#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv8 n ASP 1 N 0.00 3.82 -0.06 3.17 9.92 -1.26 -4.93 116.55 127.20 3mv8 n ASP 1 Ca 0.00 1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 55.30 3mv8 n ASP 1 Cb 0.00 -1.60 -0.01 0.00 -0.64 0.00 0.00 41.12 38.87 3mv8 n ASP 1 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3mv8 h SER 2 N 4.15 0.88 0.00 -2.24 4.64 -1.96 -3.47 113.55 115.56 3mv8 h SER 2 Ca -0.48 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 3mv8 h SER 2 Cb 1.23 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3mv8 h SER 2 CO 0.74 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 178.55 3mv8 n GLY 3 N 0.31 1.57 3.72 -0.77 0.00 -1.26 -5.01 105.19 103.75 3mv8 n GLY 3 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3mv8 n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mv8 s VAL 4 N -1.43 3.94 -0.21 1.61 1.01 -1.26 -4.38 120.40 119.68 3mv8 s VAL 4 Ca 0.00 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 3mv8 s VAL 4 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3mv8 s VAL 4 CO 0.00 0.16 0.00 -0.89 0.00 0.00 0.00 175.10 174.37 3mv8 s THR 5 N 0.66 3.95 -0.11 3.92 2.01 -0.75 -4.49 115.64 120.82 3mv8 s THR 5 Ca 0.56 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.27 3mv8 s THR 5 Cb -0.30 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.43 3mv8 s THR 5 CO 0.31 0.42 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.39 3mv8 s GLN 6 N 1.10 2.41 0.07 4.92 -0.21 -1.26 -0.81 119.66 125.88 3mv8 s GLN 6 Ca 0.03 -0.63 0.02 0.00 0.02 0.00 0.00 55.36 54.79 3mv8 s GLN 6 Cb -0.14 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 3mv8 s GLN 6 CO 0.01 -0.04 -0.07 0.95 -2.12 0.00 0.00 175.29 174.03 3mv8 s THR 7 N 0.90 0.57 0.51 -0.19 -4.23 -0.98 -4.38 115.64 107.84 3mv8 s THR 7 Ca -0.08 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.73 3mv8 s THR 7 Cb -0.15 -1.16 -0.08 0.00 1.34 0.00 0.00 72.50 72.45 3mv8 s THR 7 CO -0.01 -0.66 1.01 -2.16 -0.54 0.00 0.00 174.62 172.26 3mv8 s PRO 8 N -2.79 3.83 0.25 3.99 0.04 -1.26 -0.51 135.00 138.55 3mv8 s PRO 8 Ca 0.01 1.16 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 3mv8 s PRO 8 Cb -0.02 -2.11 0.30 0.00 0.04 0.00 0.00 34.50 32.71 3mv8 s PRO 8 CO -0.03 -0.38 1.79 0.87 0.04 0.00 0.00 177.00 179.29 3mv8 h LYS 9 N 1.20 0.94 -5.10 4.56 1.57 -1.81 -3.40 116.57 114.52 3mv8 h LYS 9 Ca -0.48 -0.20 -0.50 0.00 -1.87 0.00 0.00 60.65 57.60 3mv8 h LYS 9 Cb 1.20 -0.14 -0.30 0.00 0.08 0.00 0.00 32.23 33.07 3mv8 h LYS 9 CO 0.60 0.84 -0.82 -1.01 -0.57 0.00 0.00 179.45 178.49 3mv8 s HIS 10 N -5.25 1.35 -0.05 -1.35 3.76 -1.26 -1.12 115.29 111.37 3mv8 s HIS 10 Ca -0.11 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3mv8 s HIS 10 Cb 0.15 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.95 3mv8 s HIS 10 CO 0.82 -0.10 -0.08 -0.51 -0.85 0.00 0.00 174.74 174.02 3mv8 s LEU 11 N -0.04 1.49 -0.12 0.89 1.43 0.26 -4.94 118.68 117.66 3mv8 s LEU 11 Ca -0.01 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3mv8 s LEU 11 Cb -0.09 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.54 3mv8 s LEU 11 CO 0.01 -0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 175.79 3mv8 s ILE 12 N 0.77 1.58 0.28 -0.59 1.01 -1.26 -0.35 121.20 122.64 3mv8 s ILE 12 Ca -0.13 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3mv8 s ILE 12 Cb -0.15 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3mv8 s ILE 12 CO 0.02 0.46 0.48 0.28 0.00 0.00 0.00 174.94 176.17 3mv8 s THR 13 N 1.00 0.00 0.27 2.92 -1.32 -0.63 -4.78 115.64 113.10 3mv8 s THR 13 Ca -0.06 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 3mv8 s THR 13 Cb -0.15 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3mv8 s THR 13 CO -0.02 0.00 0.46 0.00 -2.21 0.00 0.00 174.62 172.84 3mv8 s ALA 14 N -3.65 3.78 0.52 11.08 0.00 -1.26 -1.00 121.76 131.22 3mv8 s ALA 14 Ca 0.25 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 3mv8 s ALA 14 Cb -0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.03 3mv8 s ALA 14 CO 0.12 0.23 1.39 0.95 0.00 0.00 0.00 175.76 178.45 3mv8 s THR 15 N -2.06 2.02 0.00 0.00 -4.23 -0.11 -2.78 115.64 108.48 3mv8 s THR 15 Ca 0.39 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 3mv8 s THR 15 Cb -0.10 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3mv8 s THR 15 CO 0.32 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3mv8 n GLY 16 N 0.68 1.55 3.98 3.99 0.00 0.18 -4.86 105.19 110.71 3mv8 n GLY 16 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3mv8 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mv8 s GLN 17 N -0.31 1.58 -0.05 1.61 -0.21 -1.12 -4.21 119.66 116.95 3mv8 s GLN 17 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 55.36 54.50 3mv8 s GLN 17 Cb 0.00 -2.25 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 3mv8 s GLN 17 CO 0.00 -1.56 -0.19 0.50 -2.12 0.00 0.00 175.29 171.93 3mv8 s ARG 18 N -5.25 1.96 0.13 2.91 3.52 -1.26 -1.39 118.95 119.57 3mv8 s ARG 18 Ca 0.67 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.67 3mv8 s ARG 18 Cb -0.06 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.61 3mv8 s ARG 18 CO 0.45 0.27 -0.16 0.14 -0.81 0.00 0.00 175.30 175.19 3mv8 s VAL 19 N 0.01 1.53 -0.09 7.11 -7.23 -0.08 -5.00 120.40 116.65 3mv8 s VAL 19 Ca -0.04 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3mv8 s VAL 19 Cb -0.12 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3mv8 s VAL 19 CO 0.03 -0.33 -0.20 0.28 -0.31 0.00 0.00 175.10 174.57 3mv8 s THR 20 N -1.95 1.74 0.04 5.32 -1.32 -1.26 -1.09 115.64 117.12 3mv8 s THR 20 Ca 0.10 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.77 3mv8 s THR 20 Cb -0.06 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 3mv8 s THR 20 CO 0.04 0.49 0.06 -0.76 -2.21 0.00 0.00 174.62 172.24 3mv8 s LEU 21 N 0.51 3.76 0.04 9.08 1.43 0.57 -4.76 118.68 129.32 3mv8 s LEU 21 Ca -0.16 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3mv8 s LEU 21 Cb -0.17 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3mv8 s LEU 21 CO 0.06 0.23 -0.22 -0.60 0.23 0.00 0.00 176.35 176.05 3mv8 s ARG 22 N -2.01 1.96 -0.06 1.70 3.52 0.34 -0.78 118.95 123.62 3mv8 s ARG 22 Ca 0.25 -1.03 -0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3mv8 s ARG 22 Cb -0.12 -2.10 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 3mv8 s ARG 22 CO 0.17 0.53 0.14 0.00 -0.81 0.00 0.00 175.30 175.32 3mv8 s SER 24 N 1.13 4.64 1.04 0.00 0.01 0.01 0.36 113.70 120.90 3mv8 s SER 24 Ca -0.09 -0.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.83 3mv8 s SER 24 Cb -0.11 -1.76 0.21 0.00 0.21 0.00 0.00 66.02 64.57 3mv8 s SER 24 CO -0.06 0.13 1.10 -2.16 0.41 0.00 0.00 173.24 172.66 3mv8 s PRO 25 N 0.61 0.07 0.64 12.44 0.04 -1.26 -1.81 135.00 145.73 3mv8 s PRO 25 Ca -0.03 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.21 3mv8 s PRO 25 Cb -0.14 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 3mv8 s PRO 25 CO 0.02 -2.94 1.18 0.54 0.04 0.00 0.00 177.00 175.84 3mv8 n ARG 26 N -4.30 0.99 -1.70 4.56 1.74 -1.26 -4.71 116.66 111.98 3mv8 n ARG 26 Ca 0.06 0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 3mv8 n ARG 26 Cb 0.58 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.46 29.58 3mv8 n ARG 26 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3mv8 s SER 27 N -1.38 6.40 0.00 0.55 0.01 -1.26 -1.78 113.70 116.25 3mv8 s SER 27 Ca 0.80 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.86 3mv8 s SER 27 Cb -0.39 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.27 3mv8 s SER 27 CO 0.43 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3mv8 n GLY 28 N 4.23 3.33 3.78 3.44 0.00 -1.26 -5.05 105.19 113.66 3mv8 n GLY 28 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3mv8 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mv8 s ASP 29 N -0.40 7.34 -0.00 1.61 1.01 -0.73 -4.95 116.67 120.55 3mv8 s ASP 29 Ca 0.00 1.68 0.09 0.00 0.71 0.00 0.00 52.55 55.03 3mv8 s ASP 29 Cb 0.00 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 3mv8 s ASP 29 CO 0.00 0.10 0.36 0.18 0.21 0.00 0.00 175.17 176.02 3mv8 n LEU 30 N 1.16 0.37 -4.88 1.23 4.77 -1.26 -4.73 117.00 113.66 3mv8 n LEU 30 Ca -0.03 -0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 55.23 3mv8 n LEU 30 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3mv8 n LEU 30 CO 0.46 0.09 -0.17 -0.94 -1.33 0.00 0.00 177.39 175.50 3mv8 s SER 31 N -1.99 6.04 -0.06 -1.43 1.04 -1.26 -1.32 113.70 114.72 3mv8 s SER 31 Ca 