#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va4 s THR 2 N 0.00 0.16 0.19 0.44 -4.23 -1.26 -0.82 115.64 110.12 1va4 s THR 2 Ca 0.00 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1va4 s THR 2 Cb 0.00 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.70 1va4 s THR 2 CO 0.00 -0.71 0.06 0.72 -0.54 0.00 0.00 174.62 174.14 1va4 s PHE 3 N -3.10 1.24 -0.23 3.99 -0.12 -0.96 -4.98 117.98 113.83 1va4 s PHE 3 Ca -0.01 -1.15 -0.05 0.00 -0.05 0.00 0.00 56.93 55.67 1va4 s PHE 3 Cb 0.02 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 1va4 s PHE 3 CO -0.07 -0.36 0.00 0.08 -0.05 0.00 0.00 175.22 174.83 1va4 s VAL 4 N -3.82 3.81 0.92 -2.49 1.01 -1.26 -1.03 120.40 117.55 1va4 s VAL 4 Ca 0.30 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1va4 s VAL 4 Cb 0.07 -2.75 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1va4 s VAL 4 CO 0.08 0.40 1.12 0.00 0.00 0.00 0.00 175.10 176.69 1va4 s ALA 5 N 1.42 1.58 0.25 5.51 0.00 0.11 -4.91 121.76 125.73 1va4 s ALA 5 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1va4 s ALA 5 Cb -0.15 -3.07 0.45 0.00 0.00 0.00 0.00 23.12 20.36 1va4 s ALA 5 CO 0.00 -2.39 1.63 -0.22 0.00 0.00 0.00 175.76 174.78 1va4 h LYS 6 N -1.57 0.08 -0.15 0.00 3.64 -1.96 -0.74 116.57 115.86 1va4 h LYS 6 Ca -0.51 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1va4 h LYS 6 Cb 1.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1va4 h LYS 6 CO 0.60 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.44 1va4 n ASP 7 N -5.38 0.51 0.00 4.20 5.68 -1.26 -4.85 116.55 115.45 1va4 n ASP 7 Ca 0.14 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1va4 n ASP 7 Cb 0.49 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1va4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 8 N 0.58 0.96 3.69 6.12 0.00 -0.28 -5.06 105.19 111.19 1va4 n GLY 8 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1va4 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va4 s THR 9 N -2.51 3.62 -0.14 2.61 2.01 -1.25 -4.67 115.64 115.30 1va4 s THR 9 Ca 0.00 1.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 1va4 s THR 9 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1va4 s THR 9 CO 0.00 0.00 0.70 -1.58 -0.69 0.00 0.00 174.62 173.05 1va4 s GLN 10 N 2.34 4.31 -0.19 4.92 0.74 -1.26 0.09 119.66 130.62 1va4 s GLN 10 Ca 0.65 0.81 -0.03 0.00 0.05 0.00 0.00 55.36 56.83 1va4 s GLN 10 Cb -0.33 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 1va4 s GLN 10 CO 0.27 -0.15 -0.05 0.42 -0.55 0.00 0.00 175.29 175.24 1va4 s ILE 11 N 1.56 3.55 0.27 -2.34 -1.09 -0.19 -0.94 121.20 122.01 1va4 s ILE 11 Ca 0.34 -0.45 -0.27 0.00 -2.23 0.00 0.00 60.65 58.03 1va4 s ILE 11 Cb -0.17 -2.58 -0.09 0.00 -1.58 0.00 0.00 42.46 38.04 1va4 s ILE 11 CO 0.13 0.45 0.91 -0.47 -1.23 0.00 0.00 174.94 174.74 1va4 s TYR 12 N 0.97 3.85 0.21 3.97 5.04 -1.26 -2.26 117.35 127.85 1va4 s TYR 12 Ca 0.00 1.81 -0.12 0.00 -2.44 0.00 0.00 57.07 56.32 1va4 s TYR 12 Cb -0.15 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1va4 s TYR 12 CO 0.01 0.36 0.41 -0.59 -1.34 0.00 0.00 175.55 174.40 1va4 s PHE 13 N -1.37 0.29 0.00 4.97 -0.71 -0.00 -1.03 117.98 120.13 1va4 s PHE 13 Ca 0.44 -0.65 0.08 0.00 -1.04 0.00 0.00 56.93 55.77 1va4 s PHE 13 Cb -0.22 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1va4 s PHE 13 CO 0.28 -0.87 -0.24 0.15 -1.34 0.00 0.00 175.22 173.19 1va4 s LYS 14 N -3.97 1.87 -0.24 1.99 1.02 -0.01 -0.95 119.74 119.45 1va4 s LYS 14 Ca 0.18 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 1va4 s LYS 14 Cb 0.01 -1.88 0.08 0.00 -0.52 0.00 