 0.68 0.46 -0.39 0.27 -0.69 0.00 0.00 178.15 178.48 3m1r s ILE 178 N -3.50 0.06 -0.06 -0.67 -4.36 -1.22 -4.92 121.20 106.53 3m1r s ILE 178 Ca 0.00 -1.56 -0.04 0.00 -0.26 0.00 0.00 60.65 58.79 3m1r s ILE 178 Cb 0.11 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 3m1r s ILE 178 CO 0.71 -0.25 0.13 -1.61 0.24 0.00 0.00 174.94 174.16 3m1r s GLU 179 N -4.01 3.33 0.21 0.37 8.01 -1.26 -4.63 118.70 120.72 3m1r s GLU 179 Ca 0.22 -0.27 -0.17 0.00 0.01 0.00 0.00 54.97 54.76 3m1r s GLU 179 Cb 0.04 -3.07 0.21 0.00 -4.31 0.00 0.00 34.13 27.01 3m1r s GLU 179 CO 0.03 0.72 1.59 0.78 0.01 0.00 0.00 175.26 178.39 3m1r h GLY 180 N 4.50 0.17 1.55 -1.39 0.00 -1.87 0.28 103.07 106.31 3m1r h GLY 180 Ca -0.52 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3m1r h GLY 180 CO 0.62 -0.24 0.00 -1.06 0.00 0.00 0.00 176.54 175.86 3m1r n GLN 181 N -5.47 0.13 -0.01 4.80 3.00 -1.12 0.01 117.38 118.73 3m1r n GLN 181 Ca 0.07 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 3m1r n GLN 181 Cb 0.37 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.38 3m1r n GLN 181 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3m1r n HIS 182 N -1.27 0.02 -3.68 1.08 8.25 0.99 -4.80 115.22 115.80 3m1r n HIS 182 Ca 0.04 -0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 3m1r n HIS 182 Cb 0.07 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 3m1r n HIS 182 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3m1r s LEU 183 N -1.98 3.93 -0.29 2.41 0.20 0.10 0.60 118.68 123.65 3m1r s LEU 183 Ca 0.32 0.00 -0.04 0.00 0.69 0.00 0.00 54.13 55.10 3m1r s LEU 183 Cb 0.20 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.92 3m1r s LEU 183 CO 0.31 0.01 0.02 -0.63 -0.29 0.00 0.00 176.35 175.78 3m1r s ILE 184 N 1.37 3.44 -0.31 6.68 1.01 0.38 -1.49 121.20 132.27 3m1r s ILE 184 Ca 0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 3m1r s ILE 184 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3m1r s ILE 184 CO 0.07 0.06 0.25 -1.10 0.00 0.00 0.00 174.94 174.21 3m1r s GLN 185 N 1.39 3.70 -0.20 2.79 -0.21 0.09 0.42 119.66 127.64 3m1r s GLN 185 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 3m1r s GLN 185 Cb -0.18 -3.75 -0.00 0.00 1.00 0.00 0.00 33.01 30.08 3m1r s GLN 185 CO -0.00 -0.35 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.22 3m1r s LEU 186 N 1.80 2.73 0.00 2.90 1.43 -0.06 -1.17 118.68 126.30 3m1r s LEU 186 Ca 0.08 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3m1r s LEU 186 Cb -0.17 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3m1r s LEU 186 CO 0.11 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3m1r n GLY 187 N 4.59 1.11 3.67 -3.19 0.00 -0.64 -0.75 105.19 109.97 3m1r n GLY 187 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 3m1r n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m1r n ILE 188 N -1.15 0.07 -5.02 -0.61 2.08 -0.96 -3.92 119.36 109.85 3m1r n ILE 188 Ca 0.00 -0.01 -0.32 0.00 0.56 0.00 0.00 62.75 62.98 3m1r n ILE 188 Cb 0.00 -1.56 -0.14 0.00 -0.75 0.00 0.00 39.64 37.19 3m1r n ILE 188 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3m1r s ARG 189 N 1.28 2.31 0.17 0.38 3.52 -0.61 -4.28 118.95 121.72 3m1r s ARG 189 Ca 0.81 -0.81 -0.32 0.00 -0.13 0.00 0.00 55.73 55.28 3m1r s ARG 189 Cb -0.69 -2.23 -0.11 0.00 -1.56 0.00 0.00 34.95 30.36 3m1r s ARG 189 CO 0.40 0.59 1.67 -2.00 -0.81 0.00 0.00 175.30 175.15 3m1r s GLU 190 N -0.76 4.17 -0.19 5.12 2.56 -1.26 -1.54 118.70 126.80 3m1r s GLU 190 Ca 0.11 2.49 0.00 0.00 0.00 0.00 0.00 54.97 57.57 3m1r s GLU 190 Cb -0.10 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.82 3m1r s GLU 190 CO 0.00 -0.71 0.00 1.19 -0.56 0.00 0.00 175.26 175.19 3m1r n PHE 191 N 4.32 0.00 0.92 5.30 3.01 -1.26 -4.89 117.46 124.86 3m1r n PHE 191 Ca 0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.73 3m1r n PHE 191 Cb 0.37 -1.03 0.10 0.00 -0.01 0.00 0.00 39.48 38.91 3m1r n PHE 191 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3m1r n SER 192 N -0.23 2.88 -4.22 4.37 7.64 -0.59 -5.03 113.62 118.45 3m1r n SER 192 Ca -0.02 -1.93 -0.13 0.00 1.01 0.00 0.00 58.87 57.80 3m1r n SER 192 Cb 0.23 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 3m1r n SER 192 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3m1r s ASN 193 N -1.86 0.67 0.11 6.43 0.01 -1.26 -4.79 114.94 114.26 3m1r s ASN 193 Ca 0.26 -1.28 0.06 0.00 -0.71 0.00 0.00 52.86 51.19 3m1r s ASN 193 Cb 0.19 0.24 -0.04 0.00 0.41 0.00 0.00 41.25 42.05 3m1r s ASN 193 CO 0.28 -0.72 -0.01 -0.94 -1.51 0.00 0.00 177.10 174.20 3m1r s SER 194 N -3.16 4.89 0.23 -1.22 1.04 -1.26 -5.03 113.70 109.20 3m1r s SER 194 Ca 0.30 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 3m1r s SER 194 Cb 0.07 -1.11 0.41 0.00 0.10 0.00 0.00 66.02 65.50 3m1r s SER 194 CO 