0.03 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.58 3mv8 s SER 31 Cb 0.07 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.45 3mv8 s SER 31 CO 0.37 0.12 -0.08 -0.69 0.98 0.00 0.00 173.24 173.93 3mv8 s VAL 39 N -1.60 0.85 -0.06 5.02 1.01 -0.38 -4.07 120.40 121.17 3mv8 s VAL 39 Ca 0.33 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3mv8 s VAL 39 Cb -0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3mv8 s VAL 39 CO 0.26 0.30 -0.16 -0.31 0.00 0.00 0.00 175.10 175.19 3mv8 s TYR 40 N 0.92 2.67 -0.12 5.22 2.02 0.12 -0.21 117.35 127.98 3mv8 s TYR 40 Ca -0.10 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 3mv8 s TYR 40 Cb -0.15 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3mv8 s TYR 40 CO 0.01 0.05 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.39 3mv8 s TRP 41 N -0.45 2.96 0.17 2.71 0.52 -0.11 -0.32 118.94 124.41 3mv8 s TRP 41 Ca 0.05 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 55.98 3mv8 s TRP 41 Cb -0.12 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 3mv8 s TRP 41 CO 0.02 0.04 -0.16 0.71 0.02 0.00 0.00 176.95 177.57 3mv8 s TYR 42 N 0.01 1.70 -0.05 -1.98 1.51 0.28 -0.88 117.35 117.94 3mv8 s TYR 42 Ca -0.01 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3mv8 s TYR 42 Cb -0.14 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3mv8 s TYR 42 CO 0.03 0.30 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.47 3mv8 s GLN 43 N -2.98 1.81 -0.31 -0.62 0.74 -0.53 -0.70 119.66 117.07 3mv8 s GLN 43 Ca 0.16 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 55.06 3mv8 s GLN 43 Cb -0.04 -1.52 0.09 0.00 1.10 0.00 0.00 33.01 32.63 3mv8 s GLN 43 CO 0.06 0.15 0.01 -1.14 -0.55 0.00 0.00 175.29 173.82 3mv8 s GLN 44 N 0.29 1.59 0.46 1.67 0.74 0.13 -0.91 119.66 123.63 3mv8 s GLN 44 Ca -0.09 -1.61 -0.09 0.00 0.05 0.00 0.00 55.36 53.62 3mv8 s GLN 44 Cb -0.13 -2.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 3mv8 s GLN 44 CO 0.03 -0.83 0.82 -1.12 -0.55 0.00 0.00 175.29 173.64 3mv8 s SER 45 N 1.06 6.42 0.37 6.67 0.01 -1.26 -1.41 113.70 125.56 3mv8 s SER 45 Ca 0.05 1.13 -0.27 0.00 1.31 0.00 0.00 55.95 58.16 3mv8 s SER 45 Cb -0.19 -2.33 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 3mv8 s SER 45 CO -0.09 -0.52 1.36 0.18 0.41 0.00 0.00 173.24 174.59 3mv8 n LEU 46 N -1.77 4.15 -1.72 2.44 4.77 -1.26 -1.43 117.00 122.19 3mv8 n LEU 46 Ca 0.02 1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 57.05 3mv8 n LEU 46 Cb 0.54 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 3mv8 n LEU 46 CO 0.50 -0.27 -0.16 0.47 -1.33 0.00 0.00 177.39 176.61 3mv8 n ASP 47 N 0.51 -4.11 -4.00 -1.43 8.00 -1.26 -4.96 116.55 109.30 3mv8 n ASP 47 Ca 0.04 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 3mv8 n ASP 47 Cb 0.38 -3.67 -0.12 0.00 -0.02 0.00 0.00 41.12 37.69 3mv8 n ASP 47 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3mv8 s GLN 48 N -3.78 0.37 0.99 -1.24 0.74 -0.51 -5.17 119.66 111.07 3mv8 s GLN 48 Ca 0.00 -0.55 -0.16 0.00 0.05 0.00 0.00 55.36 54.69 3mv8 s GLN 48 Cb 0.00 -0.11 0.21 0.00 1.10 0.00 0.00 33.01 34.20 3mv8 s GLN 48 CO 0.00 0.01 1.29 0.20 -0.55 0.00 0.00 175.29 176.25 3mv8 s GLY 49 N -1.20 1.75 0.26 2.59 0.00 -1.26 -4.10 107.32 105.36 3mv8 s GLY 49 Ca -0.10 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 3mv8 s GLY 49 CO -0.00 -0.38 1.59 1.08 0.00 0.00 0.00 173.10 175.39 3mv8 s LEU 50 N -6.02 4.36 -0.11 0.66 1.02 -1.26 -4.44 118.68 112.89 3mv8 s LEU 50 Ca 0.73 2.86 0.03 0.00 0.02 0.00 0.00 54.13 57.77 3mv8 s LEU 50 Cb -0.05 -3.62 0.01 0.00 0.02 0.00 0.00 46.19 42.55 3mv8 s LEU 50 CO 0.53 -0.88 -0.19 -1.10 0.02 0.00 0.00 176.35 174.73 3mv8 s GLN 51 N -0.04 2.60 0.09 1.70 -1.52 -0.09 -4.95 119.66 117.46 3mv8 s GLN 51 Ca 0.65 -0.71 -0.31 0.00 -1.95 0.00 0.00 55.36 53.04 3mv8 s GLN 51 Cb -0.47 -2.10 -0.08 0.00 -0.22 0.00 0.00 33.01 30.14 3mv8 s GLN 51 CO 0.43 0.02 1.53 0.12 -0.25 0.00 0.00 175.29 177.14 3mv8 s PHE 52 N 0.74 2.83 -0.12 0.91 2.19 -1.26 -1.45 117.98 121.83 3mv8 s PHE 52 Ca -0.11 0.62 -0.13 0.00 0.33 0.00 0.00 56.93 57.64 3mv8 s PHE 52 Cb -0.16 -3.84 -0.04 0.00 -1.31 0.00 0.00 43.02 37.67 3mv8 s PHE 52 CO 0.01 -3.18 -0.25 1.28 1.83 0.00 0.00 175.22 174.91 3mv8 n LEU 53 N 4.81 1.55 -3.52 6.12 4.77 -0.06 -2.91 117.00 127.75 3mv8 n LEU 53 Ca 0.14 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3mv8 n LEU 53 Cb 0.41 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3mv8 n LEU 53 CO 0.61 -0.37 0.46 -0.51 -1.33 0.00 0.00 177.39 176.25 3mv8 s ILE 54 N -2.51 0.00 -0.04 -0.08 2.07 -1.19 0.14 121.20 119.58 3mv8 s ILE 54 Ca -0.21 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 3mv8 s ILE 54 Cb 0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 3mv8 s ILE 54 CO 0.31 0.00 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.95 3mv8 s HIS 55 N -1.25 1.20 0.10 3.50 5.65 0.24 -0.94 115.29 123.80 3mv8 s HIS 55 Ca -0.10 -0.37 0.09 0.00 0.25 0.00 0.00 55.06 54.93 3mv8 s HIS 55 Cb -0.00 -0.87 -0.04 0.00 -1.18 0.00 0.00 32.58 30.49 3mv8 s HIS 55 CO 0.09 -0.18 -0.23 0.71 -0.65 0.00 0.00 174.74 174.48 3mv8 s TYR 56 N 0.41 2.01 -0.07 3.88 2.02 0.71 -0.19 117.35 126.12 3mv8 s TYR 56 Ca -0.08 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 3mv8 s TYR 56 Cb -0.12 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3mv8 s TYR 56 CO 0.02 0.23 -0.01 -0.47 -1.57 0.00 0.00 175.55 173.75 3mv8 s TYR 57 N -1.06 0.73 -1.46 2.71 6.14 0.45 -1.25 117.35 123.62 3mv8 s TYR 57 Ca 0.10 -0.21 -0.06 0.00 0.64 0.00 0.00 57.07 57.53 3mv8 s TYR 57 Cb -0.10 -0.82 0.05 0.00 0.42 0.00 0.00 41.96 41.51 3mv8 s TYR 57 CO 0.04 -0.33 0.66 -1.71 0.64 0.00 0.00 175.55 174.85 3mv8 n ASN 58 N 5.04 -1.93 0.00 4.32 5.15 -0.43 -1.60 115.26 125.80 3mv8 n ASN 58 Ca -0.09 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3mv8 n ASN 58 Cb 0.50 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.36 3mv8 n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mv8 n GLY 59 N -1.73 0.74 3.20 8.20 0.00 -1.26 -5.02 105.19 109.31 3mv8 n GLY 59 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3mv8 n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv8 s GLU 60 N -0.51 1.92 0.14 1.61 2.12 -0.63 -4.61 118.70 118.74 3mv8 s GLU 60 Ca 0.00 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.29 3mv8 s GLU 60 Cb 0.00 -1.71 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 3mv8 s GLU 60 CO 0.00 0.35 1.49 -2.00 -0.54 0.00 0.00 175.26 174.55 3mv8 s GLU 61 N -0.20 4.26 -0.08 4.30 2.12 -1.26 -0.41 118.70 127.43 3mv8 s GLU 61 Ca 0.01 2.23 -0.00 0.00 0.36 0.00 0.00 54.97 57.57 3mv8 s GLU 61 Cb -0.11 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3mv8 s GLU 61 CO 0.01 -0.53 -0.08 -2.13 -0.54 0.00 0.00 175.26 172.00 3mv8 n ARG 66 N 3.93 0.20 -3.64 4.30 3.00 0.73 -4.88 116.66 120.30 3mv8 n ARG 66 Ca 0.13 0.05 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 3mv8 n ARG 66 Cb 0.40 -1.11 -0.06 0.00 0.00 0.00 0.00 32.46 31.69 3mv8 n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mv8 s ALA 67 N -2.16 -1.06 -0.05 5.13 0.00 -1.11 -5.02 121.76 117.49 3mv8 s ALA 67 Ca -0.11 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3mv8 s ALA 67 Cb 0.03 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3mv8 s ALA 67 CO 0.18 -0.48 -0.04 0.21 0.00 0.00 0.00 175.76 175.62 3mv8 s LYS 68 N -2.60 0.80 0.00 0.00 2.20 -1.26 -0.59 119.74 118.29 3mv8 s LYS 68 Ca -0.04 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3mv8 s LYS 68 Cb -0.01 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 3mv8 s LYS 68 CO -0.03 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3mv8 n GLY 69 N 4.13 1.39 2.51 5.54 0.00 0.36 -4.94 105.19 114.19 3mv8 n GLY 69 Ca -0.24 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 3mv8 n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mv8 n ASN 70 N 0.00 7.38 -4.73 1.61 4.13 -1.15 -4.96 115.26 117.54 3mv8 n ASN 70 Ca 0.00 -3.66 -0.42 0.00 1.68 0.00 0.00 54.58 52.18 3mv8 n ASN 70 Cb 0.00 -1.05 -0.03 0.00 -1.54 0.00 0.00 39.78 37.16 3mv8 n ASN 70 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3mv8 s ILE 71 N -4.36 3.51 0.61 2.41 2.07 -1.26 -4.99 121.20 119.20 3mv8 s ILE 71 Ca 0.56 1.18 -0.16 0.00 -1.41 0.00 0.00 60.65 60.82 3mv8 s ILE 71 Cb 0.44 -3.76 -0.03 0.00 0.13 0.00 0.00 42.46 39.25 3mv8 s ILE 71 CO -0.18 0.15 1.08 -0.76 -1.91 0.00 0.00 174.94 173.32 3mv8 s LEU 72 N 0.32 3.48 0.41 8.50 1.43 -1.26 -4.95 118.68 126.61 3mv8 