#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv8 s VAL 4 N 0.00 1.19 -0.13 1.69 1.01 -1.26 -1.35 120.40 121.55 3mv8 s VAL 4 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3mv8 s VAL 4 Cb 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3mv8 s VAL 4 CO 0.00 0.33 -0.14 0.42 0.00 0.00 0.00 175.10 175.71 3mv8 s THR 5 N 1.63 1.52 -0.06 3.92 -4.23 -0.06 -4.28 115.64 114.08 3mv8 s THR 5 Ca 0.04 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3mv8 s THR 5 Cb -0.13 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 3mv8 s THR 5 CO -0.09 0.45 0.04 -1.10 -0.54 0.00 0.00 174.62 173.38 3mv8 s GLN 6 N 1.28 3.04 -0.02 3.99 -0.21 -1.26 -0.01 119.66 126.47 3mv8 s GLN 6 Ca 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 3mv8 s GLN 6 Cb -0.14 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.03 3mv8 s GLN 6 CO -0.07 0.69 0.09 -1.54 -2.12 0.00 0.00 175.29 172.34 3mv8 s SER 7 N -1.16 -0.03 0.75 5.90 1.04 -0.85 -4.47 113.70 114.87 3mv8 s SER 7 Ca 0.16 0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 3mv8 s SER 7 Cb -0.12 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.25 3mv8 s SER 7 CO 0.06 -0.13 1.11 -2.16 0.98 0.00 0.00 173.24 173.10 3mv8 s PRO 8 N -0.40 2.30 0.12 4.02 0.04 -1.26 -0.63 135.00 139.18 3mv8 s PRO 8 Ca -0.05 0.12 -0.15 0.00 0.04 0.00 0.00 61.00 60.96 3mv8 s PRO 8 Cb -0.03 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3mv8 s PRO 8 CO 0.00 -1.33 1.56 1.49 0.04 0.00 0.00 177.00 178.76 3mv8 h GLU 9 N -0.81 0.69 -4.66 4.56 4.81 -1.82 -3.40 114.58 113.96 3mv8 h GLU 9 Ca -0.45 -0.23 -0.38 0.00 -0.13 0.00 0.00 59.36 58.17 3mv8 h GLU 9 Cb 1.30 -0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 3mv8 h GLU 9 CO 0.64 0.79 -0.77 0.00 -0.73 0.00 0.00 179.01 178.94 3mv8 s ALA 10 N -4.96 0.70 -0.11 2.92 0.00 -1.26 -1.42 121.76 117.62 3mv8 s ALA 10 Ca -0.13 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3mv8 s ALA 10 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3mv8 s ALA 10 CO 0.79 0.17 -0.20 -0.51 0.00 0.00 0.00 175.76 176.01 3mv8 s LEU 11 N -0.19 2.31 -0.47 0.00 1.43 0.26 -4.91 118.68 117.11 3mv8 s LEU 11 Ca 0.03 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3mv8 s LEU 11 Cb -0.03 -1.48 0.12 0.00 0.03 0.00 0.00 46.19 44.83 3mv8 s LEU 11 CO -0.00 0.16 0.21 -0.13 0.23 0.00 0.00 176.35 176.82 3mv8 s ARG 12 N 0.35 1.84 0.14 1.70 1.81 -1.26 -1.13 118.95 122.39 3mv8 s ARG 12 Ca -0.16 -2.43 0.05 0.00 -1.72 0.00 0.00 55.73 51.47 3mv8 s ARG 12 Cb -0.17 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 3mv8 s ARG 12 CO 0.08 -1.07 0.05 -0.51 -0.68 0.00 0.00 175.30 173.17 3mv8 s LEU 13 N 0.01 3.57 0.27 2.53 1.02 -0.82 -4.99 118.68 120.26 3mv8 s LEU 13 Ca 0.16 -0.21 -0.18 0.00 0.02 0.00 0.00 54.13 53.92 3mv8 s LEU 13 Cb -0.24 -2.23 -0.09 0.00 0.02 0.00 0.00 46.19 43.65 3mv8 s LEU 13 CO -0.02 0.11 0.74 -1.10 0.02 0.00 0.00 176.35 176.10 3mv8 s GLN 14 N -2.77 4.16 0.06 1.70 -1.52 -1.26 0.52 119.66 120.55 3mv8 s GLN 14 Ca 0.28 0.80 -0.37 0.00 -1.95 0.00 0.00 55.36 54.13 3mv8 s GLN 14 Cb -0.10 -2.69 -0.17 0.00 -0.22 0.00 0.00 33.01 29.83 3mv8 s GLN 14 CO 0.20 0.29 1.34 -1.91 -0.25 0.00 0.00 175.29 174.96 3mv8 n GLU 15 N 0.27 1.05 -0.03 2.91 2.13 0.55 -1.17 120.64 126.35 3mv8 n GLU 15 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3mv8 n GLU 15 Cb 0.52 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3mv8 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mv8 n GLY 16 N 2.51 1.57 3.48 8.31 0.00 -0.10 -4.86 105.19 116.10 3mv8 n GLY 16 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3mv8 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv8 s GLU 17 N -0.46 3.22 0.63 1.61 2.12 -0.32 -4.25 118.70 121.26 3mv8 s GLU 17 Ca 0.00 -0.59 -0.17 0.00 0.36 0.00 0.00 54.97 54.57 3mv8 s GLU 17 Cb 0.00 -4.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 3mv8 s GLU 17 CO 0.00 -1.40 1.17 -1.12 -0.54 0.00 0.00 175.26 173.38 3mv8 s SER 18 N 2.85 5.05 0.13 -1.70 0.01 -1.26 -4.46 113.70 114.31 3mv8 s SER 18 Ca 0.23 2.26 -0.21 0.00 1.31 0.00 0.00 55.95 59.54 3mv8 s SER 18 Cb -0.16 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.55 3mv8 s SER 18 CO 0.15 -1.68 0.54 -0.55 0.41 0.00 0.00 173.24 172.11 3mv8 s SER 19 N -1.93 -0.46 -0.08 2.44 0.15 -0.82 -4.97 113.70 108.02 3mv8 s SER 19 Ca 0.74 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.37 3mv8 s SER 19 Cb -0.27 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3mv8 s SER 19 CO 0.36 -0.89 -0.13 -0.94 1.20 0.00 0.00 173.24 172.84 3mv8 s SER 20 N -2.60 2.05 -0.16 5.45 1.04 -1.26 -0.81 113.70 117.41 3mv8 s SER 20 Ca 0.00 -0.35 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 3mv8 s SER 20 Cb -0.00 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 3mv8 s SER 20 CO -0.10 0.03 0.50 -0.76 0.98 0.00 0.00 173.24 173.89 3mv8 s LEU 21 N 0.79 4.21 0.17 2.42 1.02 0.06 -4.88 118.68 122.48 3mv8 s LEU 21 Ca -0.12 0.76 -0.19 0.00 0.02 0.00 0.00 54.13 54.60 3mv8 s LEU 21 Cb -0.16 -2.71 -0.08 0.00 0.02 0.00 0.00 46.19 43.27 3mv8 s LEU 21 CO 0.02 -0.09 0.66 0.21 0.02 0.00 0.00 176.35 177.17 3mv8 s ASN 22 N 0.88 7.03 -0.18 2.29 2.47 0.20 -1.18 114.94 126.44 3mv8 s ASN 22 Ca 0.25 1.32 -0.04 0.00 0.42 0.00 0.00 52.86 54.82 3mv8 s ASN 22 Cb -0.15 -2.38 0.06 0.00 -1.45 0.00 0.00 41.25 37.32 3mv8 s ASN 22 CO 0.10 0.11 0.06 0.00 -3.72 0.00 0.00 177.10 173.64 3mv8 s SER 24 N 1.98 6.60 0.01 0.00 0.01 0.98 -0.18 113.70 123.10 3mv8 s SER 24 Ca 0.01 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.97 3mv8 s SER 24 Cb -0.16 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 3mv8 s SER 24 CO -0.08 0.29 -0.02 -0.72 0.41 0.00 0.00 173.24 173.12 3mv8 s TYR 25 N -1.21 0.13 -0.07 2.43 1.13 -0.74 -0.88 117.35 118.15 3mv8 s TYR 25 Ca 0.25 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.69 3mv8 s TYR 25 Cb -0.14 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.63 3mv8 s TYR 25 CO 0.13 -0.09 -0.14 0.95 -2.51 0.00 0.00 175.55 173.90 3mv8 s THR 26 N -0.69 1.24 -0.07 -3.49 -4.23 -0.45 -4.76 115.64 103.19 3mv8 s THR 26 Ca -0.07 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.72 3mv8 s THR 26 Cb -0.05 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.71 3mv8 s THR 26 CO -0.00 0.38 0.39 0.54 -0.54 0.00 0.00 174.62 175.38 3mv8 s VAL 27 N 0.56 0.03 0.13 2.29 0.11 -1.26 -4.79 120.40 117.46 3mv8 s VAL 27 Ca -0.14 -0.24 -0.25 0.00 -2.93 0.00 0.00 61.98 58.42 3mv8 s VAL 27 Cb -0.15 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3mv8 s VAL 27 CO 0.04 -0.13 1.64 0.28 -3.33 0.00 0.00 175.10 173.60 3mv8 h SER 28 N 4.40 -0.75 -3.44 3.54 0.02 -1.98 -3.44 113.55 111.91 3mv8 h SER 28 Ca -0.28 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3mv8 h SER 28 Cb 1.17 0.31 -0.23 0.00 0.14 0.00 0.00 62.40 63.79 3mv8 h SER 28 CO 0.34 -0.31 -0.12 -0.83 -1.14 0.00 0.00 176.83 174.77 3mv8 s GLY 29 N -2.56 -0.45 -0.29 -3.77 0.00 -1.26 -4.96 107.32 94.02 3mv8 s GLY 29 Ca -0.15 1.80 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 3mv8 s GLY 29 CO 0.66 1.76 1.41 -2.27 0.00 0.00 0.00 173.10 174.66 3mv8 s LEU 30 N 1.04 3.84 -0.13 0.66 0.20 -1.26 0.16 118.68 123.18 3mv8 s LEU 30 Ca -0.06 1.27 -0.27 0.00 0.69 0.00 0.00 54.13 55.76 3mv8 s LEU 30 Cb -0.06 -3.54 -0.26 0.00 -0.43 0.00 0.00 46.19 41.90 3mv8 s LEU 30 CO -0.10 -1.19 0.73 -0.09 -0.29 0.00 0.00 176.35 175.42 3mv8 h ARG 31 N 9.94 0.06 -1.64 1.98 2.43 -1.29 -3.44 114.38 122.42 3mv8 h ARG 31 Ca -0.28 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3mv8 h ARG 31 Cb 1.11 0.04 -0.25 0.00 -0.42 0.00 0.00 29.97 30.45 3mv8 h ARG 31 CO 1.03 1.05 0.43 0.20 -1.51 0.00 0.00 179.97 181.17 3mv8 s GLY 32 N -4.35 -0.21 -0.15 2.80 0.00 -1.18 -4.85 107.32 99.39 3mv8 s GLY 32 Ca -0.19 2.50 -0.05 0.00 0.00 0.00 0.00 44.72 46.98 3mv8 s GLY 32 CO 0.71 1.70 0.02 -2.27 0.00 0.00 0.00 173.10 173.26 3mv8 s LEU 39 N 0.03 3.63 0.05 0.66 1.98 -0.26 -0.27 118.68 124.51 3mv8 s LEU 39 Ca 0.02 0.05 0.09 0.00 -2.89 0.00 0.00 54.13 51.40 3mv8 s LEU 39 Cb -0.04 -1.89 -0.03 0.00 0.66 0.00 0.00 46.19 44.89 3mv8 s LEU 39 CO -0.04 0.23 -0.25 -0.36 -1.89 0.00 0.00 176.35 174.04 3mv8 s PHE 40 N 0.03 2.20 -0.06 5.38 0.08 0.28 -0.82 117.98 125.07 3mv8 s PHE 40 Ca 0.04 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.74 3mv8 s PHE 40 Cb -0.13 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3mv8 s PHE 40 CO 0.02 0.14 -0.24 -1.58 -0.10 0.00 0.00 175.22 173.46 3mv8 s TRP 41 N -0.83 2.35 0.10 0.36 0.52 -0.38 -1.29 118.94 119.77 3mv8 s TRP 41 Ca 0.11 -0.74 0.05 0.00 0.02 0.00 0.00 56.10 55.54 3mv8 s TRP 41 Cb -0.10 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3mv8 s TRP 41 CO 0.02 -0.24 -0.13 0.71 0.02 0.00 0.00 176.95 177.33 3mv8 s TYR 42 N -0.05 1.26 -0.10 -1.98 1.51 0.38 -1.40 117.35 116.97 3mv8 s TYR 42 Ca -0.06 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3mv8 s TYR 42 Cb -0.14 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 3mv8 s TYR 42 CO 0.04 0.08 -0.15 0.50 -1.11 0.00 0.00 175.55 174.92 3mv8 s ARG 43 N -2.45 3.05 -0.19 -0.62 3.52 0.26 -0.58 118.95 121.94 3mv8 s ARG 43 Ca 0.05 -0.72 -0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3mv8 s ARG 43 Cb -0.06 -2.50 0.05 0.00 -1.56 0.00 0.00 34.95 30.88 3mv8 s ARG 43 CO 0.02 0.34 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.65 3mv8 s GLN 44 N -0.00 1.57 0.53 5.12 0.74 -0.31 0.77 119.66 128.08 3mv8 s GLN 44 Ca -0.05 -0.69 -0.10 0.00 0.05 0.00 0.00 55.36 54.57 3mv8 s GLN 44 Cb -0.14 -2.24 -0.05 0.00 1.10 0.00 0.00 33.01 31.68 3mv8 s GLN 44 CO 0.04 -0.48 0.91 -0.51 -0.55 0.00 0.00 175.29 174.71 3mv8 s ASP 45 N 1.54 6.34 0.21 6.67 1.01 -1.26 -1.58 116.67 129.59 3mv8 s ASP 45 Ca -0.01 1.26 -0.32 0.00 0.71 0.00 0.00 52.55 54.18 3mv8 s ASP 45 Cb -0.16 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 3mv8 s ASP 45 CO -0.07 -0.67 1.72 -2.65 0.21 0.00 0.00 175.17 173.70 3mv8 n PRO 46 N -2.22 2.76 -1.06 8.23 -0.02 -1.26 -1.82 135.00 139.61 3mv8 n PRO 46 Ca 0.04 0.99 -0.02 0.00 -2.02 0.00 0.00 63.50 62.49 3mv8 n PRO 46 Cb 0.54 -2.84 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3mv8 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mv8 n GLY 47 N 3.89 0.55 3.46 -1.23 0.00 -1.26 -5.02 105.19 105.57 3mv8 n GLY 47 Ca 0.16 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 3mv8 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv8 s LYS 48 N -1.33 1.61 0.51 1.61 3.01 -0.75 -5.15 119.74 119.24 3mv8 s LYS 48 Ca 0.00 -1.80 -0.08 0.00 -1.01 0.00 0.00 55.97 53.09 3mv8 s LYS 48 Cb 0.00 -1.40 -0.04 0.00 -1.01 0.00 0.00 37.83 35.38 3mv8 s LYS 48 CO 0.00 0.13 0.85 0.20 0.51 0.00 0.00 175.35 177.04 3mv8 s GLY 49 N -3.48 1.61 0.17 -3.33 0.00 -1.26 -4.63 107.32 96.39 3mv8 s GLY 49 Ca 0.29 -0.35 -0.34 0.00 0.00 0.00 0.00 44.72 44.33 3mv8 s GLY 49 CO 0.13 -0.15 1.61 -1.05 0.00 0.00 0.00 173.10 173.63 3mv8 n PRO 50 N -2.24 2.27 -4.20 2.90 -0.02 -1.26 -4.62 135.00 127.83 3mv8 n PRO 50 Ca 0.02 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 3mv8 n PRO 50 Cb 0.55 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 3mv8 n PRO 50 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mv8 s GLU 51 N 0.98 3.76 0.24 -0.52 2.12 0.23 -4.89 118.70 120.63 3mv8 s GLU 51 Ca 0.78 -0.46 -0.31 0.00 0.36 0.00 0.00 54.97 55.34 3mv8 s GLU 51 Cb -0.65 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 30.57 3mv8 s GLU 51 CO 0.37 0.20 1.60 0.34 -0.54 0.00 0.00 175.26 177.23 3mv8 n PHE 52 N 3.69 2.65 0.00 5.30 -0.00 -1.26 -0.57 117.46 127.27 3mv8 n PHE 52 Ca -0.17 0.22 -0.00 0.00 -0.00 0.00 0.00 57.45 57.50 3mv8 n PHE 52 Cb 0.52 -2.59 -0.00 0.00 -0.00 0.00 0.00 39.48 37.41 3mv8 n PHE 52 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3mv8 n LEU 53 N 2.85 0.20 -3.97 -2.13 4.77 -0.49 -4.85 117.00 113.39 3mv8 n LEU 53 Ca 0.12 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3mv8 n LEU 53 Cb 0.34 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3mv8 n LEU 53 CO 0.64 -0.52 -0.32 -0.36 -1.33 0.00 0.00 177.39 175.49 3mv8 s PHE 54 N -1.19 0.24 0.05 -1.77 0.08 -1.08 -4.99 117.98 109.32 3mv8 s PHE 54 Ca -0.01 -0.51 0.08 0.00 0.12 0.00 0.00 56.93 56.62 3mv8 s PHE 54 Cb 0.00 -0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 3mv8 s PHE 54 CO 0.01 -0.23 -0.22 0.95 -0.10 0.00 0.00 175.22 175.64 3mv8 s THR 55 N -1.68 2.50 -0.01 0.64 -4.23 -1.26 -1.25 115.64 110.35 3mv8 s THR 55 Ca -0.14 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3mv8 s THR 55 Cb -0.08 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3mv8 s THR 55 CO -0.01 0.33 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.59 3mv8 s LEU 56 N -1.41 1.85 -0.08 4.79 1.43 0.00 -4.93 118.68 120.32 3mv8 s LEU 56 Ca 0.13 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3mv8 s LEU 56 Cb -0.10 -0.