0.07 0.15 1.70 -0.61 0.98 0.00 0.00 173.24 175.53 3m1r h GLN 195 N 3.26 0.30 -0.11 4.02 4.15 -2.01 -2.17 115.11 122.54 3m1r h GLN 195 Ca -0.48 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 58.82 3m1r h GLN 195 Cb 1.17 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3m1r h GLN 195 CO 0.58 0.20 -0.38 0.00 -1.93 0.00 0.00 178.83 177.30 3m1r h ALA 196 N 1.56 1.16 0.19 3.38 0.00 -1.99 -2.48 119.26 121.07 3m1r h ALA 196 Ca 0.39 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3m1r h ALA 196 Cb 0.62 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3m1r h ALA 196 CO -0.46 0.56 -1.41 1.88 0.00 0.00 0.00 179.25 179.82 3m1r h TYR 197 N 0.20 0.74 -0.92 0.00 0.05 -1.82 -1.56 116.97 113.65 3m1r h TYR 197 Ca 0.02 -0.54 0.09 0.00 0.05 0.00 0.00 58.73 58.36 3m1r h TYR 197 Cb 0.77 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.41 3m1r h TYR 197 CO 0.01 1.45 0.59 1.49 -1.05 0.00 0.00 178.16 180.65 3m1r h GLU 198 N 0.11 0.91 -0.13 4.88 4.81 -1.40 -1.27 114.58 122.49 3m1r h GLU 198 Ca -0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3m1r h GLU 198 Cb 2.08 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 31.25 3m1r h GLU 198 CO 0.23 0.60 -0.02 0.00 -0.73 0.00 0.00 179.01 179.09 3m1r h ALA 199 N 1.54 0.18 -0.44 2.92 0.00 -1.32 -0.72 119.26 121.42 3m1r h ALA 199 Ca 0.43 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3m1r h ALA 199 Cb 0.38 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 3m1r h ALA 199 CO -0.19 -0.08 -0.15 -0.92 0.00 0.00 0.00 179.25 177.91 3m1r h TYR 200 N -0.05 -0.35 -0.61 0.00 3.20 -0.97 0.28 116.97 118.46 3m1r h TYR 200 Ca 0.03 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3m1r h TYR 200 Cb 0.43 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3m1r h TYR 200 CO 0.05 -0.24 0.17 0.00 -1.64 0.00 0.00 178.16 176.51 3m1r h ALA 201 N 1.33 0.80 -0.20 1.82 0.00 -1.05 -2.27 119.26 119.68 3m1r h ALA 201 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3m1r h ALA 201 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3m1r h ALA 201 CO -0.48 0.48 -0.06 0.87 0.00 0.00 0.00 179.25 180.06 3m1r h LYS 202 N 0.87 0.39 -1.17 0.00 1.57 -0.67 -2.11 116.57 115.46 3m1r h LYS 202 Ca 0.19 -0.16 0.33 0.00 -1.87 0.00 0.00 60.65 59.15 3m1r h LYS 202 Cb 0.31 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 3m1r h LYS 202 CO -0.00 0.65 0.77 0.87 -0.57 0.00 0.00 179.45 181.17 3m1r h LYS 203 N 0.11 0.22 -0.34 3.15 6.56 -0.26 0.73 116.57 126.74 3m1r h LYS 203 Ca 0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 3m1r h LYS 203 Cb 0.51 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 3m1r h LYS 203 CO 0.02 0.14 0.00 0.72 -2.06 0.00 0.00 179.45 178.28 3m1r n HIS 204 N -4.53 0.45 -2.81 -1.35 8.25 -0.85 -4.93 115.22 109.44 3m1r n HIS 204 Ca 0.29 -0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 3m1r n HIS 204 Cb 1.12 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.25 3m1r n HIS 204 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m1r n ASN 205 N 0.72 -5.47 -4.77 0.41 4.13 0.25 -3.60 115.26 106.93 3m1r n ASN 205 Ca 0.16 -0.16 -0.38 0.00 1.68 0.00 0.00 54.58 55.88 3m1r n ASN 205 Cb 0.39 -4.50 -0.01 0.00 -1.54 0.00 0.00 39.78 34.13 3m1r n ASN 205 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3m1r s VAL 206 N -3.04 2.92 -0.59 2.41 0.11 -0.86 -2.80 120.40 118.56 3m1r s VAL 206 Ca 0.19 0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 59.70 3m1r s VAL 206 Cb -0.09 -3.40 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 3m1r s VAL 206 CO 0.23 0.04 1.29 0.20 -3.33 0.00 0.00 175.10 173.53 3m1r s ASN 207 N -1.12 6.29 -0.30 3.54 0.01 -0.56 -4.82 114.94 117.99 3m1r s ASN 207 Ca 0.61 0.12 -0.08 0.00 -0.71 0.00 0.00 52.86 52.79 3m1r s ASN 207 Cb -0.32 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.78 3m1r s ASN 207 CO 0.40 -1.61 0.12 -0.63 -1.51 0.00 0.00 177.10 173.87 3m1r s ILE 208 N 5.48 4.38 -0.25 0.60 1.01 -1.26 -0.73 121.20 130.43 3m1r s ILE 208 Ca 0.46 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3m1r s ILE 208 Cb -0.09 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.21 3m1r s ILE 208 CO 0.24 0.11 -0.11 -1.00 0.00 0.00 0.00 174.94 174.17 3m1r s HIS 209 N 1.58 3.15 0.00 3.97 3.76 -0.32 -5.01 115.29 122.42 3m1r s HIS 209 Ca 0.04 -2.06 0.00 0.00 -0.15 0.00 0.00 55.06 52.89 3m1r s HIS 209 Cb -0.17 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.56 3m1r s HIS 209 CO 0.05 -0.84 0.00 0.25 -0.85 0.00 0.00 174.74 173.35 3m1r n THR 210 N 4.51 0.00 -0.79 1.30 -2.24 -1.26 -1.63 114.28 114.18 3m1r n THR 210 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3m1r n THR 210 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3m1r n THR 210 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m1r