s LEU 72 Ca 0.57 1.90 0.08 0.00 -1.03 0.00 0.00 54.13 55.65 3mv8 s LEU 72 Cb -0.34 -4.54 0.87 0.00 0.03 0.00 0.00 46.19 42.21 3mv8 s LEU 72 CO 0.34 -1.32 2.03 -0.33 0.23 0.00 0.00 176.35 177.31 3mv8 h GLU 74 N 0.37 0.45 0.00 1.70 4.39 -2.02 -0.71 114.58 118.75 3mv8 h GLU 74 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3mv8 h GLU 74 Cb 1.23 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3mv8 h GLU 74 CO 0.56 0.34 0.00 2.89 -1.16 0.00 0.00 179.01 181.65 3mv8 n ARG 75 N -4.44 0.20 -3.59 2.33 1.85 -1.26 -4.66 116.66 107.10 3mv8 n ARG 75 Ca 0.02 0.08 -0.35 0.00 -1.00 0.00 0.00 57.85 56.60 3mv8 n ARG 75 Cb 0.11 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.96 3mv8 n ARG 75 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3mv8 s PHE 76 N -2.75 3.59 0.05 2.89 0.40 -0.28 -2.25 117.98 119.64 3mv8 s PHE 76 Ca 0.18 0.78 -0.17 0.00 -0.60 0.00 0.00 56.93 57.12 3mv8 s PHE 76 Cb 0.16 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.57 3mv8 s PHE 76 CO 0.39 0.54 0.38 -1.54 0.70 0.00 0.00 175.22 175.69 3mv8 s SER 77 N -1.70 -0.24 0.21 1.36 1.04 0.37 -4.78 113.70 109.97 3mv8 s SER 77 Ca 0.32 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 3mv8 s SER 77 Cb -0.14 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 3mv8 s SER 77 CO 0.17 -0.68 0.40 0.00 0.98 0.00 0.00 173.24 174.12 3mv8 s ALA 78 N -2.66 -0.14 -0.01 5.32 0.00 -1.26 0.12 121.76 123.12 3mv8 s ALA 78 Ca -0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 3mv8 s ALA 78 Cb -0.00 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.14 3mv8 s ALA 78 CO -0.04 -0.76 0.33 -0.65 0.00 0.00 0.00 175.76 174.64 3mv8 s GLN 79 N -4.00 0.69 -0.19 0.00 -0.21 -0.88 -5.01 119.66 110.07 3mv8 s GLN 79 Ca 0.20 -0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.36 3mv8 s GLN 79 Cb 0.01 0.31 -0.03 0.00 1.00 0.00 0.00 33.01 34.30 3mv8 s GLN 79 CO 0.05 -0.19 -0.00 -1.14 -2.12 0.00 0.00 175.29 171.89 3mv8 s GLN 80 N -1.35 3.68 0.70 2.91 0.74 -1.26 -2.39 119.66 122.69 3mv8 s GLN 80 Ca -0.13 -0.50 -0.06 0.00 0.05 0.00 0.00 55.36 54.72 3mv8 s GLN 80 Cb -0.05 -3.05 0.06 0.00 1.10 0.00 0.00 33.01 31.07 3mv8 s GLN 80 CO 0.04 0.11 1.01 -0.06 -0.55 0.00 0.00 175.29 175.84 3mv8 s PHE 81 N 0.74 2.87 0.42 1.67 0.08 -0.63 -4.46 117.98 118.66 3mv8 s PHE 81 Ca 0.00 0.40 0.14 0.00 0.12 0.00 0.00 56.93 57.59 3mv8 s PHE 81 Cb -0.14 -3.18 1.01 0.00 -0.57 0.00 0.00 43.02 40.14 3mv8 s PHE 81 CO 0.02 -1.41 1.94 -1.35 -0.10 0.00 0.00 175.22 174.33 3mv8 h PRO 83 N -0.58 0.44 -0.06 0.24 0.11 -1.94 0.31 132.00 130.53 3mv8 h PRO 83 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3mv8 h PRO 83 Cb 1.31 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mv8 h PRO 83 CO 0.59 0.29 0.37 -0.44 -0.21 0.00 0.00 178.00 178.60 3mv8 h ASP 84 N 0.45 0.00 0.00 -2.05 3.45 -2.01 -3.45 116.42 112.80 3mv8 h ASP 84 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 3mv8 h ASP 84 Cb 0.69 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3mv8 h ASP 84 CO -0.11 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.74 3mv8 n LEU 85 N -2.99 0.04 -4.79 1.55 4.77 0.10 -5.00 117.00 110.68 3mv8 n LEU 85 Ca -0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 3mv8 n LEU 85 Cb 0.43 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3mv8 n LEU 85 CO 0.15 -0.02 0.72 -1.38 -1.33 0.00 0.00 177.39 175.53 3mv8 s HIS 86 N -2.85 2.80 0.05 -1.77 -3.43 -1.26 -4.46 115.29 104.36 3mv8 s HIS 86 Ca 0.00 1.52 0.05 0.00 -0.80 0.00 0.00 55.06 55.82 3mv8 s HIS 86 Cb 0.00 -3.04 -0.02 0.00 -1.43 0.00 0.00 32.58 28.08 3mv8 s HIS 86 CO 0.00 -1.49 -0.13 0.45 -2.00 0.00 0.00 174.74 171.57 3mv8 s SER 87 N -3.07 1.55 -0.09 7.38 0.15 0.16 -1.61 113.70 118.17 3mv8 s SER 87 Ca 0.63 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.82 3mv8 s SER 87 Cb -0.17 -0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3mv8 s SER 87 CO 0.47 -0.02 -0.24 -1.61 1.20 0.00 0.00 173.24 173.03 3mv8 s GLU 88 N -1.34 2.94 -0.20 5.44 2.02 -1.01 -0.31 118.70 126.24 3mv8 s GLU 88 Ca -0.01 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.05 3mv8 s GLU 88 Cb -0.09 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 3mv8 s GLU 88 CO 0.01 0.23 -0.01 -1.17 0.02 0.00 0.00 175.26 174.34 3mv8 s LEU 89 N 0.22 3.18 -0.19 1.80 2.96 0.04 -2.06 118.68 124.63 3mv8 s LEU 89 Ca -0.15 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3mv8 s LEU 89 Cb -0.17 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3mv8 s LEU 89 CO 0.08 0.05 0.00 0.20 -1.32 0.00 0.00 176.35 175.36 3mv8 s ASN 90 N 1.06 4.97 -0.20 3.68 0.01 0.32 -0.31 114.94 124.47 3mv8 s ASN 90 Ca 0.02 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 3mv8 s ASN 90 Cb -0.14 -1.84 0.03 0.00 0.41 0.00 0.00 41.25 39.70 3mv8 s ASN 90 CO 0.01 0.11 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.79 3mv8 s LEU 91 N 0.73 2.51 0.38 0.60 1.43 -0.25 -0.48 118.68 123.60 3mv8 s LEU 91 Ca 0.00 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 3mv8 s LEU 91 Cb -0.14 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 3mv8 s LEU 91 CO 0.02 -0.05 0.01 -0.94 0.23 0.00 0.00 176.35 175.62 3mv8 s SER 92 N 1.27 3.98 -1.35 2.29 1.04 -0.96 -0.90 113.70 119.07 3mv8 s SER 92 Ca 0.02 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.18 3mv8 s SER 92 Cb -0.15 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.55 3mv8 s SER 92 CO -0.10 -0.36 0.48 -1.20 0.98 0.00 0.00 173.24 173.03 3mv8 n SER 93 N -0.96 -1.40 -4.77 7.02 7.64 -1.00 -4.81 113.62 115.34 3mv8 n SER 93 Ca -0.04 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.38 3mv8 n SER 93 Cb 0.65 -2.93 -0.01 0.00 -1.01 0.00 0.00 64.21 60.91 3mv8 n SER 93 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mv8 s LEU 94 N -6.93 4.32 0.31 -3.43 1.43 -0.49 -4.50 118.68 109.40 3mv8 s LEU 94 Ca 0.12 3.03 0.10 0.00 -1.03 0.00 0.00 54.13 56.36 3mv8 s LEU 94 Cb -0.05 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 3mv8 s LEU 94 CO 0.90 -0.89 -0.06 -1.61 0.23 0.00 0.00 176.35 174.91 3mv8 s GLU 95 N -1.65 1.99 0.25 1.70 2.02 -1.26 0.47 118.70 122.22 3mv8 s GLU 95 Ca 0.56 -1.70 -0.03 0.00 0.02 0.00 0.00 54.97 53.83 3mv8 s GLU 95 Cb -0.47 -1.91 0.49 0.00 0.10 0.00 0.00 34.13 32.33 3mv8 s GLU 95 CO 0.59 0.24 1.75 -0.07 0.02 0.00 0.00 175.26 177.80 3mv8 h LEU 96 N 1.98 0.45 0.00 1.80 3.38 -1.93 -0.50 115.31 120.48 3mv8 h LEU 96 Ca -0.42 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3mv8 h LEU 96 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3mv8 h LEU 96 CO 0.64 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.97 3mv8 n GLY 97 N -1.32 -0.44 0.05 0.83 0.00 -1.26 -1.83 105.19 101.22 3mv8 n GLY 97 Ca 0.16 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3mv8 n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mv8 n ASP 98 N -1.09 0.47 -4.66 1.61 8.00 -0.20 -4.85 116.55 115.84 3mv8 n ASP 98 Ca 0.07 0.37 -0.45 0.00 0.71 0.00 0.00 54.79 55.50 3mv8 n ASP 98 Cb 0.05 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 3mv8 n ASP 98 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mv8 n SER 99 N -1.88 3.78 -3.66 -2.24 7.64 -0.76 -4.87 113.62 111.63 3mv8 n SER 99 Ca 0.06 0.85 0.01 0.00 1.01 0.00 0.00 58.87 60.80 3mv8 n SER 99 Cb 0.39 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 3mv8 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mv8 s ALA 100 N 4.75 -2.18 -0.16 -0.43 0.00 -0.60 -4.66 121.76 118.49 3mv8 s ALA 100 Ca 0.92 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 3mv8 s ALA 100 Cb -0.53 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3mv8 s ALA 100 CO 0.45 -1.08 0.34 -0.51 0.00 0.00 0.00 175.76 174.96 3mv8 s LEU 101 N -3.21 4.24 -0.23 0.00 1.43 -0.50 -0.51 118.68 119.90 3mv8 s LEU 101 Ca 0.18 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 3mv8 s LEU 101 Cb 0.02 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3mv8 s LEU 101 CO -0.02 0.07 -0.05 -0.31 0.23 0.00 0.00 176.35 176.27 3mv8 s TYR 102 N 0.57 2.98 -0.07 0.29 1.51 0.51 0.20 117.35 123.33 3mv8 s TYR 102 Ca 0.19 -1.