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 3mv8 s LEU 56 CO 0.04 0.03 -0.04 -1.22 0.23 0.00 0.00 176.35 175.39 3mv8 n TYR 57 N 3.20 0.00 -4.23 0.29 4.02 -1.26 -1.10 117.16 118.07 3mv8 n TYR 57 Ca -0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 3mv8 n TYR 57 Cb 0.57 -0.35 -0.12 0.00 -0.02 0.00 0.00 39.34 39.41 3mv8 n TYR 57 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3mv8 s SER 58 N -4.51 1.80 -0.02 7.72 1.04 -1.26 -4.83 113.70 113.65 3mv8 s SER 58 Ca -0.09 -0.59 -0.37 0.00 0.48 0.00 0.00 55.95 55.38 3mv8 s SER 58 Cb 0.03 -0.08 -0.15 0.00 0.10 0.00 0.00 66.02 65.92 3mv8 s SER 58 CO 0.24 -0.03 1.54 0.00 0.98 0.00 0.00 173.24 175.97 3mv8 n ALA 59 N 1.39 -0.18 -0.10 5.32 0.00 -1.26 -1.49 120.51 124.18 3mv8 n ALA 59 Ca -0.20 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3mv8 n ALA 59 Cb 0.54 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3mv8 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mv8 n GLY 60 N 3.31 0.53 3.75 0.00 0.00 0.40 -5.00 105.19 108.18 3mv8 n GLY 60 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3mv8 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv8 s GLU 61 N -0.86 4.75 0.03 1.61 2.12 -0.56 -4.89 118.70 120.91 3mv8 s GLU 61 Ca 0.00 1.65 0.05 0.00 0.36 0.00 0.00 54.97 57.02 3mv8 s GLU 61 Cb 0.00 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3mv8 s GLU 61 CO 0.00 0.36 -0.14 -1.21 -0.54 0.00 0.00 175.26 173.73 3mv8 s GLU 66 N -1.29 0.98 -0.01 4.30 2.02 -1.26 -2.72 118.70 120.72 3mv8 s GLU 66 Ca 0.43 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.70 3mv8 s GLU 66 Cb -0.29 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 32.96 3mv8 s GLU 66 CO 0.36 0.25 -0.02 0.15 0.02 0.00 0.00 175.26 176.03 3mv8 s LYS 67 N -1.01 0.20 -0.02 1.61 1.02 -0.53 -5.01 119.74 116.00 3mv8 s LYS 67 Ca 0.02 -0.04 0.02 0.00 0.02 0.00 0.00 55.97 56.00 3mv8 s LYS 67 Cb -0.07 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 3mv8 s LYS 67 CO 0.01 0.00 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.37 3mv8 s GLU 68 N 0.21 0.76 -0.19 1.68 2.12 -1.26 -0.66 118.70 121.36 3mv8 s GLU 68 Ca -0.02 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.04 3mv8 s GLU 68 Cb -0.04 -0.73 0.07 0.00 0.26 0.00 0.00 34.13 33.69 3mv8 s GLU 68 CO -0.01 0.08 0.11 0.21 -0.54 0.00 0.00 175.26 175.11 3mv8 s LYS 69 N 0.23 0.09 5.63 4.30 2.20 -0.32 -5.02 119.74 126.85 3mv8 s LYS 69 Ca -0.03 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3mv8 s LYS 69 Cb -0.08 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 3mv8 s LYS 69 CO 0.00 -0.71 0.00 0.39 -0.36 0.00 0.00 175.35 174.67 3mv8 n GLU 70 N 5.28 0.00 0.00 4.03 1.02 -1.26 -2.11 120.64 127.60 3mv8 n GLU 70 Ca -0.07 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.21 3mv8 n GLU 70 Cb 0.48 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 32.53 3mv8 n GLU 70 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mv8 n ARG 78 N 10.56 0.33 -4.29 3.49 1.74 -1.26 -4.80 116.66 122.43 3mv8 n ARG 78 Ca 0.00 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 3mv8 n ARG 78 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 3mv8 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mv8 s LEU 79 N -2.71 3.53 -0.03 0.55 1.43 -0.90 -1.06 118.68 119.49 3mv8 s LEU 79 Ca 0.23 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3mv8 s LEU 79 Cb 0.20 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3mv8 s LEU 79 CO 0.51 0.25 -0.04 -0.75 0.23 0.00 0.00 176.35 176.56 3mv8 s LYS 80 N -0.14 0.58 -0.09 1.70 2.20 -0.10 -1.17 119.74 122.72 3mv8 s LYS 80 Ca 0.05 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 3mv8 s LYS 80 Cb -0.13 -0.62 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3mv8 s LYS 80 CO 0.02 -0.03 -0.22 0.00 -0.36 0.00 0.00 175.35 174.76 3mv8 s ALA 81 N 0.62 2.28 0.30 3.13 0.00 0.16 0.50 121.76 128.74 3mv8 s ALA 81 Ca -0.07 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 50.99 3mv8 s ALA 81 Cb -0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3mv8 s ALA 81 CO -0.00 0.35 -0.10 0.95 0.00 0.00 0.00 175.76 176.95 3mv8 s THR 82 N 0.09 2.00 -0.03 0.00 -4.23 -0.55 -1.46 115.64 111.47 3mv8 s THR 82 Ca -0.10 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 3mv8 s THR 82 Cb -0.16 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3mv8 s THR 82 CO 0.06 -0.30 0.01 -0.22 -0.54 0.00 0.00 174.62 173.63 3mv8 s LEU 83 N -3.51 1.17 0.00 4.79 0.20 -1.10 -2.30 118.68 117.93 3mv8 s LEU 83 Ca 0.30 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 55.13 3mv8 s LEU 83 Cb 0.02 -0.19 0.02 0.00 -0.43 0.00 0.00 46.19 45.61 3mv8 s LEU 83 CO 0.14 -0.10 0.19 0.35 -0.29 0.00 0.00 176.35 176.64 3mv8 n THR 84 N 4.12 0.00 0.21 3.68 -2.24 0.12 -0.45 114.28 119.71 3mv8 n THR 84 Ca -0.27 -1.61 0.04 0.00 -2.27 0.00 0.00 64.05 59.94 3mv8 n THR 84 Cb 0.50 0.01 0.44 0.00 -2.10 0.00 0.00 70.33 69.18 3mv8 n THR 84 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3mv8 h LYS 0 N 0.00 0.00 0.00 -0.78 6.56 -1.97 -3.37 116.57 117.02 3mv8 h LYS 0 Ca -0.27 -0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.13 3mv8 h LYS 0 Cb 0.91 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.53 3mv8 h LYS 0 CO 0.43 0.27 -1.72 1.63 -2.06 0.00 0.00 179.45 178.00 3mv8 n LYS 85 N -4.22 2.08 -3.78 3.15 5.02 -1.26 -4.98 118.16 114.17 3mv8 n LYS 85 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3mv8 n LYS 85 Cb 0.32 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 3mv8 n LYS 85 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3mv8 s GLU 86 N -2.25 0.99 0.07 1.97 -1.05 -1.26 -1.80 118.70 115.37 3mv8 s GLU 86 Ca -0.07 -0.89 0.09 0.00 -0.15 0.00 0.00 54.97 53.96 3mv8 s GLU 86 Cb 0.03 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 3mv8 s GLU 86 CO 0.41 -0.35 -0.25 0.45 0.95 0.00 0.00 175.26 176.46 3mv8 s SER 87 N -2.85 3.06 -0.08 0.83 0.15 0.74 -0.70 113.70 114.85 3mv8 s SER 87 Ca 0.06 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.14 3mv8 s SER 87 Cb 0.03 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3mv8 s SER 87 CO -0.10 0.22 -0.23 -0.36 1.20 0.00 0.00 173.24 173.97 3mv8 s PHE 88 N -0.88 2.53 -0.45 3.44 0.08 -0.97 -0.94 117.98 120.78 3mv8 s PHE 88 Ca 0.11 -0.78 -0.13 0.00 0.12 0.00 0.00 56.93 56.26 3mv8 s PHE 88 Cb -0.10 -1.66 0.08 0.00 -0.57 0.00 0.00 43.02 40.77 3mv8 s PHE 88 CO 0.03 -0.25 0.34 -1.17 -0.10 0.00 0.00 175.22 174.07 3mv8 s LEU 89 N 0.00 5.45 -0.21 -0.37 2.96 -0.33 -1.48 118.68 124.71 3mv8 s LEU 89 Ca -0.08 -1.44 -0.22 0.00 -0.22 0.00 0.00 54.13 52.16 3mv8 s LEU 89 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3mv8 s LEU 89 CO 0.05 -0.61 0.71 -1.00 -1.32 0.00 0.00 176.35 174.19 3mv8 s HIS 90 N 1.54 3.36 -0.29 5.38 3.76 0.18 -0.76 115.29 128.46 3mv8 s HIS 90 Ca 0.04 1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 55.90 3mv8 s HIS 90 Cb -0.24 -2.90 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 3mv8 s HIS 90 CO 0.04 -0.25 0.10 0.42 -0.85 0.00 0.00 174.74 174.20 3mv8 s ILE 91 N 2.21 4.30 -0.15 0.60 1.01 0.01 -0.92 121.20 128.26 3mv8 s ILE 91 Ca 0.32 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 3mv8 s ILE 91 Cb -0.16 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3mv8 s ILE 91 CO 0.10 0.16 0.29 -0.89 0.00 0.00 0.00 174.94 174.60 3mv8 s THR 92 N 1.58 5.30 -1.15 2.92 2.01 -0.23 -1.95 115.64 124.12 3mv8 s THR 92 Ca 0.05 0.55 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 3mv8 s THR 92 Cb -0.16 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.76 3mv8 s THR 92 CO 0.04 0.41 0.66 0.00 -0.69 0.00 0.00 174.62 175.05 3mv8 n ALA 93 N 3.38 -2.65 -1.66 7.40 0.00 -1.26 -4.82 120.51 120.90 3mv8 n ALA 93 Ca -0.12 -0.55 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 3mv8 n ALA 93 Cb 0.52 -2.22 0.04 0.00 0.00 0.00 0.00 19.45 17.79 3mv8 n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mv8 s PRO 94 N -7.08 2.87 0.30 0.00 0.04 -1.26 -4.39 