n ASP 212 N 0.00 -0.05 0.00 3.42 8.00 -1.26 -4.61 116.55 122.05 3m1r n ASP 212 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3m1r n ASP 212 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3m1r n ASP 212 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3m1r n ILE 214 N -0.78 0.00 0.21 0.53 5.41 -1.26 -1.66 119.36 121.81 3m1r n ILE 214 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3m1r n ILE 214 Cb 0.02 0.00 0.46 0.00 -0.71 0.00 0.00 39.64 39.41 3m1r n ILE 214 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3m1r h ARG 215 N 0.00 0.00 0.18 0.38 2.47 -1.91 0.27 114.38 115.76 3m1r h ARG 215 Ca 0.00 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 3m1r h ARG 215 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3m1r h ARG 215 CO 0.00 0.30 -1.34 0.93 0.56 0.00 0.00 179.97 180.42 3m1r h GLU 216 N 0.00 0.52 0.00 0.04 5.08 -1.71 -3.39 114.58 115.12 3m1r h GLU 216 Ca -0.00 -0.80 -0.09 0.00 -1.00 0.00 0.00 59.36 57.46 3m1r h GLU 216 Cb 0.65 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3m1r h GLU 216 CO 0.04 1.37 -1.99 1.17 -1.00 0.00 0.00 179.01 178.60 3m1r n LYS 217 N -3.71 0.72 0.00 2.33 4.81 -1.18 -5.10 118.16 116.03 3m1r n LYS 217 Ca -0.14 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 3m1r n LYS 217 Cb 1.04 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.63 3m1r n LYS 217 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m1r n GLY 218 N 1.54 0.97 0.06 3.14 0.00 0.93 -4.60 105.19 107.24 3m1r n GLY 218 Ca -0.11 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3m1r n GLY 218 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m1r h LEU 219 N 0.00 0.00 -0.15 0.99 5.85 -1.96 -1.43 115.31 118.62 3m1r h LEU 219 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3m1r h LEU 219 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3m1r h LEU 219 CO 0.00 0.01 0.03 0.40 -0.34 0.00 0.00 178.44 178.54 3m1r h ILE 220 N 0.04 1.22 -0.77 4.05 1.08 -1.93 -1.55 117.51 119.65 3m1r h ILE 220 Ca 0.03 -0.69 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 3m1r h ILE 220 Cb 0.03 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 3m1r h ILE 220 CO -0.04 0.21 0.47 -0.65 -0.69 0.00 0.00 178.15 177.44 3m1r h PRO 221 N 0.02 0.87 -0.33 2.37 0.11 -1.81 0.17 132.00 133.40 3m1r h PRO 221 Ca 0.04 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.17 3m1r h PRO 221 Cb 0.29 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.14 3m1r h PRO 221 CO 0.00 0.57 -0.12 1.15 -0.21 0.00 0.00 178.00 179.40 3m1r h THR 222 N 0.89 0.60 -0.45 -1.15 2.02 -0.97 -0.98 112.91 112.87 3m1r h THR 222 Ca 0.32 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.52 3m1r h THR 222 Cb 0.09 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3m1r h THR 222 CO -0.14 0.00 0.27 0.40 0.37 0.00 0.00 175.52 176.42 3m1r h ILE 223 N -0.05 1.05 -0.16 3.11 2.04 -0.89 -2.95 117.51 119.66 3m1r h ILE 223 Ca 0.16 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3m1r h ILE 223 Cb 0.30 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3m1r h ILE 223 CO -0.37 0.10 0.22 0.11 0.00 0.00 0.00 178.15 178.21 3m1r h LYS 224 N 0.54 0.00 0.05 2.37 1.57 0.69 -0.87 116.57 120.93 3m1r h LYS 224 Ca 0.18 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.59 3m1r h LYS 224 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3m1r h LYS 224 CO -0.08 0.00 -2.16 -0.85 -0.57 0.00 0.00 179.45 175.80 3m1r n GLU 225 N -3.59 0.70 0.03 3.15 0.28 -0.99 -4.45 120.64 115.77 3m1r n GLU 225 Ca 0.01 0.20 0.03 0.00 -0.16 0.00 0.00 57.16 57.24 3m1r n GLU 225 Cb 0.33 -1.64 -0.08 0.00 1.43 0.00 0.00 31.44 31.48 3m1r n GLU 225 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 3m1r n ILE 226 N -3.26 0.97 -0.03 3.84 3.06 -1.04 -4.39 119.36 118.50 3m1r n ILE 226 Ca -0.34 -0.66 -0.12 0.00 -2.50 0.00 0.00 62.75 59.13 3m1r n ILE 226 Cb 1.04 -0.56 -0.06 0.00 0.54 0.00 0.00 39.64 40.60 3m1r n ILE 226 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3m1r h LEU 227 N 0.00 0.20 -1.36 9.51 5.85 -1.38 -2.66 115.31 125.46 3m1r h LEU 227 Ca -0.15 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.38 3m1r h LEU 227 Cb 1.46 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 3m1r h LEU 227 CO 0.03 0.40 0.48 -0.65 -0.34 0.00 0.00 178.44 178.36 3m1r h PRO 228 N -0.02 0.76 -0.59 5.25 0.11 -1.78 0.04 132.00 135.77 3m1r h PRO 228 Ca 0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3m1r h PRO 228 Cb 0.29 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3m1r h PRO 228 CO 0.00 0.50 0.37 0.28 -0.21 0.00 0.00 178.00 178.94 3m1r h VAL 229 N 0.79 1.16 0.15 3.15 2.07 -1.69 -2.13 116.25 119.76 3m1r h VAL 229 Ca 0.31 -0.34 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 3m1r h VAL 229 Cb 0.21 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3m1r h VAL 229 CO -0.10 0.17 -1.61 0.58 0.02 0.00 0.00 177.57 176.62 3m1r h VAL 230 N 0.81 1.08 -0.03 2.57 2.07 -1.08 -3.14 116.25 118.52 3m1r h VAL 230 Ca 0.21 -2.68 0.01 0.00 0.82 0.00 0.00 66.70 65.07 3m1r h VAL 230 Cb -0.05 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3m1r h VAL 230 CO -0.04 0.83 0.13 1.56 0.02 0.00 0.00 177.57 180.07 3m1r h GLN 231 N 0.09 0.00 0.00 1.57 4.20 -0.85 -0.92 115.11 119.20 3m1r h GLN 231 Ca -0.28 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.25 3m1r h GLN 231 Cb 2.