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 3mv8 s TYR 102 Cb -0.13 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3mv8 s TYR 102 CO 0.05 -0.60 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.74 3mv8 s PHE 103 N 1.44 2.88 0.12 2.71 0.08 0.12 -1.12 117.98 124.21 3mv8 s PHE 103 Ca 0.05 -0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.14 3mv8 s PHE 103 Cb -0.15 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3mv8 s PHE 103 CO -0.04 0.28 -0.12 0.00 -0.10 0.00 0.00 175.22 175.25 3mv8 s ALA 105 N -1.25 1.06 0.06 0.00 0.00 0.56 -0.96 121.76 121.24 3mv8 s ALA 105 Ca 0.21 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3mv8 s ALA 105 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3mv8 s ALA 105 CO 0.13 0.09 -0.11 -1.54 0.00 0.00 0.00 175.76 174.33 3mv8 s SER 106 N -1.89 4.35 0.03 0.00 1.04 -0.75 0.14 113.70 116.61 3mv8 s SER 106 Ca -0.01 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 3mv8 s SER 106 Cb -0.08 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.13 3mv8 s SER 106 CO 0.02 0.23 0.24 -0.94 0.98 0.00 0.00 173.24 173.76 3mv8 s SER 107 N -1.81 6.42 0.42 7.02 1.04 -1.26 -1.01 113.70 124.53 3mv8 s SER 107 Ca 0.19 0.43 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 3mv8 s SER 107 Cb -0.11 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 3mv8 s SER 107 CO 0.10 0.22 0.71 0.00 0.98 0.00 0.00 173.24 175.25 3mv8 s ALA 108 N -1.39 3.48 0.33 5.32 0.00 -0.16 -4.41 121.76 124.93 3mv8 s ALA 108 Ca 0.30 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.77 3mv8 s ALA 108 Cb -0.13 -2.47 0.76 0.00 0.00 0.00 0.00 23.12 21.29 3mv8 s ALA 108 CO 0.20 -0.18 1.84 0.00 0.00 0.00 0.00 175.76 177.62 3mv8 h ARG 109 N 0.60 0.74 0.00 0.00 3.08 -1.92 -0.43 114.38 116.44 3mv8 h ARG 109 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3mv8 h ARG 109 Cb 1.20 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3mv8 h ARG 109 CO 0.62 0.49 0.00 0.45 -1.07 0.00 0.00 179.97 180.46 3mv8 n SER 110 N -4.62 0.00 0.00 7.04 2.88 -1.26 -4.88 113.62 112.78 3mv8 n SER 110 Ca 0.19 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 3mv8 n SER 110 Cb 0.49 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 3mv8 n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mv8 n GLY 111 N -0.27 2.04 3.76 0.46 0.00 -0.17 -5.09 105.19 105.92 3mv8 n GLY 111 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3mv8 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mv8 s GLU 112 N -0.18 4.46 -0.16 1.61 8.01 -1.26 -4.66 118.70 126.53 3mv8 s GLU 112 Ca 0.00 1.97 -0.14 0.00 0.01 0.00 0.00 54.97 56.82 3mv8 s GLU 112 Cb 0.00 -3.09 -0.05 0.00 -4.31 0.00 0.00 34.13 26.69 3mv8 s GLU 112 CO 0.00 -0.00 0.29 -0.51 0.01 0.00 0.00 175.26 175.05 3mv8 s LEU 113 N -1.70 4.25 -0.16 1.80 1.43 -1.26 -0.99 118.68 122.05 3mv8 s LEU 113 Ca 0.48 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3mv8 s LEU 113 Cb -0.35 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 3mv8 s LEU 113 CO 0.46 0.11 -0.13 -0.36 0.23 0.00 0.00 176.35 176.66 3mv8 s PHE 114 N 0.39 2.82 0.17 0.29 0.08 -0.18 -4.96 117.98 116.59 3mv8 s PHE 114 Ca 0.16 -0.94 -0.03 0.00 0.12 0.00 0.00 56.93 56.24 3mv8 s PHE 114 Cb -0.13 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 3mv8 s PHE 114 CO 0.04 -0.43 0.39 -0.06 -0.10 0.00 0.00 175.22 175.05 3mv8 s PHE 115 N 0.83 3.48 0.22 0.36 0.40 -1.26 -1.80 117.98 120.21 3mv8 s PHE 115 Ca -0.04 0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 56.72 3mv8 s PHE 115 Cb -0.15 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.49 3mv8 s PHE 115 CO 0.00 0.40 0.29 0.41 0.70 0.00 0.00 175.22 177.03 3mv8 n GLY 116 N -0.25 -1.32 0.38 4.36 0.00 -0.13 -4.38 105.19 103.86 3mv8 n GLY 116 Ca -0.03 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.46 3mv8 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mv8 n GLU 117 N -1.67 1.22 0.00 1.61 -0.58 -1.26 -4.88 120.64 115.08 3mv8 n GLU 117 Ca 0.04 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 3mv8 n GLU 117 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3mv8 n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mv8 n GLY 118 N 1.29 -0.58 3.28 0.62 0.00 -1.26 -4.97 105.19 103.57 3mv8 n GLY 118 Ca 0.14 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3mv8 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mv8 s SER 119 N -1.91 3.79 -0.26 1.61 0.01 -0.28 -4.57 113.70 112.08 3mv8 s SER 119 Ca 0.00 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 56.68 3mv8 s SER 119 Cb 0.00 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3mv8 s SER 119 CO 0.00 0.07 0.33 -0.60 0.41 0.00 0.00 173.24 173.45 3mv8 s ARG 120 N 0.88 4.02 -0.17 12.44 3.52 -0.28 -0.36 118.95 139.00 3mv8 s ARG 120 Ca -0.03 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.47 3mv8 s ARG 120 Cb -0.15 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3mv8 s ARG 120 CO -0.01 -0.22 0.03 -1.17 -0.81 0.00 0.00 175.30 173.12 3mv8 s LEU 121 N 1.90 3.66 -0.18 -0.88 2.96 0.33 -0.57 118.68 125.90 3mv8 s LEU 121 Ca 0.13 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3mv8 s LEU 121 Cb -0.16 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3mv8 s LEU 121 CO 0.10 0.18 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.26 3mv8 s THR 122 N 0.35 2.50 -0.24 3.68 2.01 0.53 -1.55 115.64 122.91 3mv8 s THR 122 Ca 0.01 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 3mv8 s THR 122 Cb -0.13 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3mv8 s THR 122 CO 0.01 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.83 3mv8 s VAL 123 N 1.20 4.42 0.20 3.82 1.01 -1.26 -1.60 120.40 128.18 3mv8 s VAL 123 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.94 3mv8 s VAL 123 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3mv8 s VAL 123 CO -0.07 0.35 0.03 -0.76 0.00 0.00 0.00 175.10 174.65 3mv8 s LEU 124 N 1.45 3.38 0.11 3.92 1.43 -0.17 -4.64 118.68 124.16 3mv8 s LEU 124 Ca 0.06 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 3mv8 s LEU 124 Cb -0.15 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 3mv8 s LEU 124 CO 0.04 0.06 1.69 -0.33 0.23 0.00 0.00 176.35 178.04 3mv8 h GLU 125 N 2.41 -0.17 -4.35 1.70 3.07 -1.95 -0.25 114.58 115.03 3mv8 h GLU 125 Ca -0.47 0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.05 3mv8 h GLU 125 Cb 1.21 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 29.08 3mv8 h GLU 125 CO 0.59 -0.11 -0.25 0.16 -1.40 0.00 0.00 179.01 177.99 3mv8 s ASP 126 N -5.05 1.27 0.00 1.42 3.84 -1.26 -4.05 116.67 112.84 3mv8 s ASP 126 Ca -0.14 -1.62 0.14 0.00 -0.00 0.00 0.00 52.55 50.93 3mv8 s ASP 126 Cb 0.08 0.66 0.34 0.00 -1.38 0.00 0.00 42.92 42.62 3mv8 s ASP 126 CO 0.67 -1.28 1.25 0.18 -0.00 0.00 0.00 175.17 175.99 3mv8 n LEU 127 N -0.62 2.99 0.28 2.11 4.77 -1.26 -4.55 117.00 120.72 3mv8 n LEU 127 Ca 0.03 -1.77 0.18 0.00 -0.03 0.00 0.00 56.01 54.42 3mv8 n LEU 127 Cb 0.61 -0.23 0.81 0.00 -2.33 0.00 0.00 43.42 42.28 3mv8 n LEU 127 CO 0.31 0.71 1.03 0.07 -1.33 0.00 0.00 177.39 178.18 3mv8 h LYS 128 N 2.71 0.00 -0.43 3.23 2.10 -1.98 -2.74 116.57 119.45 3mv8 h LYS 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mv8 h LYS 128 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3mv8 h LYS 128 CO 0.00 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.72 3mv8 n ASN 129 N -2.97 3.18 -4.70 7.07 0.23 -1.26 -4.94 115.26 111.86 3mv8 n ASN 129 Ca -0.00 -1.96 -0.42 0.00 -0.53 0.00 0.00 54.58 51.67 3mv8 n ASN 129 Cb 0.22 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.61 3mv8 n ASN 129 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mv8 s VAL 130 N -1.43 4.19 -0.01 3.53 1.01 -1.04 -4.65 120.40 121.99 3mv8 s VAL 130 Ca 0.39 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.94 3mv8 s VAL 130 Cb 0.22 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3mv8 s VAL 130 CO 0.30 0.08 -0.04 -0.36 0.00 0.00 0.00 175.10 175.08 3mv8 s PHE 131 N 1.46 0.45 0.70 5.22 0.08 0.13 -4.77 117.98 121.24 3mv8 s PHE 131 Ca 0.57 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 3mv8 s PHE 131 Cb -0.27 -0.