135.00 125.48 3mv8 s PRO 94 Ca 0.41 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.27 3mv8 s PRO 94 Cb -0.23 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3mv8 s PRO 94 CO 0.96 -1.26 0.05 0.15 0.04 0.00 0.00 177.00 176.94 3mv8 s LYS 95 N -3.52 2.30 0.40 4.56 1.02 -1.26 -0.92 119.74 122.33 3mv8 s LYS 95 Ca 0.75 -1.50 0.22 0.00 0.02 0.00 0.00 55.97 55.46 3mv8 s LYS 95 Cb -0.28 -2.14 1.20 0.00 -0.52 0.00 0.00 37.83 36.09 3mv8 s LYS 95 CO 0.35 0.25 1.71 -1.35 -0.92 0.00 0.00 175.35 175.39 3mv8 h PRO 96 N 1.76 0.28 0.00 -1.68 0.11 -1.92 0.16 132.00 130.71 3mv8 h PRO 96 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mv8 h PRO 96 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mv8 h PRO 96 CO 0.62 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 3mv8 n GLU 97 N -4.70 0.04 0.00 1.05 0.28 -1.26 -2.03 120.64 114.02 3mv8 n GLU 97 Ca 0.30 0.28 0.14 0.00 -0.16 0.00 0.00 57.16 57.72 3mv8 n GLU 97 Cb 1.06 -1.50 0.51 0.00 1.43 0.00 0.00 31.44 32.95 3mv8 n GLU 97 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3mv8 n ASP 98 N -1.44 0.70 -4.67 -1.84 10.43 0.57 -4.88 116.55 115.41 3mv8 n ASP 98 Ca 0.03 -0.70 -0.42 0.00 2.57 0.00 0.00 54.79 56.27 3mv8 n ASP 98 Cb 0.12 0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.06 3mv8 n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mv8 s SER 99 N -2.49 6.57 -0.01 -2.24 0.01 -0.86 -4.91 113.70 109.77 3mv8 s SER 99 Ca 0.27 2.47 -0.29 0.00 1.31 0.00 0.00 55.95 59.71 3mv8 s SER 99 Cb 0.20 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.99 3mv8 s SER 99 CO 0.49 -0.96 1.29 0.00 0.41 0.00 0.00 173.24 174.47 3mv8 s ALA 100 N 3.74 -2.40 -0.20 1.44 0.00 -0.56 -4.96 121.76 118.82 3mv8 s ALA 100 Ca 0.79 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 3mv8 s ALA 100 Cb -0.39 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 3mv8 s ALA 100 CO 0.34 -1.12 0.20 0.99 0.00 0.00 0.00 175.76 176.17 3mv8 s THR 101 N -2.11 5.36 -0.28 0.00 2.01 -0.62 0.13 115.64 120.13 3mv8 s THR 101 Ca 0.25 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 3mv8 s THR 101 Cb 0.01 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3mv8 s THR 101 CO -0.01 0.39 0.14 -0.31 -0.69 0.00 0.00 174.62 174.14 3mv8 s TYR 102 N 0.65 3.17 -0.17 4.92 2.02 -0.00 -1.16 117.35 126.77 3mv8 s TYR 102 Ca 0.11 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3mv8 s TYR 102 Cb -0.12 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3mv8 s TYR 102 CO 0.02 -0.29 0.08 -0.51 -1.57 0.00 0.00 175.55 173.28 3mv8 s LEU 103 N 1.68 3.96 -0.03 -1.29 1.43 0.26 -1.68 118.68 123.01 3mv8 s LEU 103 Ca 0.06 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3mv8 s LEU 103 Cb -0.16 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3mv8 s LEU 103 CO 0.08 0.22 0.06 0.00 0.23 0.00 0.00 176.35 176.94 3mv8 s ALA 105 N -1.09 -0.80 0.07 0.00 0.00 -0.41 -0.64 121.76 118.89 3mv8 s ALA 105 Ca 0.19 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3mv8 s ALA 105 Cb -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3mv8 s ALA 105 CO 0.10 -0.31 -0.16 0.14 0.00 0.00 0.00 175.76 175.53 3mv8 s VAL 106 N -1.68 1.28 0.03 0.00 -7.23 -0.73 0.10 120.40 112.17 3mv8 s VAL 106 Ca -0.11 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3mv8 s VAL 106 Cb -0.04 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 3mv8 s VAL 106 CO 0.02 -0.12 0.02 -1.10 -0.31 0.00 0.00 175.10 173.61 3mv8 s GLN 107 N -1.64 2.78 -0.11 4.82 -0.21 0.62 -1.60 119.66 124.32 3mv8 s GLN 107 Ca 0.01 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.73 3mv8 s GLN 107 Cb -0.10 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 3mv8 s GLN 107 CO 0.03 0.60 -0.11 0.34 -2.12 0.00 0.00 175.29 174.02 3mv8 s ASP 108 N -1.89 4.19 0.55 5.90 3.68 -1.26 -0.87 116.67 126.97 3mv8 s ASP 108 Ca 0.23 -0.25 0.33 0.00 2.13 0.00 0.00 52.55 54.99 3mv8 s ASP 108 Cb -0.12 -1.47 1.57 0.00 -1.45 0.00 0.00 42.92 41.45 3mv8 s ASP 108 CO 0.15 0.21 2.08 -0.07 0.13 0.00 0.00 175.17 177.67 3mv8 h LEU 109 N 6.35 0.00 -0.61 -1.34 4.07 -0.58 -2.59 115.31 120.61 3mv8 h LEU 109 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3mv8 h LEU 109 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3mv8 h LEU 109 CO 0.56 0.07 -0.02 0.61 -1.08 0.00 0.00 178.44 178.57 3mv8 n GLY 110 N -0.45 -0.39 3.25 0.83 0.00 -1.26 -4.84 105.19 102.35 3mv8 n GLY 110 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3mv8 n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mv8 s THR 111 N -2.07 1.74 0.79 2.61 -4.23 -0.98 -5.11 115.64 108.40 3mv8 s THR 111 Ca 0.39 -1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 3mv8 s THR 111 Cb 0.21 -1.48 0.07 0.00 1.34 0.00 0.00 72.50 72.64 3mv8 s THR 111 CO 0.37 0.36 1.09 -0.44 -0.54 0.00 0.00 174.62 175.45 3mv8 s SER 112 N -0.86 4.38 0.24 3.99 0.01 -1.26 -4.78 113.70 115.41 3mv8 s SER 112 Ca 0.08 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3mv8 s SER 112 Cb -0.09 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3mv8 s SER 112 CO 0.01 -2.10 0.00 0.61 0.41 0.00 0.00 173.24 172.17 3mv8 n GLY 113 N -1.29 -1.37 0.77 3.44 0.00 -1.26 -4.56 105.19 100.92 3mv8 n GLY 113 Ca 0.08 -1.26 0.06 0.00 0.00 0.00 0.00 46.02 44.90 3mv8 n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mv8 n SER 114 N -0.34 1.56 -4.75 1.61 7.64 -1.26 -4.97 113.62 113.11 3mv8 n SER 114 Ca 0.00 -3.42 -0.37 0.00 1.01 0.00 0.00 58.87 56.09 3mv8 n SER 114 Cb 0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 3mv8 n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mv8 s ARG 115 N -2.45 3.19 -0.07 1.43 1.70 -1.26 -4.98 118.95 116.51 3mv8 s ARG 115 Ca 0.36 2.02 -0.04 0.00 -0.47 0.00 0.00 55.73 57.60 3mv8 s ARG 115 Cb 0.36 -2.18 -0.04 0.00 -0.57 0.00 0.00 34.95 32.53 3mv8 s ARG 115 CO -0.09 -1.08 0.12 -0.51 -1.08 0.00 0.00 175.30 172.66 3mv8 s LEU 116 N -3.61 4.17 -0.24 -1.89 1.43 -1.26 -4.41 118.68 112.87 3mv8 s LEU 116 Ca 0.72 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.10 3mv8 s LEU 116 Cb -0.35 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3mv8 s LEU 116 CO 0.41 0.35 0.01 -0.89 0.23 0.00 0.00 176.35 176.45 3mv8 s THR 117 N -1.11 3.67 0.22 5.49 2.01 -0.63 -4.93 115.64 120.37 3mv8 s THR 117 Ca 0.19 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 3mv8 s THR 117 Cb -0.12 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 3mv8 s THR 117 CO 0.09 0.33 0.49 -0.36 -0.69 0.00 0.00 174.62 174.48 3mv8 s PHE 118 N 1.51 3.45 0.86 4.92 0.40 -1.26 -1.77 117.98 126.09 3mv8 s PHE 118 Ca 0.05 0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 56.93 3mv8 s PHE 118 Cb -0.15 -2.13 0.20 0.00 0.51 0.00 0.00 43.02 41.45 3mv8 s PHE 118 CO -0.01 0.30 1.08 0.41 0.70 0.00 0.00 175.22 177.70 3mv8 n GLY 119 N -0.31 -1.68 0.17 4.36 0.00 0.18 -4.68 105.19 103.23 3mv8 n GLY 119 Ca -0.01 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.47 3mv8 n GLY 119 