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.82 3m1r h GLN 231 CO 0.18 0.00 -0.84 0.22 -0.67 0.00 0.00 178.83 177.72 3m1r h ASP 232 N 0.00 0.00 -0.61 1.46 3.58 -1.33 -3.08 116.42 116.44 3m1r h ASP 232 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3m1r h ASP 232 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3m1r h ASP 232 CO -0.00 0.84 0.00 0.29 -2.88 0.00 0.00 179.24 177.49 3m1r n LYS 233 N -3.41 3.43 -3.89 0.28 5.02 -0.38 -4.99 118.16 114.21 3m1r n LYS 233 Ca 0.00 -2.77 -0.11 0.00 -2.02 0.00 0.00 58.31 53.42 3m1r n LYS 233 Cb 0.84 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 3m1r n LYS 233 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3m1r s THR 234 N -1.67 0.08 -0.13 -0.18 -1.32 -1.01 -4.95 115.64 106.46 3m1r s THR 234 Ca 0.48 -0.67 0.19 0.00 -1.21 0.00 0.00 61.69 60.48 3m1r s THR 234 Cb 0.30 -0.36 -0.28 0.00 -1.51 0.00 0.00 72.50 70.65 3m1r s THR 234 CO 0.24 -0.37 0.22 0.47 -2.21 0.00 0.00 174.62 172.98 3m1r n ASP 235 N 1.66 0.15 -4.13 8.08 9.92 -0.68 -4.81 116.55 126.74 3m1r n ASP 235 Ca -0.22 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.95 3m1r n ASP 235 Cb 0.56 1.36 -0.10 0.00 -0.64 0.00 0.00 41.12 42.30 3m1r n ASP 235 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3m1r s PHE 236 N -2.85 0.72 -0.00 1.24 0.40 -0.15 -4.85 117.98 112.49 3m1r s PHE 236 Ca -0.09 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.34 3m1r s PHE 236 Cb 0.09 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 3m1r s PHE 236 CO 0.83 -0.25 -0.22 0.96 0.70 0.00 0.00 175.22 177.24 3m1r s ILE 237 N -3.71 1.76 -0.06 0.64 -4.36 -0.30 -0.11 121.20 115.07 3m1r s ILE 237 Ca 0.09 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.51 3m1r s ILE 237 Cb 0.06 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 3m1r s ILE 237 CO -0.07 0.44 -0.22 0.12 0.24 0.00 0.00 174.94 175.44 3m1r s PHE 238 N -0.59 2.24 -0.33 1.37 5.36 -0.04 0.41 117.98 126.40 3m1r s PHE 238 Ca 0.09 -0.70 -0.10 0.00 -0.96 0.00 0.00 56.93 55.26 3m1r s PHE 238 Cb -0.09 -1.48 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3m1r s PHE 238 CO -0.00 -0.23 0.16 0.42 -1.46 0.00 0.00 175.22 174.11 3m1r s ILE 239 N -0.02 4.51 -0.42 3.12 1.01 -0.64 -1.77 121.20 127.00 3m1r s ILE 239 Ca -0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 3m1r s ILE 239 Cb -0.14 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.02 3m1r s ILE 239 CO 0.04 -0.03 0.28 -0.55 0.00 0.00 0.00 174.94 174.68 3m1r s SER 240 N 1.58 5.82 -0.47 3.58 0.15 0.07 -1.26 113.70 123.16 3m1r s SER 240 Ca 0.03 -1.28 -0.14 0.00 0.70 0.00 0.00 55.95 55.26 3m1r s SER 240 Cb -0.18 -2.05 0.08 0.00 -1.71 0.00 0.00 66.02 62.16 3m1r s SER 240 CO 0.06 -0.52 0.38 -0.69 1.20 0.00 0.00 173.24 173.67 3m1r s VAL 241 N 1.53 4.99 0.00 4.45 1.01 0.34 -0.69 120.40 132.03 3m1r s VAL 241 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3m1r s VAL 241 Cb -0.22 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3m1r s VAL 241 CO 0.05 -0.60 0.00 -0.67 0.00 0.00 0.00 175.10 173.88 3m1r n ASP 242 N 5.14 0.00 0.00 3.32 -0.08 -0.38 -0.75 116.55 123.79 3m1r n ASP 242 Ca -0.12 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 3m1r n ASP 242 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 3m1r n ASP 242 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3m1r n ASP 244 N -2.78 0.00 0.31 1.67 5.68 -1.26 -4.40 116.55 115.77 3m1r n ASP 244 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3m1r n ASP 244 Cb 0.00 -0.02 1.02 0.00 -1.14 0.00 0.00 41.12 40.98 3m1r n ASP 244 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3m1r h VAL 245 N 0.00 0.26 -3.56 2.12 3.04 -1.90 -3.40 116.25 112.82 3m1r h VAL 245 Ca 0.00 -0.11 -0.52 0.00 -1.01 0.00 0.00 66.70 65.06 3m1r h VAL 245 Cb 0.00 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 3m1r h VAL 245 CO 0.00 0.02 0.10 -0.76 -1.01 0.00 0.00 177.57 175.92 3m1r s LEU 246 N -6.83 4.35 0.47 3.16 1.43 -1.26 -1.61 118.68 118.39 3m1r s LEU 246 Ca -0.04 1.42 -0.22 0.00 -1.03 0.00 0.00 54.13 54.25 3m1r s LEU 246 Cb 0.13 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 3m1r s LEU 246 CO 0.49 0.04 0.76 -0.67 0.23 0.00 0.00 176.35 