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 3mv8 s PHE 131 CO 0.27 -0.05 1.07 -1.25 -0.10 0.00 0.00 175.22 175.15 3mv8 s PRO 132 N 0.20 2.94 0.46 0.24 0.04 -1.26 -0.89 135.00 136.73 3mv8 s PRO 132 Ca -0.02 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 3mv8 s PRO 132 Cb -0.05 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3mv8 s PRO 132 CO -0.00 -1.05 0.94 -1.25 0.04 0.00 0.00 177.00 175.68 3mv8 s PRO 133 N -5.15 4.03 0.09 0.56 0.04 -1.26 -4.25 135.00 129.05 3mv8 s PRO 133 Ca 0.58 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3mv8 s PRO 133 Cb -0.13 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 3mv8 s PRO 133 CO 0.54 -0.14 0.45 -1.21 0.04 0.00 0.00 177.00 176.68 3mv8 s GLU 134 N -3.68 3.84 0.02 4.56 2.02 -0.57 -4.88 118.70 120.01 3mv8 s GLU 134 Ca 0.59 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.92 3mv8 s GLU 134 Cb -0.10 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3mv8 s GLU 134 CO 0.24 0.55 -0.14 0.14 0.02 0.00 0.00 175.26 176.06 3mv8 s VAL 135 N -1.39 1.15 0.03 2.63 -7.23 -1.26 -0.92 120.40 113.41 3mv8 s VAL 135 Ca 0.34 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.65 3mv8 s VAL 135 Cb -0.14 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 3mv8 s VAL 135 CO 0.18 0.13 -0.07 0.00 -0.31 0.00 0.00 175.10 175.02 3mv8 s ALA 136 N -0.66 0.52 -0.13 1.32 0.00 -0.91 -4.51 121.76 117.39 3mv8 s ALA 136 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 3mv8 s ALA 136 Cb -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3mv8 s ALA 136 CO 0.01 -0.01 -0.09 0.08 0.00 0.00 0.00 175.76 175.75 3mv8 s VAL 137 N -1.22 3.46 -0.19 0.00 1.01 -1.26 -1.75 120.40 120.46 3mv8 s VAL 137 Ca -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3mv8 s VAL 137 Cb -0.09 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3mv8 s VAL 137 CO 0.00 0.53 0.01 -0.36 0.00 0.00 0.00 175.10 175.27 3mv8 s PHE 138 N 0.14 3.08 0.48 5.22 0.40 1.00 -4.98 117.98 123.31 3mv8 s PHE 138 Ca -0.04 -0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 3mv8 s PHE 138 Cb -0.14 -2.05 -0.09 0.00 0.51 0.00 0.00 43.02 41.24 3mv8 s PHE 138 CO 0.04 -0.10 0.96 -1.21 0.70 0.00 0.00 175.22 175.61 3mv8 s GLU 139 N 0.70 4.06 0.42 0.44 2.02 -1.26 -1.82 118.70 123.26 3mv8 s GLU 139 Ca 0.00 1.01 -0.26 0.00 0.02 0.00 0.00 54.97 55.74 3mv8 s GLU 139 Cb -0.14 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 3mv8 s GLU 139 CO 0.02 -0.16 1.35 -2.14 0.02 0.00 0.00 175.26 174.34 3mv8 s PRO 140 N -3.70 3.86 0.31 0.39 0.02 -1.20 -4.91 135.00 129.77 3mv8 s PRO 140 Ca 0.60 2.25 -0.29 0.00 0.02 0.00 0.00 61.00 63.58 3mv8 s PRO 140 Cb -0.10 -2.72 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 3mv8 s PRO 140 CO 0.24 -0.61 1.21 -1.54 -0.33 0.00 0.00 177.00 175.97 3mv8 s SER 141 N -0.65 7.00 0.47 2.53 1.04 -1.26 -4.91 113.70 117.91 3mv8 s SER 141 Ca 0.58 2.50 0.15 0.00 0.48 0.00 0.00 55.95 59.66 3mv8 s SER 141 Cb -0.40 -2.64 1.12 0.00 0.10 0.00 0.00 66.02 64.20 3mv8 s SER 141 CO 0.52 -0.36 2.06 -0.08 0.98 0.00 0.00 173.24 176.36 3mv8 h GLU 142 N 3.60 0.24 -0.59 4.02 4.57 -1.99 -2.50 114.58 121.93 3mv8 h GLU 142 Ca -0.48 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 3mv8 h GLU 142 Cb 1.22 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3mv8 h GLU 142 CO 0.66 0.16 0.20 0.00 -1.18 0.00 0.00 179.01 178.85 3mv8 h ALA 143 N 1.81 0.77 0.29 2.92 0.00 -1.99 -1.27 119.26 121.80 3mv8 h ALA 143 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mv8 h ALA 143 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mv8 h ALA 143 CO -0.03 0.42 -0.14 1.49 0.00 0.00 0.00 179.25 180.99 3mv8 h GLU 144 N 0.83 -0.37 -0.47 0.00 4.81 -1.79 -0.27 114.58 117.32 3mv8 h GLU 144 Ca 0.19 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 3mv8 h GLU 144 Cb 0.26 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 3mv8 h GLU 144 CO -0.01 -0.20 -0.19 0.82 -0.73 0.00 0.00 179.01 178.70 3mv8 h ILE 145 N -0.45 0.40 -0.48 2.32 2.04 -1.44 0.37 117.51 120.27 3mv8 h ILE 145 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3mv8 h ILE 145 Cb 0.34 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3mv8 h ILE 145 CO 0.06 0.00 0.18 0.28 0.00 0.00 0.00 178.15 178.68 3mv8 h SER 146 N -0.09 0.62 0.54 1.72 0.02 -1.12 -0.22 113.55 115.02 3mv8 h SER 146 Ca 0.22 -0.07 -0.29 0.00 -0.84 0.00 0.00 61.79 60.82 3mv8 h SER 146 Cb 0.44 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3mv8 h SER 146 CO -0.53 0.57 -1.58 -0.74 -1.14 0.00 0.00 176.83 173.41 3mv8 h HIS 147 N 0.68 0.11 0.00 3.45 -0.00 0.17 -3.42 115.15 116.14 3mv8 h HIS 147 Ca 0.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 3mv8 h HIS 147 Cb 0.15 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3mv8 h HIS 147 CO 0.01 1.13 -1.07 0.25 -0.00 0.00 0.00 177.93 178.25 3mv8 n THR 148 N -3.20 0.05 -1.20 6.26 -2.24 0.12 -5.01 114.28 109.06 3mv8 n THR 148 Ca -0.15 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 3mv8 n THR 148 Cb 1.03 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3mv8 n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mv8 n GLN 149 N -1.82 -0.59 -4.62 -0.78 1.13 -0.10 -5.04 117.38 105.56 3mv8 n GLN 149 Ca -0.01 0.69 -0.28 0.00 -1.94 0.00 0.00 57.00 55.46 3mv8 n GLN 149 Cb 0.32 -4.49 -0.11 0.00 0.11 0.00 0.00 30.24 26.06 3mv8 n GLN 149 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3mv8 s LYS 150 N -2.39 1.95 -0.16 -1.09 3.01 -1.26 -1.35 119.74 118.46 3mv8 s LYS 150 Ca 0.00 -2.11 -0.04 0.00 -1.01 0.00 0.00 55.97 52.80 3mv8 s LYS 150 Cb 0.00 -1.58 0.08 0.00 -1.01 0.00 0.00 37.83 35.31 3mv8 s LYS 150 CO 0.00 -0.08 0.24 0.00 0.51 0.00 0.00 175.35 176.02 3mv8 s ALA 151 N -2.76 -0.43 -0.21 5.17 0.00 0.11 -3.11 121.76 120.54 3mv8 s ALA 151 Ca 0.34 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 3mv8 s ALA 151 Cb 0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 3mv8 s ALA 151 CO 0.17 -0.87 0.12 0.99 0.00 0.00 0.00 175.76 176.17 3mv8 s THR 152 N 2.38 5.24 -0.08 0.00 2.01 -1.26 -0.68 115.64 123.25 3mv8 s THR 152 Ca 0.04 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 3mv8 s THR 152 Cb -0.14 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3mv8 s THR 152 CO -0.10 0.42 0.12 -0.76 -0.69 0.00 0.00 174.62 173.62 3mv8 s LEU 153 N 0.53 4.22 -0.12 4.42 1.02 0.17 -3.26 118.68 125.68 3mv8 s LEU 153 Ca 0.07 0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.60 3mv8 s LEU 153 Cb -0.12 -2.17 -0.01 0.00 0.02 0.00 0.00 46.19 43.91 3mv8 s LEU 153 CO -0.00 0.36 -0.18 -0.69 0.02 0.00 0.00 176.35 175.86 3mv8 s VAL 154 N -1.09 2.63 -0.10 -1.59 1.01 -0.76 -0.71 120.40 119.79 3mv8 s VAL 154 Ca 0.18 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3mv8 s VAL 154 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3mv8 s VAL 154 CO 0.08 0.54 0.07 0.00 0.00 0.00 0.00 175.10 175.78 3mv8 s LEU 156 N -0.94 1.58 -0.26 0.00 1.02 -0.71 -0.97 118.68 118.40 3mv8 s LEU 156 Ca 0.14 -0.44 -0.09 0.00 0.02 0.00 0.00 54.13 53.76 3mv8 s LEU 156 Cb -0.12 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.95 3mv8 s LEU 156 CO 0.03 -0.07 0.11 0.00 0.02 0.00 0.00 176.35 176.45 3mv8 s ALA 157 N 1.52 3.29 0.14 4.21 0.00 0.10 -2.14 121.76 128.88 3mv8 s ALA 157 Ca 0.05 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.96 3mv8 s ALA 157 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3mv8 s ALA 157 CO -0.10 -0.51 -0.15 0.95 0.00 0.00 0.00 175.76 175.95 3mv8 s THR 158 N 1.66 1.47 -1.21 0.00 -4.23 -0.09 -0.10 115.64 113.14 3mv8 s THR 158 Ca 0.07 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 3mv8 s THR 158 Cb -0.15 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.04 3mv8 s THR 158 CO 0.06 -0.41 0.39 0.61 -0.54 0.00 0.00 174.62 174.73 3mv8 n GLY 159 N 0.40 -0.24 3.72 3.99 0.00 -0.47 -1.51 105.19 111.08 3mv8 n GLY 159 Ca -0.14 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3mv8 n GLY 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mv8 s PHE 160 N -2.99 3.10 -0.16 1.61 -0.71 -1.07 -4.58 117.98 113.18 3mv8 s PHE 160 Ca 0.19 0.06 -0.11 0.00 -1.04 0.00 0.00 56.93 56.03 3mv8 s PHE 160 Cb -0.09 -1.62 0.05 0.00 -1.21 0.00 0.00 43.02 40.16 3mv8 s PHE 160 CO 0.24 0.49 0.41 -0.47 -1.34 0.00 0.00 175.22 174.55 3mv8 s TYR 161 N -1.25 -0.55 0.00 3.49 5.04 -0.07 0.31 117.35 124.32 3mv8 s TYR 161 Ca 0.25 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 3mv8 s TYR 161 Cb -0.12 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.42 3mv8 s TYR 161 CO 0.16 -0.29 0.00 -0.35 -1.34 0.00 0.00 175.55 173.73 3mv8 n PRO 162 N 3.70 2.63 0.00 4.97 -0.04 -1.26 0.20 135.00 145.21 3mv8 n PRO 162 Ca -0.19 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.33 3mv8 n PRO 162 Cb 0.56 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.35 3mv8 n PRO 162 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3mv8 n ASP 163 N 0.00 0.00 -4.55 3.54 2.03 -1.26 -4.76 116.55 111.55 3mv8 n ASP 163 Ca 0.00 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 3mv8 n ASP 163 Cb 0.00 -0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 3mv8 n ASP 163 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3mv8 s HIS 164 N -2.64 2.64 0.03 -0.67 3.76 -1.26 -4.95 115.29 112.19 3mv8 s HIS 164 Ca 0.12 -1.