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mv8 n GLU 120 N -3.54 0.55 0.00 1.61 1.02 -1.26 -4.80 120.64 114.23 3mv8 n GLU 120 Ca 0.14 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3mv8 n GLU 120 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3mv8 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mv8 n GLY 121 N 1.40 0.02 3.15 0.62 0.00 -1.26 -4.94 105.19 104.17 3mv8 n GLY 121 Ca 0.10 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 3mv8 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mv8 s THR 122 N -2.82 2.70 -0.58 2.61 2.01 -0.67 -4.62 115.64 114.27 3mv8 s THR 122 Ca 0.00 -1.37 -0.26 0.00 0.31 0.00 0.00 61.69 60.38 3mv8 s THR 122 Cb 0.00 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 70.04 3mv8 s THR 122 CO 0.00 0.00 1.07 -1.58 -0.69 0.00 0.00 174.62 173.42 3mv8 s GLN 123 N 1.23 3.39 -0.22 4.92 -0.44 -0.51 -0.82 119.66 127.21 3mv8 s GLN 123 Ca -0.05 -0.06 -0.10 0.00 -2.50 0.00 0.00 55.36 52.65 3mv8 s GLN 123 Cb -0.19 -4.05 -0.05 0.00 -1.64 0.00 0.00 33.01 27.08 3mv8 s GLN 123 CO -0.03 -1.62 0.14 -1.17 0.50 0.00 0.00 175.29 173.10 3mv8 s LEU 124 N 4.49 4.10 -0.14 3.68 2.96 0.12 -0.58 118.68 133.31 3mv8 s LEU 124 Ca 0.36 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 3mv8 s LEU 124 Cb -0.10 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3mv8 s LEU 124 CO 0.21 0.11 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.27 3mv8 s THR 125 N 0.75 2.31 -0.36 3.68 2.01 -0.29 -1.49 115.64 122.25 3mv8 s THR 125 Ca 0.07 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 3mv8 s THR 125 Cb -0.13 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.45 3mv8 s THR 125 CO 0.02 0.54 0.24 -0.69 -0.69 0.00 0.00 174.62 174.04 3mv8 s VAL 126 N 0.70 5.09 -0.28 3.82 1.01 -1.26 -1.93 120.40 127.55 3mv8 s VAL 126 Ca -0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3mv8 s VAL 126 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3mv8 s VAL 126 CO 0.01 -0.13 1.46 0.21 0.00 0.00 0.00 175.10 176.65 3mv8 s ASN 127 N 1.67 6.49 0.41 3.32 2.47 0.18 -4.47 114.94 125.02 3mv8 s ASN 127 Ca 0.05 1.35 -0.25 0.00 0.42 0.00 0.00 52.86 54.43 3mv8 s ASN 127 Cb -0.18 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.00 3mv8 s ASN 127 CO 0.09 -1.21 1.23 -2.16 -3.72 0.00 0.00 177.10 171.34 3mv8 s PRO 128 N 4.50 3.97 0.36 0.43 0.04 -1.26 -0.33 135.00 142.70 3mv8 s PRO 128 Ca 0.64 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 63.39 3mv8 s PRO 128 Cb -0.20 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3mv8 s PRO 128 CO 0.27 -0.43 1.29 -0.80 0.04 0.00 0.00 177.00 177.37 3mv8 s ASN 129 N -0.97 6.63 -0.25 6.66 0.02 -1.26 -4.65 114.94 121.11 3mv8 s ASN 129 Ca 0.58 2.65 -0.02 0.00 -1.02 0.00 0.00 52.86 55.05 3mv8 s ASN 129 Cb -0.34 -2.64 0.03 0.00 0.02 0.00 0.00 41.25 38.31 3mv8 s ASN 129 CO 0.43 -0.63 -0.05 -0.63 0.02 0.00 0.00 177.10 176.24 3mv8 s ILE 130 N -1.19 2.93 0.02 0.60 -1.09 -1.26 -4.97 121.20 116.24 3mv8 s ILE 130 Ca 0.52 -1.04 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 3mv8 s ILE 130 Cb -0.39 -2.51 -0.16 0.00 -1.58 0.00 0.00 42.46 37.82 3mv8 s ILE 130 CO 0.51 0.17 1.23 1.56 -1.23 0.00 0.00 174.94 177.17 3mv8 h GLN 131 N 8.02 -0.93 -2.79 2.79 1.08 -1.96 -3.41 115.11 117.91 3mv8 h GLN 131 Ca -0.32 0.06 -0.61 0.00 -1.45 0.00 0.00 58.65 56.34 3mv8 h GLN 131 Cb 1.10 0.21 -0.40 0.00 -0.05 0.00 0.00 27.48 28.34 3mv8 h GLN 131 CO 0.57 -0.60 -0.77 -0.80 -0.95 0.00 0.00 178.83 176.29 3mv8 s ASN 132 N -4.45 3.26 0.23 1.46 -0.87 -1.26 -5.10 114.94 108.21 3mv8 s ASN 132 Ca -0.15 -3.19 -0.30 0.00 -1.57 0.00 0.00 52.86 47.65 3mv8 s ASN 132 Cb 0.02 -1.02 -0.10 0.00 -0.02 0.00 0.00 41.25 40.14 3mv8 s ASN 132 CO 0.48 -0.17 1.38 -2.16 -2.57 0.00 0.00 177.10 174.06 3mv8 s PRO 133 N -0.35 4.32 -0.47 -0.60 0.05 -1.26 -4.94 135.00 131.74 3mv8 s PRO 133 Ca 0.25 2.20 0.09 0.00 0.05 0.00 0.00 61.00 63.59 3mv8 s PRO 133 Cb -0.08 -3.14 0.35 0.00 0.05 0.00 0.00 34.50 31.68 3mv8 s PRO 133 CO -0.13 -0.35 0.85 -3.47 0.05 0.00 0.00 177.00 173.95 3mv8 n ASP 134 N 2.45 2.69 -4.67 6.66 4.64 0.10 -4.97 116.55 123.46 3mv8 n ASP 134 Ca 0.06 -3.35 -0.47 0.00 -1.38 0.00 0.00 54.79 49.65 3mv8 n ASP 134 Cb 0.41 -0.59 -0.05 0.00 -1.04 0.00 0.00 41.12 39.86 3mv8 n ASP 134 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3mv8 n PRO 135 N 0.01 2.05 -3.66 -0.67 -0.04 -1.07 -4.66 135.00 126.95 3mv8 n PRO 135 Ca 0.28 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 64.34 3mv8 n PRO 135 Cb 0.53 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 3mv8 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mv8 s ALA 136 N 1.87 -1.12 -0.26 0.55 0.00 -0.57 -0.34 121.76 121.88 3mv8 s ALA 136 Ca 0.84 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 3mv8 s ALA 136 Cb -0.72 0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.61 3mv8 s ALA 136 CO 0.43 -0.37 -0.05 0.08 0.00 0.00 0.00 175.76 175.86 3mv8 s VAL 137 N -1.79 2.91 0.16 0.00 1.01 -0.86 -0.91 120.40 120.92 3mv8 s VAL 137 Ca -0.09 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.85 3mv8 s VAL 137 Cb -0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3mv8 s VAL 137 CO 0.03 0.12 -0.02 -0.31 0.00 0.00 0.00 175.10 174.92 3mv8 s TYR 138 N 1.31 2.83 -0.25 5.22 2.02 -0.39 -4.42 117.35 123.66 3mv8 s TYR 138 Ca -0.01 -0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 3mv8 s TYR 138 Cb -0.17 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 3mv8 s TYR 138 CO -0.04 0.50 0.11 -1.14 -1.57 0.00 0.00 175.55 173.42 3mv8 s GLN 139 N -2.79 3.83 -0.00 -0.62 0.74 -1.26 -0.81 119.66 118.75 3mv8 s GLN 139 Ca 0.26 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.30 3mv8 s GLN 139 Cb -0.10 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 3mv8 s GLN 139 CO 0.18 -0.09 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.32 3mv8 s LEU 140 N 1.39 3.48 -0.05 3.68 1.02 -0.16 -4.97 118.68 123.07 3mv8 s LEU 140 Ca 0.06 -0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.23 3mv8 s LEU 140 Cb -0.15 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 3mv8 s LEU 140 CO 0.05 0.28 -0.17 -0.13 0.02 0.00 0.00 176.35 176.40 3mv8 s ARG 141 N -1.55 2.53 0.32 1.70 0.52 -1.26 -0.79 118.95 120.42 3mv8 s ARG 141 Ca 0.19 -0.75 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 3mv8 s ARG 141 Cb -0.11 -2.33 -0.13 0.00 0.52 0.00 0.00 34.95 32.89 3mv8 s ARG 141 CO 0.10 0.55 1.17 -3.47 0.02 0.00 0.00 175.30 173.67 3mv8 n ASP 142 N 2.50 2.13 0.16 0.23 2.03 -0.64 -4.93 116.55 118.03 3mv8 n ASP 142 Ca -0.17 1.20 0.03 0.00 0.52 0.00 0.00 54.79 56.37 3mv8 n ASP 142 Cb 0.52 -1.40 0.15 0.00 -0.72 0.00 0.00 41.12 39.67 3mv8 n ASP 142 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3mv8 h SER 143 N 2.32 0.00 0.51 1.67 4.64 -1.99 -3.42 113.55 117.28 3mv8 h SER 143 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 3mv8 h SER 143 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3mv8 