0.00 37.83 35.52 1va4 s LYS 14 CO 0.03 0.51 0.09 0.34 -0.92 0.00 0.00 175.35 175.40 1va4 s ASP 15 N -0.79 3.18 -0.05 2.83 2.15 -1.26 -1.67 116.67 121.06 1va4 s ASP 15 Ca 0.10 -1.07 0.05 0.00 0.43 0.00 0.00 52.55 52.05 1va4 s ASP 15 Cb -0.09 -0.47 -0.02 0.00 -0.30 0.00 0.00 42.92 42.04 1va4 s ASP 15 CO 0.00 -0.38 -0.20 0.26 -0.17 0.00 0.00 175.17 174.68 1va4 s TRP 16 N 1.97 2.56 0.00 -5.34 0.51 0.10 -4.98 118.94 113.76 1va4 s TRP 16 Ca 0.05 -0.43 0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1va4 s TRP 16 Cb -0.16 -1.62 0.00 0.00 -0.81 0.00 0.00 33.47 30.88 1va4 s TRP 16 CO -0.21 -0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.62 1va4 n GLY 17 N 2.65 -1.45 3.26 0.98 0.00 -1.26 -0.77 105.19 108.60 1va4 n GLY 17 Ca -0.17 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1va4 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va4 s SER 18 N -4.00 0.12 0.00 1.61 1.04 -1.24 -4.73 113.70 106.50 1va4 s SER 18 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1va4 s SER 18 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1va4 s SER 18 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1va4 n GLY 19 N -0.14 0.26 3.74 7.32 0.00 -1.26 -3.15 105.19 111.96 1va4 n GLY 19 Ca -0.10 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 1va4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 s LYS 20 N 0.00 4.20 0.21 1.61 1.02 -1.26 -4.15 119.74 121.37 1va4 s LYS 20 Ca 0.00 2.42 -0.27 0.00 0.02 0.00 0.00 55.97 58.14 1va4 s LYS 20 Cb 0.00 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1va4 s LYS 20 CO 0.00 -0.56 0.85 -1.25 -0.92 0.00 0.00 175.35 173.47 1va4 s PRO 21 N 0.17 4.68 -0.13 -1.68 0.04 -1.26 -1.46 135.00 135.35 1va4 s PRO 21 Ca 0.65 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1va4 s PRO 21 Cb -0.45 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 30.90 1va4 s PRO 21 CO 0.40 0.52 -0.10 0.08 0.04 0.00 0.00 177.00 177.94 1va4 s VAL 22 N -1.21 1.24 -0.17 -0.36 1.01 0.22 -1.02 120.40 120.10 1va4 s VAL 22 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1va4 s VAL 22 Cb -0.24 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1va4 s VAL 22 CO 0.28 0.40 -0.16 -0.22 0.00 0.00 0.00 175.10 175.41 1va4 s LEU 23 N 1.61 2.36 -0.13 3.92 2.96 0.11 -0.88 118.68 128.64 1va4 s LEU 23 Ca 0.05 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1va4 s LEU 23 Cb -0.13 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1va4 s LEU 23 CO -0.09 0.03 0.04 -0.36 -1.32 0.00 0.00 176.35 174.64 1va4 s PHE 24 N 1.13 3.24 -0.21 5.38 0.40 -0.07 -0.96 117.98 126.89 1va4 s PHE 24 Ca 0.01 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1va4 s PHE 24 Cb -0.14 -1.91 0.04 0.00 0.51 0.00 0.00 43.02 41.51 1va4 s PHE 24 CO -0.06 0.37 -0.14 0.45 0.70 0.00 0.00 175.22 176.53 1va4 s SER 25 N -0.41 3.56 0.88 1.36 0.15 0.27 -3.80 113.70 115.71 1va4 s SER 25 Ca 0.09 -0.93 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 1va4 s SER 25 Cb -0.12 -1.42 0.12 0.00 -1.71 0.00 0.00 66.02 62.89 1va4 s SER 25 CO 0.02 -0.10 1.14 -1.38 1.20 0.00 0.00 173.24 174.12 1va4 s HIS 26 N 1.27 2.64 0.47 3.44 -3.43 -1.26 -1.51 115.29 116.91 1va4 s HIS 26 Ca -0.01 0.86 -0.05 0.00 -0.80 0.00 0.00 55.06 55.06 1va4 s HIS 26 Cb -0.16 -3.39 0.10 0.00 -1.43 0.00 0.00 32.58 27.70 1va4 s HIS 26 CO -0.09 -2.18 0.64 0.41 -2.00 0.00 0.00 174.74 171.51 1va4 n GLY 27 N -2.45 -0.33 3.75 -1.38 0.00 -1.21 -3.14 105.19 100.42 1va4 n GLY 27 Ca 0.07 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1va4 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1va4 