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.01 3mv8 s HIS 164 Cb 0.09 -4.67 -0.02 0.00 1.11 0.00 0.00 32.58 29.09 3mv8 s HIS 164 CO 0.21 -1.87 -0.10 0.14 -0.85 0.00 0.00 174.74 172.27 3mv8 s VAL 165 N 4.61 0.74 -0.20 -0.90 -7.23 -1.26 -2.11 120.40 114.05 3mv8 s VAL 165 Ca 0.46 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 3mv8 s VAL 165 Cb 0.00 -0.70 0.05 0.00 0.56 0.00 0.00 36.38 36.29 3mv8 s VAL 165 CO -0.07 -0.10 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.94 3mv8 s GLU 166 N -1.03 1.71 -0.16 4.82 2.02 -0.59 -4.99 118.70 120.48 3mv8 s GLU 166 Ca -0.02 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 3mv8 s GLU 166 Cb -0.07 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 3mv8 s GLU 166 CO 0.01 -0.48 0.10 -1.17 0.02 0.00 0.00 175.26 173.74 3mv8 s LEU 167 N 1.47 4.11 0.04 1.80 0.20 -1.26 -1.11 118.68 123.94 3mv8 s LEU 167 Ca -0.02 0.26 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 3mv8 s LEU 167 Cb -0.17 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 3mv8 s LEU 167 CO -0.07 0.27 -0.00 -0.94 -0.29 0.00 0.00 176.35 175.31 3mv8 s SER 168 N -0.18 0.36 -0.12 3.68 1.04 0.01 -5.02 113.70 113.46 3mv8 s SER 168 Ca 0.09 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 3mv8 s SER 168 Cb -0.12 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3mv8 s SER 168 CO 0.01 -0.51 -0.06 0.26 0.98 0.00 0.00 173.24 173.92 3mv8 s TRP 169 N -3.02 2.96 -0.19 5.02 0.52 -1.26 -1.11 118.94 121.86 3mv8 s TRP 169 Ca -0.01 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.86 3mv8 s TRP 169 Cb 0.01 -1.86 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3mv8 s TRP 169 CO -0.07 0.05 -0.15 -1.58 0.02 0.00 0.00 176.95 175.22 3mv8 s TRP 170 N -0.01 2.62 -0.24 -1.98 0.52 0.41 -1.11 118.94 119.16 3mv8 s TRP 170 Ca -0.00 -1.62 -0.04 0.00 0.02 0.00 0.00 56.10 54.45 3mv8 s TRP 170 Cb -0.13 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 3mv8 s TRP 170 CO 0.03 -0.77 -0.02 0.08 0.02 0.00 0.00 176.95 176.29 3mv8 s VAL 171 N 1.33 3.44 -1.34 4.03 1.01 0.51 -0.39 120.40 129.00 3mv8 s VAL 171 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3mv8 s VAL 171 Cb -0.15 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.62 3mv8 s VAL 171 CO -0.10 0.31 0.43 0.59 0.00 0.00 0.00 175.10 176.32 3mv8 n ASN 172 N 4.79 -4.51 0.00 3.32 3.02 -0.20 -1.97 115.26 119.72 3mv8 n ASN 172 Ca -0.17 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3mv8 n ASN 172 Cb 0.50 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 3mv8 n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mv8 n GLY 173 N -1.21 0.76 3.38 7.41 0.00 -1.26 -5.05 105.19 109.22 3mv8 n GLY 173 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3mv8 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv8 s LYS 174 N -0.47 2.03 0.12 1.61 -0.14 -0.83 -5.09 119.74 116.98 3mv8 s LYS 174 Ca 0.00 -0.98 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 3mv8 s LYS 174 Cb 0.00 -2.09 -0.06 0.00 -1.68 0.00 0.00 37.83 34.00 3mv8 s LYS 174 CO 0.00 0.55 1.01 -2.00 -0.76 0.00 0.00 175.35 174.14 3mv8 s GLU 175 N -1.05 4.66 0.09 1.68 2.12 -1.26 -0.36 118.70 124.58 3mv8 s GLU 175 Ca 0.12 1.53 0.08 0.00 0.36 0.00 0.00 54.97 57.06 3mv8 s GLU 175 Cb -0.10 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3mv8 s GLU 175 CO 0.02 0.15 -0.17 0.14 -0.54 0.00 0.00 175.26 174.86 3mv8 s VAL 176 N 0.03 2.90 0.00 3.70 -7.23 -0.26 -4.92 120.40 114.61 3mv8 s VAL 176 Ca 0.48 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3mv8 s VAL 176 Cb -0.25 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3mv8 s VAL 176 CO 0.31 0.18 0.00 1.41 -0.31 0.00 0.00 175.10 176.69 3mv8 n HIS 177 N 1.02 0.00 -2.66 2.82 8.25 -1.26 -4.45 115.22 118.94 3mv8 n HIS 177 Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 3mv8 n HIS 177 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3mv8 n HIS 177 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3mv8 s SER 178 N -2.10 7.34 0.00 0.41 0.15 -1.26 -3.40 113.70 114.84 3mv8 s SER 178 Ca 0.00 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3mv8 s SER 178 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3mv8 s SER 178 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3mv8 n GLY 179 N 2.77 0.49 3.44 9.45 0.00 -1.26 -4.84 105.19 115.24 3mv8 n GLY 179 Ca 0.06 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3mv8 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv8 s VAL 180 N -2.00 2.88 -0.06 1.61 0.11 -1.22 -0.30 120.40 121.43 3mv8 s VAL 180 Ca 0.00 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 3mv8 s VAL 180 Cb 0.00 -2.11 0.02 0.00 -1.53 0.00 0.00 36.38 32.75 3mv8 s VAL 180 CO 0.00 0.59 0.18 0.00 -3.33 0.00 0.00 175.10 172.54 3mv8 s THR 182 N -0.08 1.86 0.14 0.00 -4.23 -1.26 -0.97 115.64 111.09 3mv8 s THR 182 Ca -0.02 -1.34 -0.34 0.00 -1.18 0.00 0.00 61.69 58.81 3mv8 s THR 182 Cb -0.02 -1.62 -0.16 0.00 1.34 0.00 0.00 72.50 72.04 3mv8 s THR 182 CO 0.00 0.21 1.18 0.47 -0.54 0.00 0.00 174.62 175.95 3mv8 n ASP 183 N 1.67 1.23 -0.23 3.99 10.43 -0.74 -4.86 116.55 128.03 3mv8 n ASP 183 Ca -0.17 1.14 -0.02 0.00 2.57 0.00 0.00 54.79 58.31 3mv8 n ASP 183 Cb 0.53 -1.18 0.18 0.00 1.84 0.00 0.00 41.12 42.49 3mv8 n ASP 183 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3mv8 h PRO 184 N 3.58 1.04 -6.16 -0.24 0.11 -1.98 -3.43 132.00 124.91 3mv8 h PRO 184 Ca -0.44 -0.12 -0.56 0.00 0.11 0.00 0.00 66.00 64.99 3mv8 h PRO 184 Cb 1.35 -0.20 -0.22 0.00 0.11 0.00 0.00 31.00 32.04 3mv8 h PRO 184 CO 0.71 0.77 -0.83 -0.65 -0.21 0.00 0.00 178.00 177.79 3mv8 s GLN 185 N -5.68 1.13 0.60 1.05 -1.52 -1.26 -5.15 119.66 108.83 3mv8 s GLN 185 Ca -0.11 -1.16 -0.14 0.00 -1.95 0.00 0.00 55.36 52.00 3mv8 s GLN 185 Cb 0.17 -1.39 -0.04 0.00 -0.22 0.00 0.00 33.01 31.53 3mv8 s GLN 185 CO 0.80 0.32 1.04 -2.14 -0.25 0.00 0.00 175.29 175.06 3mv8 s PRO 186 N -1.89 3.45 -0.01 2.91 0.02 -1.26 -4.93 135.00 133.28 3mv8 s PRO 186 Ca 0.06 1.04 -0.15 0.00 0.02 0.00 0.00 61.00 61.97 3mv8 s PRO 186 Cb -0.10 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 3mv8 s PRO 186 CO 0.04 -0.69 0.40 -1.17 -0.33 0.00 0.00 177.00 175.25 3mv8 s LEU 187 N -4.67 4.46 -0.37 -5.54 2.96 0.26 -4.87 118.68 110.91 3mv8 s LEU 187 Ca 0.60 0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 55.16 3mv8 s LEU 187 Cb -0.13 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 44.00 3mv8 s LEU 187 CO 0.41 0.30 1.20 -0.54 -1.32 0.00 0.00 176.35 176.40 3mv8 s LYS 188 N -0.93 3.87 0.40 1.98 1.02 -1.26 -0.24 119.74 124.58 3mv8 s LYS 188 Ca 0.23 0.97 0.09 0.00 0.02 0.00 0.00 55.97 57.29 3mv8 s LYS 188 Cb -0.16 -3.86 0.84 0.00 -0.52 0.00 0.00 37.83 34.13 3mv8 s LYS 188 CO 0.13 -1.18 1.97 0.93 -0.92 0.00 0.00 175.35 176.28 3mv8 h GLU 189 N 9.08 0.30 -2.07 1.68 5.08 -1.54 -3.29 114.58 123.82 3mv8 h GLU 189 Ca -0.24 -0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 3mv8 h GLU 189 Cb 1.08 -0.05 -0.40 0.00 0.50 0.00 0.00 28.75 29.87 3mv8 h GLU 189 CO 1.07 0.34 -0.94 1.04 -1.00 0.00 0.00 179.01 179.52 3mv8 n GLN 190 N -4.35 1.31 -0.37 2.33 6.02 -1.26 -5.02 117.38 116.04 3mv8 n GLN 190 Ca 0.00 -3.70 0.29 0.00 -0.01 0.00 0.00 57.00 53.58 3mv8 n GLN 190 Cb 0.20 -1.56 0.59 0.00 1.02 0.00 0.00 30.24 30.49 3mv8 n GLN 190 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3mv8 h PRO 191 N 4.07 0.23 0.00 -1.09 0.13 -1.94 0.21 132.00 133.62 3mv8 h PRO 191 Ca 0.11 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3mv8 h PRO 191 Cb 0.81 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3mv8 h PRO 191 CO 0.58 0.15 -0.08 0.00 -0.23 0.00 0.00 178.00 178.42 3mv8 h ALA 192 N 1.57 1.01 -2.63 -0.56 0.00 -1.95 -3.43 119.26 113.26 3mv8 h ALA 192 Ca 0.66 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.98 3mv8 h ALA 192 Cb 1.98 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3mv8 h ALA 192 CO -0.29 0.10 0.30 -1.17 0.00 0.00 0.00 179.25 178.20 3mv8 s LEU 193 N -6.40 4.52 0.11 0.00 2.96 0.74 -4.99 118.68 115.63 3mv8 s LEU 193 Ca 0.01 1.73 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 3mv8 s LEU 193 Cb 0.09 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 3mv8 s LEU 193 CO 0.59 0.01 1.55 -0.55 -1.32 0.00 0.00 176.35 176.63 3mv8 h ASN 194 N 5.27 0.64 -0.96 3.68 -1.07 -1.85 -2.94 115.58 118.36 3mv8 h ASN 194 Ca -0.44 -0.32 -0.65 0.00 0.07 0.00 0.00 56.30 54.97 3mv8 h ASN 194 Cb 1.21 -0.17 -0.28 0.00 -2.07 0.00 0.00 38.32 37.01 3mv8 h ASN 194 CO 0.70 0.81 0.84 -0.90 0.07 0.00 0.00 177.43 178.95 3mv8 n ASP 195 N -4.47 7.56 -4.67 6.14 5.75 -1.26 -5.01 116.55 120.59 3mv8 n ASP 195 Ca -0.02 -3.73 -0.44 0.00 -0.01 0.00 0.00 54.79 50.59 3mv8 n ASP 195 Cb 0.29 -0.98 -0.02 0.00 -1.03 0.00 0.00 41.12 39.37 3mv8 n ASP 195 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3mv8 n SER 196 N -0.82 2.74 -4.79 -1.12 2.88 -1.11 -4.98 113.62 106.42 3mv8 n SER 196 Ca 0.60 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.98 3mv8 n SER 196 Cb 0.67 -1.43 0.08 0.00 -0.75 0.00 0.00 64.21 62.77 3mv8 n SER 196 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mv8 s ARG 197 N -0.59 2.48 0.18 -1.46 0.52 -1.26 -4.86 118.95 113.95 3mv8 s ARG 197 Ca 0.67 1.03 0.08 0.00 -0.52 0.00 0.00 55.73 56.99 3mv8 s ARG 197 Cb -0.64 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3mv8 s ARG 197 CO 0.51 -1.45 -0.03 0.71 0.02 0.00 0.00 175.30 175.07 3mv8 s TYR 198 N -2.98 2.78 0.06 -0.53 2.02 0.15 -1.35 117.35 117.50 3mv8 s TYR 198 Ca 0.60 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 57.22 3mv8 s TYR 198 Cb -0.16 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3mv8 s TYR 198 CO 0.56 0.52 -0.22 0.00 -1.57 0.00 0.00 175.55 174.83 3mv8 s ALA 199 N -1.75 1.90 -0.03 3.71 0.00 0.66 -1.37 121.76 124.88 3mv8 s ALA 199 Ca 0.27 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3mv8 s ALA 199 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3mv8 s ALA 199 CO 0.18 0.42 0.08 -1.17 0.00 0.00 0.00 175.76 175.27 3mv8 s LEU 200 N -1.43 1.43 0.18 0.00 2.96 0.86 0.92 118.68 123.60 3mv8 s LEU 200 Ca 0.08 0.17 0.11 0.00 -0.22 0.00 0.00 54.13 54.27 3mv8 s LEU 200 Cb -0.09 0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.79 3mv8 s LEU 200 CO 0.03 -0.06 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.83 3mv8 s SER 201 N 0.40 3.53 -0.02 3.68 1.04 -1.26 0.02 113.70 121.09 3mv8 s SER 201 Ca -0.03 -0.81 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 3mv8 s SER 201 Cb -0.04 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3mv8 s SER 201 CO -0.02 0.13 0.14 -0.55 0.98 0.00 0.00 173.24 173.92 3mv8 s SER 202 N -2.61 -0.03 -0.05 7.02 0.15 -0.14 -1.80 113.70 116.24 3mv8 s SER 202 Ca 0.20 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.87 3mv8 s SER 202 Cb -0.08 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3mv8 s SER 202 CO 0.10 -0.26 -0.21 -0.13 1.20 0.00 0.00 173.24 173.94 3mv8 s ARG 203 N -0.89 2.44 -0.16 5.44 3.00 -0.15 -0.14 118.95 128.50 3mv8 s ARG 203 Ca -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 55.73 54.81 3mv8 s ARG 203 Cb -0.05 -2.22 0.02 0.00 0.00 0.00 0.00 34.95 32.69 3mv8 s ARG 203 CO 0.01 0.51 -0.17 -1.17 0.00 0.00 0.00 175.30 174.48 3mv8 s LEU 204 N -0.47 1.89 -0.20 2.53 2.96 0.11 -1.77 118.68 123.73 3mv8 s LEU 204 Ca 0.05 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3mv8 s LEU 204 Cb -0.12 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3mv8 s LEU 204 CO 0.01 -0.03 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.39 3mv8 s ARG 205 N 1.40 3.56 0.46 1.98 3.52 0.59 0.46 118.95 130.93 3mv8 s ARG 205 Ca 0.05 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.14 3mv8 s ARG 205 Cb -0.13 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3mv8 s ARG 205 CO -0.12 -0.01 0.05 0.14 -0.81 0.00 0.00 175.30 174.56 3mv8 s VAL 206 N 1.03 1.67 0.59 7.11 -7.23 0.14 -4.66 120.40 119.05 3mv8 s VAL 206 Ca 0.01 -1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 3mv8 s VAL 206 Cb -0.14 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3mv8 s VAL 206 CO 0.01 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 174.96 3mv8 s SER 207 N -3.84 5.58 0.21 4.85 1.04 -1.26 0.07 113.70 120.35 3mv8 s SER 207 Ca 0.23 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.58 3mv8 s SER 207 Cb 0.05 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.87 3mv8 s SER 207 CO 0.12 -1.31 1.80 0.00 0.98 0.00 0.00 173.24 174.83 3mv8 h ALA 208 N 0.65 0.90 -0.45 5.32 0.00 -1.43 -1.18 119.26 123.07 3mv8 h ALA 208 Ca -0.48 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.54 3mv8 h ALA 208 Cb 1.24 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 3mv8 h ALA 208 CO 0.56 0.02 -0.05 1.15 0.00 0.00 0.00 179.25 180.93 3mv8 h THR 209 N 0.66 0.60 -0.65 0.00 2.02 -1.93 0.16 112.91 113.78 3mv8 h THR 209 Ca 0.31 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 3mv8 h THR 209 Cb 0.22 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3mv8 h THR 209 CO -0.20 0.01 0.36 0.15 0.37 0.00 0.00 175.52 176.21 3mv8 h PHE 210 N 0.05 0.89 0.00 3.16 3.04 -1.66 -1.63 116.94 120.80 3mv8 h PHE 210 Ca 0.22 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 3mv8 h PHE 210 Cb 0.33 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3mv8 h PHE 210 CO -0.34 0.63 -0.27 2.35 -2.02 0.00 0.00 178.31 178.66 3mv8 h TRP 211 N 0.89 0.00 -0.20 0.41 2.91 -0.88 -3.15 115.95 115.93 3mv8 h TRP 211 Ca 0.23 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 3mv8 h TRP 211 Cb 0.03 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 3mv8 h TRP 211 CO -0.01 0.27 0.05 1.04 -1.03 0.00 0.00 178.44 178.75 3mv8 n GLN 212 N -3.69 1.97 -3.89 2.65 6.02 0.53 -1.65 117.38 119.32 3mv8 n GLN 212 Ca -0.01 -0.92 -0.35 0.00 -0.01 0.00 0.00 57.00 55.70 3mv8 n GLN 212 Cb 0.38 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 3mv8 n GLN 212 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3mv8 s ASN 213 N -0.09 4.75 0.14 1.08 3.04 -1.19 -3.72 114.94 118.94 3mv8 s ASN 213 Ca 0.16 -1.04 0.12 0.00 0.04 0.00 0.00 52.86 52.15 3mv8 s ASN 213 Cb 0.13 -1.73 0.60 0.00 -1.54 0.00 0.00 41.25 38.70 3mv8 s ASN 213 CO 0.04 -0.21 1.37 -2.65 -3.04 0.00 0.00 177.10 172.62 3mv8 n PRO 214 N 4.69 0.07 0.06 0.43 -0.02 -1.26 -1.27 135.00 137.71 3mv8 n PRO 214 Ca -0.14 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 3mv8 n PRO 214 Cb 0.45 -1.69 0.17 0.00 -0.02 0.00 0.00 33.50 32.41 3mv8 n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mv8 h ARG 215 N 0.00 0.00 -6.34 -0.52 3.08 -1.94 -3.38 114.38 105.28 3mv8 h ARG 215 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3mv8 h ARG 215 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3mv8 h ARG 215 CO 0.00 0.00 0.59 -0.80 -1.07 0.00 0.00 179.97 178.69 3mv8 s ASN 216 N -4.29 7.15 -0.11 7.04 0.02 -0.40 -4.96 114.94 119.40 3mv8 s ASN 216 Ca 0.06 1.75 0.03 0.00 -1.02 0.00 0.00 52.86 53.68 3mv8 s ASN 216 Cb 0.13 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.83 3mv8 s ASN 216 CO 0.72 -0.48 -0.21 -2.28 0.02 0.00 0.00 177.10 174.87 3mv8 s HIS 217 N 1.80 2.64 -0.11 2.20 5.65 -1.26 -1.09 115.29 125.11 3mv8 s HIS 217 Ca 0.54 -0.94 0.03 0.00 0.25 0.00 0.00 55.06 54.94 3mv8 s HIS 217 Cb -0.23 -1.75 0.01 0.00 -1.18 0.00 0.00 32.58 29.42 3mv8 s HIS 217 CO 0.23 -0.36 -0.21 -0.06 -0.65 0.00 0.00 174.74 173.69 3mv8 s PHE 218 N 0.36 2.39 -0.05 3.88 0.40 0.45 -1.03 117.98 124.37 3mv8 s PHE 218 Ca -0.16 -1.06 0.02 0.00 -0.60 0.00 0.00 56.93 55.13 3mv8 s PHE 218 Cb -0.17 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.74 3mv8 s PHE 218 CO 0.08 -0.46 -0.09 0.50 0.70 0.00 0.00 175.22 175.94 3mv8 s ARG 219 N 0.59 1.28 -0.21 0.44 3.52 0.48 0.13 118.95 125.18 3mv8 s ARG 219 Ca -0.14 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.02 3mv8 s ARG 219 Cb -0.17 -1.