h SER 143 CO 0.62 0.47 -0.25 0.50 -0.87 0.00 0.00 176.83 177.30 3mv8 h LYS 144 N 0.00 -0.67 -3.45 4.77 3.64 -1.99 -3.49 116.57 115.38 3mv8 h LYS 144 Ca -0.00 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3mv8 h LYS 144 Cb 1.20 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 3mv8 h LYS 144 CO 0.06 -0.44 0.02 0.45 -2.27 0.00 0.00 179.45 177.27 3mv8 s SER 145 N -3.22 0.03 -0.46 4.20 0.15 -1.26 -5.14 113.70 108.00 3mv8 s SER 145 Ca -0.10 -0.97 0.08 0.00 0.70 0.00 0.00 55.95 55.66 3mv8 s SER 145 Cb 0.01 0.68 0.29 0.00 -1.71 0.00 0.00 66.02 65.29 3mv8 s SER 145 CO 0.30 -1.31 0.68 -0.24 1.20 0.00 0.00 173.24 173.87 3mv8 n SER 146 N -0.73 1.63 -1.73 5.45 2.88 -1.26 -4.97 113.62 114.89 3mv8 n SER 146 Ca -0.03 -3.06 -0.19 0.00 -1.33 0.00 0.00 58.87 54.26 3mv8 n SER 146 Cb 0.61 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 3mv8 n SER 146 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3mv8 n ASP 147 N 0.75 -5.33 -4.81 -3.46 9.92 -1.26 -4.99 116.55 107.37 3mv8 n ASP 147 Ca 0.25 0.27 -0.34 0.00 -0.53 0.00 0.00 54.79 54.44 3mv8 n ASP 147 Cb 0.52 -4.44 -0.07 0.00 -0.64 0.00 0.00 41.12 36.49 3mv8 n ASP 147 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3mv8 s LYS 148 N -4.15 4.33 0.14 -1.24 1.02 -1.26 -4.99 119.74 113.59 3mv8 s LYS 148 Ca 0.00 1.17 -0.06 0.00 0.02 0.00 0.00 55.97 57.10 3mv8 s LYS 148 Cb 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3mv8 s LYS 148 CO 0.00 0.06 0.19 -1.54 -0.92 0.00 0.00 175.35 173.14 3mv8 s SER 149 N -2.02 0.15 0.05 2.83 1.04 -1.26 -1.62 113.70 112.87 3mv8 s SER 149 Ca 0.58 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 56.05 3mv8 s SER 149 Cb -0.12 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3mv8 s SER 149 CO 0.16 -0.82 -0.07 -0.69 0.98 0.00 0.00 173.24 172.80 3mv8 s VAL 150 N -3.99 0.56 -0.15 5.02 1.01 0.03 -4.78 120.40 118.10 3mv8 s VAL 150 Ca 0.19 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 3mv8 s VAL 150 Cb 0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3mv8 s VAL 150 CO -0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 175.10 174.50 3mv8 s LEU 152 N 0.49 3.30 -0.38 0.00 2.96 0.01 -0.09 118.68 124.97 3mv8 s LEU 152 Ca -0.07 -1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 52.47 3mv8 s LEU 152 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3mv8 s LEU 152 CO 0.04 -0.16 0.71 0.12 -1.32 0.00 0.00 176.35 175.74 3mv8 s PHE 153 N 1.20 3.10 0.13 5.38 5.36 -0.31 -1.27 117.98 131.57 3mv8 s PHE 153 Ca -0.04 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 3mv8 s PHE 153 Cb -0.18 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 3mv8 s PHE 153 CO -0.05 -0.76 -0.07 -0.08 -1.46 0.00 0.00 175.22 172.80 3mv8 s THR 154 N 2.96 0.88 -1.16 0.12 -1.32 -0.09 -0.59 115.64 116.44 3mv8 s THR 154 Ca 0.28 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 3mv8 s THR 154 Cb -0.14 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 3mv8 s THR 154 CO 0.17 -0.78 0.00 0.47 -2.21 0.00 0.00 174.62 172.28 3mv8 n ASP 155 N -0.13 -4.48 -4.83 8.08 10.43 0.24 -1.52 116.55 124.34 3mv8 n ASP 155 Ca -0.11 0.27 -0.31 0.00 2.57 0.00 0.00 54.79 57.21 3mv8 n ASP 155 Cb 0.61 -2.95 0.03 0.00 1.84 0.00 0.00 41.12 40.65 3mv8 n ASP 155 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3mv8 s PHE 156 N -2.35 3.24 1.15 1.24 -0.12 -1.26 0.02 117.98 119.89 3mv8 s PHE 156 Ca 0.00 1.41 -0.18 0.00 -0.05 0.00 0.00 56.93 58.11 3mv8 s PHE 156 Cb 0.00 -2.86 0.27 0.00 -0.63 0.00 0.00 43.02 39.80 3mv8 s PHE 156 CO 0.00 -1.02 1.15 0.16 -0.05 0.00 0.00 175.22 175.46 3mv8 s ASP 157 N -3.66 1.42 0.55 1.98 1.47 -1.26 -4.45 116.67 112.71 3mv8 s ASP 157 Ca 0.58 0.58 0.33 0.00 1.18 0.00 0.00 52.55 55.22 3mv8 s ASP 157 Cb -0.13 -0.80 1.46 0.00 -0.34 0.00 0.00 42.92 43.10 3mv8 s ASP 157 CO 0.50 -3.81 2.03 0.77 0.68 0.00 0.00 175.17 175.34 3mv8 h SER 158 N -2.37 0.00 0.28 2.11 4.64 -1.88 -3.23 113.55 113.09 3mv8 h SER 158 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3mv8 h SER 158 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3mv8 h SER 158 CO 0.36 0.06 -0.99 0.00 -0.87 0.00 0.00 176.83 175.39 3mv8 n GLN 159 N -3.22 0.17 -3.15 4.77 1.13 -1.26 -4.89 117.38 110.92 3mv8 n GLN 159 Ca -0.00 -0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.65 3mv8 n GLN 159 Cb 0.28 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 3mv8 n GLN 159 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3mv8 s THR 160 N -3.12 4.72 0.13 5.09 -4.23 -1.22 -5.07 115.64 111.94 3mv8 s THR 160 Ca 0.06 1.38 0.07 0.00 -1.18 0.00 0.00 61.69 62.02 3mv8 s THR 160 Cb 0.15 -3.99 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 3mv8 s THR 160 CO 0.81 0.48 -0.17 0.20 -0.54 0.00 0.00 174.62 175.40 3mv8 s ASN 161 N -0.67 2.34 -0.39 3.99 -0.87 -1.26 -4.91 114.94 113.17 3mv8 s ASN 161 Ca 0.32 -0.80 -0.16 0.00 -1.57 0.00 0.00 52.86 50.65 3mv8 s ASN 161 Cb -0.20 -0.11 0.01 0.00 -0.02 0.00 0.00 41.25 40.92 3mv8 s ASN 161 CO 0.20 -0.06 0.36 -0.69 -2.57 0.00 0.00 177.10 174.34 3mv8 s VAL 162 N -1.90 5.17 0.39 1.60 1.01 -1.26 -4.49 120.40 120.91 3mv8 s VAL 162 Ca 0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 3mv8 s VAL 162 Cb -0.06 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3mv8 s VAL 162 CO 0.05 -0.27 0.96 -0.44 0.00 0.00 0.00 175.10 175.40 3mv8 s SER 163 N 1.75 7.06 0.59 3.32 0.01 -1.26 -4.88 113.70 120.29 3mv8 s SER 163 Ca 0.10 1.80 -0.15 0.00 1.31 0.00 0.00 55.95 59.00 3mv8 s SER 163 Cb -0.17 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3mv8 s SER 163 CO 0.12 -0.27 1.04 -1.10 0.41 0.00 0.00 173.24 173.44 3mv8 s GLN 164 N -2.65 3.41 -0.05 12.44 -1.52 -1.26 -4.69 119.66 125.35 3mv8 s GLN 164 Ca 0.57 1.09 -0.12 0.00 -1.95 0.00 0.00 55.36 54.95 3mv8 s GLN 164 Cb -0.15 -2.05 -0.05 0.00 -0.22 0.00 0.00 33.01 30.54 3mv8 s GLN 164 CO 0.19 -0.72 0.32 0.45 -0.25 0.00 0.00 175.29 175.28 3mv8 s SER 165 N -3.07 6.66 0.42 5.90 0.15 -1.26 -4.92 113.70 117.58 3mv8 s SER 165 Ca 0.61 0.79 0.22 0.00 0.70 0.00 0.00 55.95 58.27 3mv8 s SER 165 Cb -0.14 -2.19 0.35 0.00 -1.71 0.00 0.00 66.02 62.33 3mv8 s SER 165 CO 0.39 0.34 1.60 0.11 1.20 0.00 0.00 173.24 176.89 3mv8 h LYS 166 N 4.89 0.00 -6.33 5.44 1.79 -1.97 -3.44 116.57 116.95 3mv8 h LYS 166 Ca -0.52 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.40 3mv8 h LYS 166 Cb 1.