177.20 3m1r n ASP 247 N 0.76 0.05 -0.30 2.29 2.03 0.19 -4.63 116.55 116.95 3m1r n ASP 247 Ca -0.03 0.91 0.04 0.00 0.52 0.00 0.00 54.79 56.23 3m1r n ASP 247 Cb 0.51 -1.24 0.25 0.00 -0.72 0.00 0.00 41.12 39.91 3m1r n ASP 247 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3m1r h GLN 248 N 0.92 0.98 -0.13 -0.67 3.07 -1.65 0.19 115.11 117.82 3m1r h GLN 248 Ca -0.44 -0.06 0.04 0.00 0.09 0.00 0.00 58.65 58.28 3m1r h GLN 248 Cb 1.37 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 3m1r h GLN 248 CO 0.52 0.65 0.11 0.66 0.09 0.00 0.00 178.83 180.87 3m1r h SER 249 N 1.01 0.00 0.19 0.06 4.64 -1.89 -2.07 113.55 115.50 3m1r h SER 249 Ca 0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 3m1r h SER 249 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3m1r h SER 249 CO -0.14 0.00 -1.83 1.41 -0.87 0.00 0.00 176.83 175.40 3m1r n HIS 250 N -4.21 0.20 -3.14 4.77 8.25 -0.23 -4.69 115.22 116.16 3m1r n HIS 250 Ca 0.00 0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 3m1r n HIS 250 Cb 0.23 -0.62 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 3m1r n HIS 250 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1r n ALA 251 N -2.27 1.84 0.85 -1.41 0.00 -0.11 -4.77 120.51 114.63 3m1r n ALA 251 Ca -0.05 -3.03 0.11 0.00 0.00 0.00 0.00 53.44 50.47 3m1r n ALA 251 Cb 0.60 -0.89 0.50 0.00 0.00 0.00 0.00 19.45 19.65 3m1r n ALA 251 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3m1r n PRO 252 N 1.65 0.10 -1.09 0.00 -0.04 -0.83 -3.44 135.00 131.36 3m1r n PRO 252 Ca 0.20 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.56 3m1r n PRO 252 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 3m1r n PRO 252 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m1r n GLY 253 N 0.71 4.26 3.57 0.55 0.00 -1.26 -4.60 105.19 108.42 3m1r n GLY 253 Ca 0.07 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 3m1r n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h PRO 255 N 5.77 0.13 -4.57 0.00 0.11 -1.90 -3.27 132.00 128.27 3m1r h PRO 255 Ca -0.42 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 64.95 3m1r h PRO 255 Cb 1.18 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 3m1r h PRO 255 CO 0.57 0.09 0.57 0.00 -0.21 0.00 0.00 178.00 179.01 3m1r s ALA 256 N -6.15 3.66 -0.11 -0.75 0.00 -1.26 -5.01 121.76 112.13 3m1r s ALA 256 Ca -0.13 -3.00 -0.06 0.00 0.00 0.00 0.00 51.96 48.77 3m1r s ALA 256 Cb 0.18 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3m1r s ALA 256 CO 0.73 -2.71 0.10 0.96 0.00 0.00 0.00 175.76 174.84 3m1r s ILE 257 N 1.70 5.16 0.27 0.00 -4.36 -1.24 -4.80 121.20 117.92 3m1r s ILE 257 Ca 0.28 0.08 -0.17 0.00 -0.26 0.00 0.00 60.65 60.57 3m1r s ILE 257 Cb -0.07 -3.23 0.01 0.00 1.25 0.00 0.00 42.46 40.42 3m1r s ILE 257 CO -0.09 0.61 0.60 -0.83 0.24 0.00 0.00 174.94 175.48 3m1r s GLY 258 N -0.97 0.23 0.56 6.27 0.00 -1.26 -4.99 107.32 107.17 3m1r s GLY 258 Ca 0.14 -0.60 -0.09 0.00 0.00 0.00 0.00 44.72 44.17 3m1r s GLY 258 CO 0.03 -0.36 0.93 2.56 0.00 0.00 0.00 173.10 176.27 3m1r s PRO 259 N -3.92 3.58 0.00 2.90 0.04 -1.26 -1.96 135.00 134.38 3m1r s PRO 259 Ca 0.17 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3m1r s PRO 259 Cb -0.03 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3m1r s PRO 259 CO 0.08 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3m1r n GLY 260 N -2.53 1.03 1.53 0.56 0.00 -1.26 -4.94 105.19 99.59 3m1r n GLY 260 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 3m1r n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 261 N -1.60 1.48 3.82 -0.02 0.00 -1.26 -4.92 105.19 102.68 3m1r n GLY 261 Ca 0.00 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 3m1r n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1r s LEU 262 N 0.00 3.03 0.09 0.99 1.43 -0.63 -4.22 118.68 119.38 3m1r s LEU 262 Ca 0.25 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 3m1r s LEU 262 Cb -0.02 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 3m1r s LEU 262 CO 0.16 -1.53 0.12 -0.31 0.23 0.00 0.00 176.35 175.02 3m1r s TYR 263 N -3.07 3.26 0.26 0.29 1.51 -1.26 -0.63 117.35 117.70 3m1r s TYR 263 Ca 0.58 0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.69 3m1r s TYR 263 Cb -0.14 -1.63 0.32 0.00 -0.11 0.00 0.00 41.96 40.40 3m1r s TYR 263 CO 0.55 0.53 1.91 1.15 -1.11 0.00 0.00 175.55 178.58 3m1r h THR 264 N 2.34 1.19 -0.68 -0.71 2.02 -1.97 -1.69 112.91 113.42 3m1r h THR 264 Ca -0.47 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.33 3m1r h THR 264 Cb 1.17 -0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 3m1r h THR 264 CO 0.67 0.24 -0.40 0.47 0.37 0.00 0.00 175.52 176.87 3m1r n ASP 265 N -4.43 -0.72 -0.21 4.18 10.43 -1.26 -0.36 116.55 124.18 3m1r n ASP 265 Ca 0.13 1.41 -0.07 0.00 2.57 0.00 0.00 54.79 58.83 3m1r n