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.06 3mv8 s ARG 219 CO 0.04 0.00 0.39 0.00 -0.81 0.00 0.00 175.30 174.93 3mv8 s GLN 221 N 1.39 3.39 -0.27 0.00 0.74 -0.27 -1.88 119.66 122.76 3mv8 s GLN 221 Ca 0.19 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.94 3mv8 s GLN 221 Cb -0.15 -2.73 0.05 0.00 1.10 0.00 0.00 33.01 31.29 3mv8 s GLN 221 CO 0.08 0.11 -0.07 0.08 -0.55 0.00 0.00 175.29 174.94 3mv8 s VAL 222 N 0.62 2.49 -0.12 1.34 1.01 0.48 -0.81 120.40 125.41 3mv8 s VAL 222 Ca -0.06 -1.48 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 3mv8 s VAL 222 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3mv8 s VAL 222 CO 0.03 -0.01 0.93 -1.58 0.00 0.00 0.00 175.10 174.46 3mv8 s GLN 223 N 1.18 4.39 -0.10 2.72 2.00 -0.26 -0.10 119.66 129.47 3mv8 s GLN 223 Ca -0.06 1.24 -0.00 0.00 -2.00 0.00 0.00 55.36 54.53 3mv8 s GLN 223 Cb -0.19 -3.54 -0.02 0.00 0.80 0.00 0.00 33.01 30.05 3mv8 s GLN 223 CO -0.04 -0.28 -0.10 0.12 -0.50 0.00 0.00 175.29 174.50 3mv8 s PHE 224 N 1.92 2.87 -0.23 1.67 5.36 0.20 -1.55 117.98 128.22 3mv8 s PHE 224 Ca 0.44 -0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 56.04 3mv8 s PHE 224 Cb -0.18 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 3mv8 s PHE 224 CO 0.17 0.04 0.06 0.71 -1.46 0.00 0.00 175.22 174.74 3mv8 s TYR 225 N -0.15 3.09 0.00 10.12 1.51 -0.90 -0.76 117.35 130.27 3mv8 s TYR 225 Ca 0.01 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 3mv8 s TYR 225 Cb -0.13 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 3mv8 s TYR 225 CO 0.03 -0.29 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 3mv8 n GLY 226 N 4.68 4.20 3.78 0.71 0.00 -1.26 -4.69 105.19 112.62 3mv8 n GLY 226 Ca -0.16 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3mv8 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mv8 s LEU 227 N 0.00 3.68 -0.54 0.99 1.02 -0.04 -4.49 118.68 119.30 3mv8 s LEU 227 Ca 0.00 2.04 -0.00 0.00 0.02 0.00 0.00 54.13 56.19 3mv8 s LEU 227 Cb 0.00 -4.57 0.46 0.00 0.02 0.00 0.00 46.19 42.11 3mv8 s LEU 227 CO 0.00 -1.17 1.97 -0.24 0.02 0.00 0.00 176.35 176.93 3mv8 n SER 228 N -1.49 6.33 0.00 2.29 2.88 -1.26 -2.45 113.62 119.92 3mv8 n SER 228 Ca 0.10 -3.59 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 3mv8 n SER 228 Cb 0.52 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 3mv8 n SER 228 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mv8 n GLU 229 N -0.76 0.00 0.05 -1.46 -0.58 -1.26 -4.26 120.64 112.37 3mv8 n GLU 229 Ca 0.56 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.41 3mv8 n GLU 229 Cb 0.92 -2.17 0.01 0.00 -0.57 0.00 0.00 31.44 29.63 3mv8 n GLU 229 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3mv8 n ASN 230 N 0.02 0.63 -4.77 1.62 0.23 -1.26 -4.93 115.26 106.80 3mv8 n ASN 230 Ca 0.00 0.06 -0.39 0.00 -0.53 0.00 0.00 54.58 53.71 3mv8 n ASN 230 Cb 0.00 0.74 -0.02 0.00 -2.08 0.00 0.00 39.78 38.42 3mv8 n ASN 230 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3mv8 s ASP 231 N -4.56 6.60 0.48 0.53 1.01 -1.26 -5.00 116.67 114.47 3mv8 s ASP 231 Ca 0.01 2.50 -0.20 0.00 0.71 0.00 0.00 52.55 55.57 3mv8 s ASP 231 Cb 0.12 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 3mv8 s ASP 231 CO 0.80 -0.63 1.04 -1.61 0.21 0.00 0.00 175.17 174.97 3mv8 s GLU 232 N -2.07 3.83 -0.19 8.23 0.41 -1.26 -4.92 118.70 122.74 3mv8 s GLU 232 Ca 0.54 1.36 -0.04 0.00 -0.41 0.00 0.00 54.97 56.42 3mv8 s GLU 232 Cb -0.35 -2.12 0.08 0.00 -1.78 0.00 0.00 34.13 29.97 3mv8 s GLU 232 CO 0.45 -0.40 0.19 -0.46 -0.49 0.00 0.00 175.26 174.54 3mv8 s TRP 233 N -1.97 -0.16 -1.07 1.61 -0.11 -1.26 -5.01 118.94 110.96 3mv8 s TRP 233 Ca 0.67 0.13 0.20 0.00 1.22 0.00 0.00 56.10 58.32 3mv8 s TRP 233 Cb -0.16 -0.43 -0.19 0.00 -1.50 0.00 0.00 33.47 31.19 3mv8 s TRP 233 CO 0.20 -0.56 0.88 0.25 -4.62 0.00 0.00 176.95 173.10 3mv8 n THR 234 N 5.31 0.00 -1.11 5.86 -2.24 -1.26 -5.00 114.28 115.85 3mv8 n THR 234 Ca -0.06 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3mv8 n THR 234 Cb 0.49 1.03 0.18 0.00 -2.10 0.00 0.00 70.33 69.94 3mv8 n THR 234 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mv8 s GLN 235 N -2.85 0.26 0.01 -0.78 -1.52 -1.26 -4.99 119.66 108.53 3mv8 s GLN 235 Ca 0.09 0.53 0.23 0.00 -1.95 0.00 0.00 55.36 54.26 3mv8 s GLN 235 Cb 0.16 -1.72 0.06 0.00 -0.22 0.00 0.00 33.01 31.29 3mv8 s GLN 235 CO 0.80 -2.85 1.08 -0.25 -0.25 0.00 0.00 175.29 173.82 3mv8 n ASP 236 N -4.26 0.74 -3.62 5.90 8.00 -1.26 -4.90 116.55 117.15 3mv8 n ASP 236 Ca 0.05 -0.58 -0.18 0.00 0.71 0.00 0.00 54.79 54.79 3mv8 n ASP 236 Cb 0.57 0.74 0.10 0.00 -0.02 0.00 0.00 41.12 42.51 3mv8 n ASP 236 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3mv8 n ARG 237 N -1.60 -0.24 -2.53 -1.24 1.85 -1.26 -5.06 116.66 106.58 3mv8 n ARG 237 Ca 0.04 -1.73 -0.39 0.00 -1.00 0.00 0.00 57.85 54.77 3mv8 n ARG 237 Cb 0.36 -0.63 -0.04 0.00 -1.05 0.00 0.00 32.46 31.09 3mv8 n ARG 237 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3mv8 s ALA 238 N -3.37 3.30 0.09 2.89 0.00 -1.26 -4.97 121.76 118.44 3mv8 s ALA 238 Ca 0.48 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 3mv8 s ALA 238 Cb -0.02 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3mv8 s ALA 238 CO 0.33 -0.13 1.90 0.21 0.00 0.00 0.00 175.76 178.07 3mv8 s LYS 239 N -1.73 4.14 -1.17 0.00 2.20 -1.26 -4.85 119.74 117.07 3mv8 s LYS 239 Ca 0.48 2.62 -0.18 0.00 -0.36 0.00 0.00 55.97 58.54 3mv8 s LYS 239 Cb -0.28 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 3mv8 s LYS 239 CO 0.36 -0.90 2.08 -0.35 -0.36 0.00 0.00 175.35 176.18 3mv8 n PRO 240 N 6.53 2.29 -1.66 4.03 -0.05 -1.26 -4.92 135.00 139.95 3mv8 n PRO 240 Ca 0.19 -2.32 -0.30 0.00 -0.05 0.00 0.00 63.50 61.02 3mv8 n PRO 240 Cb 0.39 -3.16 0.07 0.00 -0.05 0.00 0.00 33.50 30.76 3mv8 n PRO 240 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3mv8 s VAL 241 N 4.19 3.25 0.07 0.52 -7.23 -1.26 -0.86 120.40 119.07 3mv8 s VAL 241 Ca 0.52 0.41 -0.34 0.00 -1.81 0.00 0.00 61.98 60.76 3mv8 s VAL 241 Cb 0.13 -3.23 -0.13 0.00 0.56 0.00 0.00 36.38 33.71 3mv8 s VAL 241 CO 0.01 -0.53 1.67 0.41 -0.31 0.00 0.00 175.10 176.34 3mv8 n THR 242 N -3.28 0.19 -3.48 5.32 -1.04 -1.03 -4.36 114.28 106.60 3mv8 n THR 242 Ca 0.07 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 3mv8 n THR 242 Cb 0.56 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 3mv8 n THR 242 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mv8 s GLN 243 N 1.94 1.02 -0.14 -2.82 -2.07 0.06 -4.91 119.66 112.74 3mv8 s GLN 243 Ca 0.84 -0.23 -0.07 0.00 -1.82 0.00 0.00 55.36 54.08 3mv8 s GLN 243 Cb -0.70 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 3mv8 s GLN 243 CO 0.43 -0.41 0.10 0.96 -1.32 0.00 0.00 175.29 175.05 3mv8 s ILE 244 N -2.84 5.15 -0.07 3.63 -5.25 -1.26 0.61 121.20 121.18 3mv8 s ILE 244 Ca 0.00 0.08 0.04 0.00 -0.99 0.00 0.00 60.65 59.79 3mv8 s ILE 244 Cb -0.01 -3.27 -0.02 0.00 2.95 0.00 0.00 42.46 42.11 3mv8 s ILE 244 CO -0.06 0.55 -0.20 -0.69 -1.79 0.00 0.00 174.94 172.75 3mv8 s VAL 245 N -0.44 2.53 0.12 8.37 1.01 0.85 -4.97 120.40 127.87 3mv8 s VAL 245 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3mv8 s VAL 245 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3mv8 s VAL 245 CO 0.02 0.57 -0.15 -0.44 0.00 0.00 0.00 175.10 175.09 3mv8 s SER 246 N -0.22 2.11 0.05 3.32 0.01 -1.26 -0.39 113.70 117.32 3mv8 s SER 246 Ca -0.01 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.48 3mv8 s SER 246 Cb -0.13 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3mv8 s SER 246 CO 0.03 -0.10 -0.05 0.00 0.41 0.00 0.00 173.24 173.53 3mv8 s ALA 247 N -1.94 0.53 0.09 1.44 0.00 -0.79 -4.81 121.76 116.29 3mv8 s ALA 247 Ca 0.08 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3mv8 s ALA 247 Cb -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3mv8 s ALA 247 CO 0.04 -0.18 0.00 -1.83 0.00 0.00 0.00 175.76 173.78 3mv8 s GLU 248 N -2.58 0.79 -0.04 0.00 -1.05 -1.26 -0.56 118.70 113.99 3mv8 s GLU 248 Ca -0.03 -1.34 -0.05 0.00 -0.15 0.00 0.00 54.97 53.41 3mv8 s GLU 248 Cb -0.03 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.83 3mv8 s GLU 248 CO -0.03 -0.16 0.13 0.00 0.95 0.00 0.00 175.26 176.14 3mv8 s ALA 249 N -3.93 -0.31 0.14 -0.84 0.00 0.12 -4.85 121.76 112.09 3mv8 s ALA 249 Ca 0.15 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3mv8 s ALA 249 Cb 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3mv8 s ALA 249 CO -0.04 -0.08 0.26 -1.58 0.00 0.00 0.00 175.76 174.32 3mv8 s TRP 250 N -0.16 3.46 0.74 0.00 0.52 -1.26 -0.41 118.94 121.82 3mv8 s TRP 250 Ca -0.02 0.12 -0.14 0.00 0.02 0.00 0.00 56.10 56.08 3mv8 s TRP 250 Cb -0.02 -1.67 0.04 0.00 -1.15 0.00 0.00 33.47 30.68 3mv8 s TRP 250 CO 0.00 0.53 1.16 0.20 0.02 0.00 0.00 176.95 178.85 3mv8 s GLY 251 N -3.11 2.12 -0.20 0.98 0.00 -0.25 -4.97 107.32 101.90 3mv8 s GLY 251 Ca 0.34 0.67 -0.03 0.00 0.00 0.00 0.00 44.72 45.70 3mv8 s GLY 251 CO 0.28 1.05 0.04 0.50 0.00 0.00 0.00 173.10 174.97 3mv8 s ARG 252 N -4.18 0.63 0.00 2.90 0.52 -0.66 -4.08 118.95 114.09 3mv8 s ARG 252 Ca 0.69 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3mv8 s ARG 252 Cb -0.24 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.13 3mv8 s ARG 252 CO 0.47 -0.65 0.55 0.00 0.02 0.00 0.00 175.30 175.69 3mv8 n ALA 253 N 5.06 -0.18 0.00 2.13 0.00 -1.24 -4.17 120.51 122.10 3mv8 n ALA 253 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3mv8 n ALA 253 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3mv8 n ALA 253 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10