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3mv8 h LYS 166 CO 0.61 0.07 0.95 0.34 -1.08 0.00 0.00 179.45 180.34 3mv8 s ASP 167 N -6.22 6.76 0.50 0.86 -1.08 -1.26 -4.90 116.67 111.32 3mv8 s ASP 167 Ca 0.06 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 54.56 3mv8 s ASP 167 Cb 0.06 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.95 3mv8 s ASP 167 CO 0.68 -0.82 1.84 0.28 0.52 0.00 0.00 175.17 177.67 3mv8 h SER 168 N 8.50 0.00 0.04 -0.34 0.02 -2.05 -2.99 113.55 116.73 3mv8 h SER 168 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3mv8 h SER 168 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3mv8 h SER 168 CO 0.93 0.00 -0.09 0.47 -1.14 0.00 0.00 176.83 177.00 3mv8 n ASP 169 N -3.07 1.67 -4.40 3.07 10.43 -1.26 -4.80 116.55 118.19 3mv8 n ASP 169 Ca 0.02 -1.45 -0.33 0.00 2.57 0.00 0.00 54.79 55.60 3mv8 n ASP 169 Cb 0.39 0.06 -0.14 0.00 1.84 0.00 0.00 41.12 43.27 3mv8 n ASP 169 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3mv8 s VAL 170 N -2.14 3.34 -0.19 2.53 1.01 -1.13 -3.50 120.40 120.31 3mv8 s VAL 170 Ca 0.32 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3mv8 s VAL 170 Cb 0.20 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 3mv8 s VAL 170 CO 0.38 0.50 -0.07 -0.31 0.00 0.00 0.00 175.10 175.61 3mv8 s TYR 171 N 0.47 2.92 -0.08 5.22 2.02 0.49 -4.80 117.35 123.59 3mv8 s TYR 171 Ca -0.07 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3mv8 s TYR 171 Cb -0.15 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3mv8 s TYR 171 CO 0.04 -0.43 -0.09 0.42 -1.57 0.00 0.00 175.55 173.92 3mv8 s ILE 172 N 1.08 1.00 0.65 2.71 1.01 -1.26 -0.92 121.20 125.47 3mv8 s ILE 172 Ca 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 3mv8 s ILE 172 Cb -0.15 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3mv8 s ILE 172 CO -0.01 0.34 1.00 0.42 0.00 0.00 0.00 174.94 176.69 3mv8 s THR 173 N 1.06 3.44 0.85 2.92 -4.23 -0.15 -4.92 115.64 114.62 3mv8 s THR 173 Ca -0.07 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 3mv8 s THR 173 Cb -0.14 -3.42 0.10 0.00 1.34 0.00 0.00 72.50 70.38 3mv8 s THR 173 CO -0.01 -0.49 1.09 -1.81 -0.54 0.00 0.00 174.62 172.86 3mv8 s ASP 174 N -4.35 3.94 0.52 3.99 -0.00 -1.26 -4.52 116.67 114.99 3mv8 s ASP 174 Ca 0.56 1.41 -0.21 0.00 -0.00 0.00 0.00 52.55 54.30 3mv8 s ASP 174 Cb -0.11 -2.11 -0.06 0.00 -0.00 0.00 0.00 42.92 40.65 3mv8 s ASP 174 CO 0.48 -2.33 1.24 -1.59 -0.00 0.00 0.00 175.17 172.97 3mv8 s LYS 175 N -5.04 3.34 -0.10 8.23 -2.85 -1.26 -4.52 119.74 117.54 3mv8 s LYS 175 Ca 0.62 1.95 -0.05 0.00 -1.00 0.00 0.00 55.97 57.49 3mv8 s LYS 175 Cb -0.16 -2.23 0.05 0.00 -2.06 0.00 0.00 37.83 33.42 3mv8 s LYS 175 CO 0.56 -0.94 0.23 0.00 0.10 0.00 0.00 175.35 175.29 3mv8 s VAL 177 N 1.31 5.24 -0.08 0.00 0.11 -1.26 -0.96 120.40 124.75 3mv8 s VAL 177 Ca -0.09 0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 59.18 3mv8 s VAL 177 Cb -0.11 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 3mv8 s VAL 177 CO -0.08 0.18 0.34 -0.76 -3.33 0.00 0.00 175.10 171.45 3mv8 s LEU 178 N 1.93 4.38 -0.32 2.54 1.02 -0.02 -4.94 118.68 123.27 3mv8 s LEU 178 Ca 0.11 0.74 -0.01 0.00 0.02 0.00 0.00 54.13 54.99 3mv8 s LEU 178 Cb -0.16 -2.45 0.06 0.00 0.02 0.00 0.00 46.19 43.66 3mv8 s LEU 178 CO 0.11 0.24 0.03 -0.62 0.02 0.00 0.00 176.35 176.13 3mv8 s ASP 179 N -0.47 4.91 -1.25 2.29 2.15 -1.26 -1.59 116.67 121.45 3mv8 s ASP 179 Ca 0.21 -1.45 -0.11 0.00 0.43 0.00 0.00 52.55 51.62 3mv8 s ASP 179 Cb -0.15 -1.71 0.17 0.00 -0.30 0.00 0.00 42.92 40.93 3mv8 s ASP 179 CO 0.09 -0.31 1.69 0.23 -0.17 0.00 0.00 175.17 176.70 3mv8 n MET 180 N 4.58 3.53 -0.35 4.34 2.81 0.47 -4.84 117.12 127.67 3mv8 n MET 180 Ca -0.10 -3.67 0.31 0.00 -1.81 0.00 0.00 57.70 52.42 3mv8 n MET 180 Cb 0.43 -2.97 0.64 0.00 -0.71 0.00 0.00 33.22 30.61 3mv8 n MET 180 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mv8 h ARG 181 N 6.32 0.16 -0.88 0.03 2.47 -1.95 -1.25 114.38 119.28 3mv8 h ARG 181 Ca 0.36 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.15 3mv8 h ARG 181 Cb 0.73 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 3mv8 h ARG 181 CO 1.46 0.11 0.57 1.03 0.56 0.00 0.00 179.97 183.70 3mv8 h SER 182 N 0.17 0.84 -0.43 7.04 0.87 -1.94 -3.15 113.55 116.95 3mv8 h SER 182 Ca 0.62 0.01 -0.32 0.00 -1.23 0.00 0.00 61.79 60.88 3mv8 h SER 182 Cb 2.04 -0.16 -0.33 0.00 -0.44 0.00 0.00 62.40 63.51 3mv8 h SER 182 CO -0.17 0.52 -0.86 1.15 -0.53 0.00 0.00 176.83 176.94 3mv8 n MET 183 N -4.51 2.29 -4.08 2.24 -0.00 -0.49 -5.01 117.12 107.57 3mv8 n MET 183 Ca 0.14 -3.57 -0.39 0.00 -0.00 0.00 0.00 57.70 53.88 3mv8 n MET 183 Cb 0.25 -1.70 -0.01 0.00 -0.00 0.00 0.00 33.22 31.76 3mv8 n MET 183 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3mv8 n ASP 184 N -0.62 -2.56 -3.65 3.17 2.03 -1.13 -4.93 116.55 108.86 3mv8 n ASP 184 Ca 0.25 -1.18 -0.23 0.00 0.52 0.00 0.00 54.79 54.15 3mv8 n ASP 184 Cb 0.89 -1.42 -0.18 0.00 -0.72 0.00 0.00 41.12 39.69 3mv8 n ASP 184 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3mv8 s PHE 185 N -3.82 0.15 0.16 -0.67 5.36 -1.18 -5.05 117.98 112.94 3mv8 s PHE 185 Ca 0.34 -0.02 0.04 0.00 -0.96 0.00 0.00 56.93 56.33 3mv8 s PHE 185 Cb -0.19 -0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.86 3mv8 s PHE 185 CO 0.89 -0.34 0.21 0.15 -1.46 0.00 0.00 175.22 174.67 3mv8 s LYS 186 N 2.14 3.17 -0.12 10.12 1.02 -1.26 -0.39 119.74 134.42 3mv8 s LYS 186 Ca 0.04 -0.74 -0.15 0.00 0.02 0.00 0.00 55.97 55.13 3mv8 s LYS 186 Cb -0.14 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3mv8 s LYS 186 CO -0.06 0.50 0.41 -1.54 -0.92 0.00 0.00 175.35 173.74 3mv8 s SER 187 N -3.20 -0.39 0.41 2.83 1.04 -0.62 -4.89 113.70 108.88 3mv8 s SER 187 Ca 0.33 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 3mv8 s SER 187 Cb -0.10 0.71 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 3mv8 s SER 187 CO 0.26 -0.24 0.75 0.20 0.98 0.00 0.00 173.24 175.19 3mv8 s ASN 188 N -0.20 6.45 -0.02 7.02 0.02 -1.26 -0.84 114.94 126.11 3mv8 s ASN 188 Ca -0.04 1.03 -0.28 0.00 -1.02 0.00 0.00 52.86 52.55 3mv8 s ASN 188 Cb -0.03 -2.28 0.10 0.00 0.02 0.00 0.00 41.25 39.05 3mv8 s ASN 188 CO 0.02 -0.41 0.81 -0.94 0.02 0.00 0.00 177.10 176.60 3mv8 s SER 189 N -3.37 -0.47 0.04 -1.22 1.04 -0.14 -0.59 113.70 108.99 3mv8 s SER 189 Ca 0.49 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3mv8 s SER 189 Cb -0.10 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 3mv8 s SER 189 CO 0.34 -0.62 -0.04 0.00 0.98 0.00 0.00 173.24 173.90 3mv8 s ALA 190 N -2.32 0.42 0.01 5.32 0.00 0.25 -0.31 121.76 125.14 3mv8 s ALA 190 Ca -0.01 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.12 3mv8 s ALA 190 Cb -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3mv8 s ALA 190 CO -0.03 -0.21 -0.25 0.08 0.00 0.00 0.00 175.76 175.35 3mv8 s VAL 191 N -2.51 2.20 -0.02 0.00 1.01 -1.26 -1.16 120.40 118.65 3mv8 s VAL 191 Ca -0.04 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.73 3mv8 s VAL 191 Cb -0.02 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3mv8 s VAL 191 CO -0.04 0.46 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 3mv8 s ALA 192 N -0.73 0.89 0.05 5.51 0.00 0.87 -0.98 121.76 127.37 3mv8 s ALA 192 Ca 0.11 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 3mv8 s ALA 192 Cb -0.10 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3mv8 s ALA 192 CO 0.01 0.15 0.23 1.67 0.00 0.00 0.00 175.76 177.83 3mv8 s TRP 193 N 0.14 0.02 -0.04 0.00 -2.14 -0.10 -0.34 118.94 116.48 3mv8 s TRP 193 Ca -0.02 -0.26 -0.03 0.00 2.66 0.00 0.00 56.10 58.44 3mv8 s TRP 193 Cb -0.08 0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.31 3mv8 s TRP 193 CO 0.00 -0.48 0.10 0.45 -2.66 0.00 0.00 176.95 174.36 3mv8 s SER 194 N -2.26 -0.09 0.00 -2.66 0.15 -1.26 -0.38 113.70 107.20 3mv8 s SER 194 Ca -0.03 0.20 0.29 0.00 0.70 0.00 0.00 55.95 57.12 3mv8 s SER 194 Cb 0.00 0.18 1.72 0.00 -1.71 0.00 0.00 66.02 66.22 3mv8 s SER 194 CO -0.05 -0.05 2.07 -0.46 1.20 0.00 0.00 173.24 175.94 3mv8 n ASN 195 N 3.26 0.00 -3.60 5.45 6.94 -1.23 -4.90 115.26 121.17 3mv8 n ASN 195 Ca -0.15 -0.86 -0.03 0.00 -0.02 0.00 0.00 54.58 53.52 3mv8 n ASN 195 Cb 0.58 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.96 3mv8 n ASN 195 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mv8 s LYS 196 N -2.04 0.30 0.53 -3.83 -2.85 -1.26 -5.18 119.74 105.41 3mv8 s LYS 196 Ca 0.43 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.27 3mv8 s LYS 196 Cb 0.20 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3mv8 s LYS 196 CO 0.34 -0.13 0.00 0.45 0.10 0.00 0.00 175.35 176.11 3mv8 n SER 197 N -0.19 -7.09 -1.63 0.03 2.88 -1.26 -4.57 113.62 101.79 3mv8 n SER 197 Ca -0.02 1.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 3mv8 n SER 197 Cb 0.59 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 3mv8 n SER 197 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3mv8 n ASP 198 N -3.20 -0.81 -3.99 -3.46 5.68 -1.26 -4.79 116.55 104.71 3mv8 n ASP 198 Ca -0.04 -0.57 -0.32 0.00 -0.50 0.00 0.00 54.79 53.36 3mv8 n ASP 198 Cb 0.50 -0.24 -0.13 0.00 -1.14 0.00 0.00 41.12 40.11 3mv8 n ASP 198 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3mv8 s PHE 199 N 0.01 3.25 0.04 2.11 5.36 -1.26 -5.08 117.98 122.40 3mv8 s PHE 199 Ca 0.00 -3.06 -0.14 0.00 -0.96 0.00 0.00 56.93 52.77 3mv8 s PHE 199 Cb 0.00 -2.93 -0.06 0.00 -0.34 0.00 0.00 43.02 39.69 3mv8 s PHE 199 CO 0.00 -0.76 0.43 0.00 -1.46 0.00 0.00 175.22 173.43 3mv8 s ALA 200 N -0.28 3.68 0.50 11.12 0.00 -1.26 -4.98 121.76 130.55 3mv8 s ALA 200 Ca 0.17 -0.22 0.24 0.00 0.00 0.00 0.00 51.96 52.15 3mv8 s ALA 200 Cb -0.24 -2.40 1.48 0.00 0.00 0.00 0.00 23.12 21.97 3mv8 s ALA 200 CO -0.01 0.49 2.14 0.00 0.00 0.00 0.00 175.76 178.37 3mv8 h ALA 202 N 1.93 2.40 -0.01 0.00 0.00 -1.93 -2.59 119.26 119.05 3mv8 h ALA 202 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mv8 h ALA 202 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mv8 h ALA 202 CO 0.01 -0.52 -0.13 0.09 0.00 0.00 0.00 179.25 178.69 3mv8 n ASN 203 N -4.41 1.60 -0.11 0.00 3.02 -0.62 -4.78 115.26 109.96 3mv8 n ASN 203 Ca 0.07 -1.30 -0.05 0.00 -0.03 0.00 0.00 54.58 53.27 3mv8 n ASN 203 Cb 0.51 0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.97 3mv8 n ASN 203 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mv8 h ALA 204 N 2.13 0.41 -0.93 5.41 0.00 -1.03 -2.33 119.26 122.91 3mv8 h ALA 204 Ca 0.00 0.06 -0.49 0.00 0.00 0.00 0.00 54.91 54.48 3mv8 h ALA 204 Cb 0.43 0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.01 3mv8 h ALA 204 CO 0.00 -0.31 0.62 1.19 0.00 0.00 0.00 179.25 180.76 3mv8 n PHE 205 N -5.07 2.88 -0.09 0.00 3.01 -1.26 -4.66 117.46 112.27 3mv8 n PHE 205 Ca 0.02 -1.79 0.13 0.00 1.01 0.00 0.00 57.45 56.82 3mv8 n PHE 205 Cb 0.16 -0.92 0.52 0.00 -0.01 0.00 0.00 39.48 39.23 3mv8 n PHE 205 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 3mv8 h ASN 206 N 0.96 0.33 1.33 4.37 -1.24 -1.75 -2.10 115.58 117.48 3mv8 h ASN 206 Ca 0.60 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.62 3mv8 h ASN 206 Cb 2.71 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 41.70 3mv8 h ASN 206 CO 1.05 0.20 0.00 0.78 -1.29 0.00 0.00 177.43 178.16 3mv8 h ASN 207 N 0.37 0.00 -3.68 1.15 -0.26 -1.85 -3.45 115.58 107.86 3mv8 h ASN 207 Ca 0.29 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.53 3mv8 h ASN 207 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3mv8 h ASN 207 CO -0.08 0.00 0.11 -0.44 -1.06 0.00 0.00 177.43 175.96 3mv8 s SER 208 N -5.06 6.53 -0.11 5.81 0.01 -0.79 -4.79 113.70 115.29 3mv8 s SER 208 Ca 0.06 1.12 -0.29 0.00 1.31 0.00 0.00 55.95 58.15 3mv8 s SER 208 Cb 0.09 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 3mv8 s SER 208 CO 0.55 -0.38 1.51 -0.63 0.41 0.00 0.00 173.24 174.70 3mv8 s ILE 209 N -2.35 3.85 -0.15 1.44 1.01 -1.26 -5.00 121.20 118.73 3mv8 s ILE 209 Ca 0.51 1.02 -0.04 0.00 0.00 0.00 0.00 60.65 62.13 3mv8 s ILE 209 Cb -0.10 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3mv8 s ILE 209 CO 0.31 -0.11 -0.01 -0.51 0.00 0.00 0.00 174.94 174.61 3mv8 s ILE 210 N 3.95 4.11 0.23 2.92 2.07 -1.26 -4.66 121.20 128.56 3mv8 s ILE 210 Ca 0.66 -0.29 -0.31 0.00 -1.41 0.00 0.00 60.65 59.31 3mv8 s ILE 210 Cb -0.28 -2.80 -0.14 0.00 0.13 0.00 0.00 42.46 39.36 3mv8 s ILE 210 CO 0.24 0.50 1.20 -2.65 -1.91 0.00 0.00 174.94 172.32 3mv8 n PRO 211 N 3.33 1.52 0.14 3.50 -0.02 -1.26 -4.83 135.00 137.39 3mv8 n PRO 211 Ca -0.17 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3mv8 n PRO 211 Cb 0.53 -2.05 0.52 0.00 -0.02 0.00 0.00 33.50 32.47 3mv8 n PRO 211 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mv8 n GLU 212 N 1.48 0.18 -0.21 -0.52 1.02 -1.26 -2.11 120.64 119.22 3mv8 n GLU 212 Ca 0.12 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.85 3mv8 n GLU 212 Cb 0.29 -1.90 0.26 0.00 -0.02 0.00 0.00 31.44 30.08 3mv8 n GLU 212 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mv8 n ASP 213 N -2.25 3.05 -4.70 1.62 5.75 -1.26 -4.98 116.55 113.77 3mv8 n ASP 213 Ca 0.01 -1.95 -0.44 0.00 -0.01 0.00 0.00 54.79 52.41 3mv8 n ASP 213 Cb 0.18 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3mv8 n ASP 213 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3mv8 n THR 214 N 1.20 0.02 -2.89 2.12 -1.04 -0.89 -4.81 114.28 107.98 3mv8 n THR 214 Ca 0.19 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.78 3mv8 n THR 214 Cb 0.52 -1.78 -0.04 0.00 -1.82 0.00 0.00 70.33 67.20 3mv8 n THR 214 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3mv8 s PHE 215 N 1.04 3.43 -0.34 -1.42 5.36 0.54 -4.94 117.98 121.64 3mv8 s PHE 215 Ca 0.77 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 58.04 3mv8 s PHE 215 Cb -0.58 -3.01 0.10 0.00 -0.34 0.00 0.00 43.02 39.19 3mv8 s PHE 215 CO 0.35 -0.22 0.06 -0.06 -1.46 0.00 0.00 175.22 173.89 3mv8 s PHE 216 N 2.06 3.67 0.55 10.12 0.40 -1.26 -2.02 117.98 131.50 3mv8 s PHE 216 Ca 0.39 -2.96 -0.19 0.00 -0.60 0.00 0.00 56.93 53.56 3mv8 s PHE 216 Cb -0.17 -2.88 -0.06 0.00 0.51 0.00 0.00 43.02 40.43 3mv8 s PHE 216 CO 0.13 -0.94 1.14 -1.25 0.70 0.00 0.00 175.22 174.99 3mv8 s PRO 217 N 0.90 3.32 0.00 0.24 0.04 -1.26 -5.09 135.00 133.15 3mv8 s PRO 217 Ca 0.11 1.63 0.13 0.00 0.04 0.00 0.00 61.00 62.91 3mv8 s PRO 217 Cb -0.19 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.45 3mv8 s PRO 217 CO -0.08 -0.88 0.91 0.45 0.04 0.00 0.00 177.00 177.44