ASP 265 Cb 0.08 -0.26 0.03 0.00 1.84 0.00 0.00 41.12 42.81 3m1r n ASP 265 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3m1r h GLU 266 N 0.00 0.83 -0.43 -1.24 5.08 -1.73 -2.57 114.58 114.51 3m1r h GLU 266 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3m1r h GLU 266 Cb 0.28 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3m1r h GLU 266 CO -0.64 0.64 0.21 1.25 -1.00 0.00 0.00 179.01 179.48 3m1r h LEU 267 N 0.80 0.56 -0.15 1.33 5.85 -0.92 0.04 115.31 122.83 3m1r h LEU 267 Ca 0.21 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3m1r h LEU 267 Cb 0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3m1r h LEU 267 CO -0.03 0.52 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.50 3m1r h LEU 268 N 0.56 -0.10 -0.73 2.25 4.07 -0.53 -0.31 115.31 120.51 3m1r h LEU 268 Ca 0.15 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 3m1r h LEU 268 Cb 0.11 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3m1r h LEU 268 CO -0.02 -0.03 0.30 -0.08 -1.08 0.00 0.00 178.44 177.52 3m1r h GLU 269 N 0.02 1.09 -0.36 1.13 4.81 -1.16 -1.68 114.58 118.42 3m1r h GLU 269 Ca 0.07 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3m1r h GLU 269 Cb 0.10 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3m1r h GLU 269 CO -0.14 0.89 0.16 0.00 -0.73 0.00 0.00 179.01 179.20 3m1r h ALA 270 N 1.14 0.47 -0.42 2.92 0.00 -0.63 -2.04 119.26 120.70 3m1r h ALA 270 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3m1r h ALA 270 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3m1r h ALA 270 CO -0.02 0.05 0.14 0.28 0.00 0.00 0.00 179.25 179.70 3m1r h VAL 271 N 0.45 1.22 -0.90 0.00 2.07 -0.74 -1.32 116.25 117.02 3m1r h VAL 271 Ca 0.12 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3m1r h VAL 271 Cb 0.15 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3m1r h VAL 271 CO -0.01 0.25 0.58 0.07 0.02 0.00 0.00 177.57 178.48 3m1r h LYS 272 N 0.54 1.06 -0.10 1.57 5.09 -1.30 0.79 116.57 124.22 3m1r h LYS 272 Ca 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 60.65 60.80 3m1r h LYS 272 Cb 0.26 -0.24 -0.00 0.00 0.10 0.00 0.00 32.23 32.34 3m1r h LYS 272 CO -0.00 0.70 0.00 -0.92 -2.09 0.00 0.00 179.45 177.14 3m1r h TYR 273 N 1.10 0.19 -0.68 0.07 3.20 -1.00 -2.76 116.97 117.09 3m1r h TYR 273 Ca 0.37 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.22 3m1r h TYR 273 Cb 0.06 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3m1r h TYR 273 CO -0.02 0.42 0.44 0.82 -1.64 0.00 0.00 178.16 178.18 3m1r h ILE 274 N -0.09 1.15 0.00 1.81 2.04 -1.06 -1.96 117.51 119.41 3m1r h ILE 274 Ca 0.03 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3m1r h ILE 274 Cb 0.34 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3m1r h ILE 274 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3m1r n ALA 275 N -2.29 1.98 0.36 1.87 0.00 0.25 -1.38 120.51 121.30 3m1r n ALA 275 Ca 0.06 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3m1r n ALA 275 Cb 0.03 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.33 3m1r n ALA 275 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3m1r h GLN 276 N 0.00 0.00 -7.28 0.00 4.20 -1.06 -3.43 115.11 107.55 3m1r h GLN 276 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3m1r h GLN 276 Cb 0.03 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.89 3m1r h GLN 276 CO 0.00 0.00 0.37 -0.65 -0.67 0.00 0.00 178.83 177.88 3m1r s GLN 277 N -3.26 3.15 0.32 1.46 -1.52 -0.48 -4.47 119.66 114.85 3m1r s GLN 277 Ca 0.03 1.04 -0.29 0.00 -1.95 0.00 0.00 55.36 54.19 3m1r s GLN 277 Cb 0.12 -2.02 -0.11 0.00 -0.22 0.00 0.00 33.01 30.78 3m1r s GLN 277 CO 0.76 -0.93 1.42 -2.14 -0.25 0.00 0.00 175.29 174.15 3m1r s PRO 278 N -4.63 4.24 -1.06 2.91 0.02 -1.26 -3.63 135.00 131.59 3m1r s PRO 278 Ca 0.60 2.37 -0.06 0.00 0.02 0.00 0.00 61.00 63.94 3m1r s PRO 278 Cb -0.14 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.33 3m1r s PRO 278 CO 0.47 -0.39 0.76 0.09 -0.33 0.00 0.00 177.00 177.60 3m1r n ASN 279 N 1.27 -5.20 -4.59 2.53 3.02 -1.26 -4.73 115.26 106.30 3m1r n ASN 279 Ca 0.03 -0.35 -0.43 0.00 -0.03 0.00 0.00 54.58 53.81 3m1r n ASN 279 Cb 0.40 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 3m1r n ASN 279 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3m1r s VAL 280 N -3.17 3.60 -0.49 2.41 1.01 -1.24 -1.14 120.40 121.37 3m1r s VAL 280 Ca 0.38 0.59 0.24 0.00 0.00 0.00 0.00 61.98 63.18 3m1r s VAL 280 Cb -0.17 -3.85 0.26 0.00 0.00 0.00 0.00 36.38 32.62 3m1r s VAL 280 CO 0.47 -0.57 1.54 0.00 0.00 0.00 0.00 175.10 176.54 3m1r h ALA 281 N 12.36 0.90 0.00 5.51 0.00 -0.41 -3.47 119.26 134.14 3m1r h ALA 281 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3m1r h ALA 281 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m1r h ALA 281 CO 1.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3m1r n GLY 282 N 1.17 -0.57 3.08 0.00 0.00 -1.24 -3.79 105.19 103.84 3m1r n GLY 282 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 3m1r n GLY 282 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m1r s ILE 283 N -2.00 0.02 0.03 -0.61 2.07 -0.79 -1.62 121.20 118.29 3m1r s ILE 283 Ca 0.00 -0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.13 3m1r s ILE 283 Cb 0.00 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 3m1r s ILE 283 CO 0.00 -0.09 -0.16 -1.83 -1.91 0.00 0.00 174.94 170.95 3m1r s GLU 284 N -0.26 1.12 -0.22 3.50 -1.05 -0.39 -1.11 118.70 120.29 3m1r s GLU 284 Ca -0.04 -0.74 -0.01 0.00 -0.15 0.00 0.00 54.97 54.03 3m1r s GLU 284 Cb -0.03 -1.14 0.02 0.00 -0.44 0.00 0.00 34.13 32.54 3m1r s GLU 284 CO 0.01 0.29 -0.11 0.42 0.95 0.00 0.00 175.26 176.82 3m1r s ILE 285 N -0.70 2.65 0.30 1.83 1.01 -0.64 -0.50 121.20 125.15 3m1r s ILE 285 Ca 0.04 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.89 3m1r s ILE 285 Cb -0.07 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 3m1r s ILE 285 CO 0.01 0.38 -0.10 0.68 0.00 0.00 0.00 174.94 175.90 3m1r s VAL 286 N 1.34 2.02 -0.57 2.92 -7.23 0.07 -0.28 120.40 118.66 3m1r s VAL 286 Ca 0.03 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3m1r s VAL 286 Cb -0.15 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3m1r s VAL 286 CO -0.07 -0.31 0.00 -0.62 -0.31 0.00 0.00 175.10 173.79 3m1r n GLU 287 N -0.65 -0.38 -2.88 4.82 -0.58 -0.71 -4.50 120.64 115.76 3m1r n GLU 287 Ca -0.05 0.68 -0.41 0.00 -0.42 0.00 0.00 57.16 56.96 3m1r n GLU 287 Cb 0.63 -4.41 -0.04 0.00 -0.57 0.00 0.00 31.44 27.05 3m1r n GLU 287 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3m1r s VAL 288 N -2.19 4.91 -0.34 2.62 1.01 -1.26 -4.23 120.40 120.91 3m1r s VAL 288 Ca 0.00 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3m1r s VAL 288 Cb 0.00 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.32 3m1r s VAL 288 CO 0.00 0.10 0.07 -0.62 0.00 0.00 0.00 175.10 174.64 3m1r s ASP 289 N 1.04 4.61 0.53 3.32 -1.08 0.30 -4.17 116.67 121.23 3m1r s ASP 289 Ca 0.41 -2.08 0.18 0.00 -0.52 0.00 0.00 52.55 50.54 3m1r s ASP 289 Cb -0.18 -1.48 1.32 0.00 -1.46 0.00 0.00 42.92 41.12 3m1r s ASP 289 CO 0.17 -0.38 2.13 -0.65 0.52 0.00 0.00 175.17 176.95 3m1r h PRO 290 N 7.67 0.00 0.00 4.34 0.11 -1.79 -0.66 132.00 141.68 3m1r h PRO 290 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m1r h PRO 290 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3m1r h PRO 290 CO 0.51 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 3m1r n THR 291 N -4.48 0.63 0.68 -1.15 -2.24 -1.26 -2.37 114.28 104.09 3m1r n THR 291 Ca -0.01 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 3m1r n THR 291 Cb 0.17 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 3m1r n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3m1r n LEU 292 N -1.86 1.18 -4.86 3.22 4.77 -0.27 -5.05 117.00 114.13 3m1r n LEU 292 Ca 0.04 -0.65 -0.30 0.00 -0.03 0.00 0.00 56.01 55.07 3m1r n LEU 292 Cb 0.28 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3m1r n LEU 292 CO 0.22 0.24 0.74 -0.62 -1.33 0.00 0.00 177.39 176.64 3m1r s ASP 293 N -2.06 5.20 -0.25 -1.43 -1.08 -1.00 -4.39 116.67 111.66 3m1r s ASP 293 Ca 0.10 1.21 -0.13 0.00 -0.52 0.00 0.00 52.55 53.20 3m1r s ASP 293 Cb 0.12 -1.99 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 3m1r s ASP 293 CO 0.48 -1.51 0.29 0.12 0.52 0.00 0.00 175.17 175.07 3m1r s PHE 294 N -3.29 3.29 0.00 -5.34 2.19 -1.26 -4.90 117.98 108.66 3m1r s PHE 294 Ca 0.59 0.35 0.00 0.00 0.33 0.00 0.00 56.93 58.20 3m1r s PHE 294 Cb -0.12 -2.45 0.00 0.00 -1.31 0.00 0.00 43.02 39.14 3m1r s PHE 294 CO 0.53 -0.10 0.00 0.54 1.83 0.00 0.00 175.22 178.02 3m1r n ARG 295 N 4.84 0.00 -4.01 10.12 1.74 -1.26 -4.61 116.66 123.47 3m1r n ARG 295 Ca -0.11 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 3m1r n ARG 295 Cb 0.51 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.80 3m1r n ARG 295 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3m1r s ASP 296 N -4.00 4.16 0.00 0.55 -4.77 -1.26 -4.99 116.67 106.36 3m1r s ASP 296 Ca 0.00 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 47.96 3m1r s ASP 296 Cb 0.00 -1.38 0.00 0.00 -1.09 0.00 0.00 42.92 40.45 3m1r s ASP 296 CO 0.00 -0.21 0.00 0.41 0.70 0.00 0.00 175.17 176.07 3m1r n THR 298 N 4.54 0.00 -0.06 2.11 -1.04 -1.26 -0.55 114.28 118.02 3m1r n THR 298 Ca -0.13 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 3m1r n THR 298 Cb 0.43 0.00 0.21 0.00 -1.82 0.00 0.00 70.33 69.15 3m1r n THR 298 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3m1r h SER 299 N 0.00 0.64 -0.51 8.00 0.02 -1.94 -1.53 113.55 118.24 3m1r h SER 299 Ca 0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3m1r h SER 299 Cb 0.00 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3m1r h SER 299 CO 0.00 0.73 0.18 0.03 -1.14 0.00 0.00 176.83 176.62 3m1r h ARG 300 N 0.63 0.78 -0.59 3.45 3.08 -1.16 0.34 114.38 120.90 3m1r h ARG 300 Ca 0.12 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3m1r h ARG 300 Cb 0.43 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3m1r h ARG 300 CO 0.02 0.71 0.33 0.00 -1.07 0.00 0.00 179.97 179.96 3m1r h ALA 301 N 1.03 1.47 -0.34 0.04 0.00 -1.77 -0.66 119.26 119.04 3m1r h ALA 301 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3m1r h ALA 301 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m1r h ALA 301 CO -0.01 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.70 3m1r h ALA 302 N 1.55 0.45 -0.87 0.00 0.00 -0.81 -0.34 119.26 119.23 3m1r h ALA 302 Ca 0.21 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3m1r h ALA 302 Cb 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3m1r h ALA 302 CO -0.04 0.19 0.58 0.00 0.00 0.00 0.00 179.25 179.98 3m1r h ALA 303 N 0.87 1.42 -0.11 0.00 0.00 -0.39 -1.54 119.26 119.50 3m1r h ALA 303 Ca 0.10 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3m1r h ALA 303 Cb 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m1r h ALA 303 CO 0.01 0.52 -0.52 0.45 0.00 0.00 0.00 179.25 179.71 3m1r h HIS 304 N 1.14 0.38 -0.88 0.00 3.86 -0.81 -1.01 115.15 117.83 3m1r h HIS 304 Ca 0.33 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3m1r h HIS 304 Cb -0.05 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 3m1r h HIS 304 CO -0.00 0.76 0.57 0.28 0.86 0.00 0.00 177.93 180.40 3m1r h VAL 305 N 0.24 1.17 -0.46 2.45 2.07 -0.22 -0.51 116.25 120.99 3m1r h VAL 305 Ca 0.01 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 3m1r h VAL 305 Cb 0.99 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3m1r h VAL 305 CO 0.08 0.21 -0.13 -0.07 0.02 0.00 0.00 177.57 177.68 3m1r h LEU 306 N 1.13 0.91 -0.72 2.57 4.07 -1.00 -1.58 115.31 120.68 3m1r h LEU 306 Ca 0.34 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3m1r h LEU 306 Cb -0.04 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.42 3m1r h LEU 306 CO -0.10 1.07 0.46 -0.07 -1.08 0.00 0.00 178.44 178.72 3m1r h LEU 307 N 0.73 0.84 -0.72 1.67 3.38 -0.53 -1.34 115.31 119.35 3m1r h LEU 307 Ca 0.11 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3m1r h LEU 307 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3m1r h LEU 307 CO 0.05 0.63 -0.60 0.45 0.09 0.00 0.00 178.44 179.06 3m1r h HIS 308 N 0.98 0.17 -0.25 1.13 3.86 -1.02 -1.18 115.15 118.83 3m1r h HIS 308 Ca 0.26 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3m1r h HIS 308 Cb -0.08 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3m1r h HIS 308 CO -0.02 0.70 0.12 0.00 0.86 0.00 0.00 177.93 179.59 3m1r h ALA 309 N 1.29 0.33 -0.34 2.45 0.00 -0.87 -0.94 119.26 121.17 3m1r h ALA 309 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3m1r h ALA 309 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3m1r h ALA 309 CO 0.09 -0.11 0.20 -0.07 0.00 0.00 0.00 179.25 179.36 3m1r h LEU 310 N 0.28 0.42 -0.84 0.00 -0.00 -0.99 -2.60 115.31 111.57 3m1r h LEU 310 Ca 0.09 -0.07 0.14 0.00 -0.00 0.00 0.00 57.88 58.04 3m1r h LEU 310 Cb 0.12 -0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 40.58 3m1r h LEU 310 CO -0.01 0.36 0.43 0.50 -0.00 0.00 0.00 178.44 179.72 3m1r h LYS 311 N 0.44 0.61 -0.43 1.13 3.64 -1.10 0.39 116.57 121.24 3m1r h LYS 311 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3m1r h LYS 311 Cb 0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3m1r h LYS 311 CO -0.02 0.40 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 3m1r n GLY 312 N -1.32 0.33 1.74 5.01 0.00 -0.37 -2.26 105.19 108.32 3m1r n GLY 312 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3m1r n GLY 312 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m1r n LYS 314 N 0.47 0.00 -0.34 1.61 3.00 0.14 -2.12 118.16 120.91 3m1r n LYS 314 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 3m1r n LYS 314 Cb 0.06 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.39 3m1r n LYS 314 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3m1r n LEU 315 N 0.00 3.88 -4.73 3.14 7.94 -0.96 -4.96 117.00 121.32 3m1r n LEU 315 Ca 0.00 -1.91 -0.30 0.00 -1.11 0.00 0.00 56.01 52.69 3m1r n LEU 315 Cb 0.00 -0.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.43 3m1r n LEU 315 CO 0.00 0.95 -0.30 -0.55 -1.11 0.00 0.00 177.39 176.38 3m1r s SER 316 N -1.09 5.26 0.00 1.96 0.15 -0.90 -5.00 113.70 114.08 3m1r s SER 316 Ca 0.47 -0.10 0.10 0.00 0.70 0.00 0.00 55.95 57.13 3m1r s SER 316 Cb 0.25 -1.33 0.58 0.00 -1.71 0.00 0.00 66.02 63.81 3m1r s SER 316 CO 0.33 0.18 1.03 -2.65 1.20 0.00 0.00 173.24 173.33