s TRP 28 N -2.09 3.16 0.00 1.61 -0.00 -1.26 -2.90 118.94 117.46 1va4 s TRP 28 Ca 0.39 1.28 0.00 0.00 -0.00 0.00 0.00 56.10 57.76 1va4 s TRP 28 Cb -0.02 -3.65 0.00 0.00 -0.00 0.00 0.00 33.47 29.80 1va4 s TRP 28 CO 0.26 -1.95 0.00 1.28 -0.00 0.00 0.00 176.95 176.54 1va4 n LEU 29 N 1.86 0.00 0.00 5.86 4.77 -1.26 -4.98 117.00 123.25 1va4 n LEU 29 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1va4 n LEU 29 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1va4 n LEU 29 CO 0.59 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.83 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.14 -3.09 117.00 119.77 1va4 n LEU 30 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1va4 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1va4 n LEU 30 CO 0.00 -0.13 0.01 -0.90 -1.33 0.00 0.00 177.39 175.04 1va4 n ASP 31 N -0.76 -0.04 0.15 -1.43 5.68 -1.26 -4.38 116.55 114.50 1va4 n ASP 31 Ca 0.00 -1.03 0.19 0.00 -0.50 0.00 0.00 54.79 53.45 1va4 n ASP 31 Cb 0.00 0.06 0.78 0.00 -1.14 0.00 0.00 41.12 40.82 1va4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1va4 h ALA 32 N 1.92 1.96 0.00 2.12 0.00 -1.90 -1.81 119.26 121.55 1va4 h ALA 32 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 32 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1va4 h ALA 32 CO 0.01 -0.50 0.00 -0.44 0.00 0.00 0.00 179.25 178.31 1va4 h ASP 33 N 0.00 0.00 0.17 0.00 3.32 -1.95 -2.32 116.42 115.64 1va4 h ASP 33 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1va4 h ASP 33 Cb 0.84 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1va4 h ASP 33 CO -0.00 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.50 1va4 h MET 34 N 0.00 0.00 -0.07 3.56 -0.00 -1.74 -2.14 114.93 114.55 1va4 h MET 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 34 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1va4 h MET 34 CO 0.00 0.02 0.00 0.91 -0.00 0.00 0.00 176.91 177.84 1va4 n TRP 35 N -3.38 0.06 -0.31 -0.10 7.02 -0.87 -4.67 117.44 115.19 1va4 n TRP 35 Ca -0.02 -0.03 0.09 0.00 -1.02 0.00 0.00 57.50 56.52 1va4 n TRP 35 Cb 0.13 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.28 1va4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1va4 h GLU 36 N 3.75 0.61 -0.37 -0.99 4.11 -1.51 0.44 114.58 120.62 1va4 h GLU 36 Ca 0.00 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.24 1va4 h GLU 36 Cb 0.80 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1va4 h GLU 36 CO 0.00 0.41 -0.35 1.88 0.07 0.00 0.00 179.01 181.02 1va4 h TYR 37 N 0.63 1.06 -0.47 2.06 0.05 -1.84 -1.13 116.97 117.33 1va4 h TYR 37 Ca 0.51 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 1va4 h TYR 37 Cb 0.77 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1va4 h TYR 37 CO -0.08 1.13 0.02 1.96 -1.05 0.00 0.00 178.16 180.14 1va4 h GLN 38 N 0.70 0.82 -0.21 4.88 7.50 -1.68 -0.59 115.11 126.52 1va4 h GLN 38 Ca 0.06 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 58.96 1va4 h GLN 38 Cb 0.94 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1va4 h GLN 38 CO 0.09 0.86 0.14 0.52 -1.50 0.00 0.00 178.83 178.93 1va4 h MET 39 N 0.68 0.28 -0.71 1.46 2.86 -0.91 -0.51 114.93 118.09 1va4 h MET 39 Ca 0.14 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1va4 h MET 39 Cb 0.47 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1va4 h MET 39 CO 0.02 0.21 0.29 1.49 1.06 0.00 0.00 176.91 179.98 1va4 h GLU 40 N 0.28 1.05 -0.37 1.72 4.22 -1.18 0.74 114.58 121.03 1va4 h GLU 40 Ca 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1va4 h GLU 40 Cb -0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1va4 h GLU 40 CO -0.02 0.86 0.24 -0.92 -2.18 0.00 0.00 179.01 176.99 1va4 h TYR 41 N 1.01 0.48 0.20 0.92 3.20 -0.94 -1.92 116.97 119.91 1va4 h TYR 41 Ca 0.24 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.80 1va4 h TYR 41 Cb 0.19 -0.16 0.03 0.00 1.54 0.00 0.00 36.73 38.33 1va4 h TYR 41 CO 0.01 0.32 -1.38 -0.07 -1.64 0.00 0.00 178.16 175.41 1va4 h LEU 42 N 0.49 0.76 -1.38 2.82 3.38 -0.99 -3.21 115.31 117.17 1va4 h LEU 42 Ca 0.13 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1va4 h LEU 42 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1va4 h LEU 42 CO -0.03 1.61 -0.11 0.28 0.09 0.00 0.00 178.44 180.28 1va4 h SER 43 N 0.16 0.00 -0.03 -0.43 0.02 -0.87 -1.46 113.55 110.94 1va4 h SER 43 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1va4 h SER 43 Cb 2.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.61 1va4 h SER 43 CO 0.25 0.11 0.00 -1.54 -1.14 0.00 0.00 176.83 174.52 1va4 n SER 44 N -3.28 0.97 -0.40 3.07 3.41 -0.72 -3.61 113.62 113.05 1va4 n SER 44 Ca 0.00 -1.36 0.07 0.00 -0.26 0.00 0.00 58.87 57.32 1va4 n SER 44 Cb 0.35 -0.01 0.17 0.00 -0.26 0.00 0.00 64.21 64.46 1va4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1va4 n ARG 45 N -0.23 1.40 -0.30 4.33 1.74 -0.60 -4.99 116.66 118.01 1va4 n ARG 45 Ca 0.20 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1va4 n ARG 45 Cb 0.26 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1va4 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1va4 n GLY 46 N -1.19 0.84 3.65 -0.13 0.00 -1.12 -5.02 105.19 102.21 1va4 n GLY 46 Ca 0.17 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1va4 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1va4 s TYR 47 N -2.00 2.72 -0.14 1.61 2.02 -0.88 -4.29 117.35 116.39 1va4 s TYR 47 Ca 0.00 -0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1va4 s TYR 47 Cb 0.00 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1va4 s TYR 47 CO 0.00 0.60 0.07 0.50 -1.57 0.00 0.00 175.55 175.15 1va4 s ARG 48 N -3.53 3.54 -0.03 -0.62 3.52 -0.54 -3.68 118.95 117.63 1va4 s ARG 48 Ca 0.30 -0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1va4 s ARG 48 Cb -0.07 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1va4 s ARG 48 CO 0.19 0.55 -0.17 0.95 -0.81 0.00 0.00 175.30 176.01 1va4 s THR 49 N -0.41 1.37 -0.04 4.11 -4.23 0.05 -0.61 115.64 115.88 1va4 s THR 49 Ca 0.10 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1va4 s THR 49 Cb -0.12 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.58 1va4 s THR 49 CO 0.02 0.39 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.79 1va4 s ILE 50 N -0.20 0.69 -0.04 2.99 1.09 -0.05 -0.72 121.20 124.96 1va4 s ILE 50 Ca 0.02 -0.25 -0.02 0.00 -1.10 0.00 0.00 60.65 59.30 1va4 s ILE 50 Cb -0.09 -0.66 0.02 0.00 -1.06 0.00 0.00 42.46 40.67 1va4 s ILE 50 CO 0.01 0.24 0.08 0.00 -0.10 0.00 0.00 174.94 175.17 1va4 s ALA 51 N 0.60 -0.15 0.25 9.38 0.00 -0.67 -0.89 121.76 130.28 1va4 s ALA 51 Ca -0.09 0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.31 1va4 s ALA 51 Cb -0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1va4 s ALA 51 CO 0.01 -0.08 -0.03 -0.59 0.00 0.00 0.00 175.76 175.07 1va4 s PHE 52 N 0.52 2.67 -0.26 0.00 -0.71 -1.25 -0.83 117.98 118.12 1va4 s PHE 52 Ca -0.04 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 55.44 1va4 s PHE 52 Cb -0.06 -1.20 -0.02 0.00 -1.21 0.00 0.00 43.02 40.53 1va4 s PHE 52 CO -0.02 0.61 0.53 -0.51 -1.34 0.00 0.00 175.22 174.49 1va4 s ASP 53 N -3.53 6.45 0.50 1.98 1.01 -0.20 -3.76 116.67 119.12 1va4 s ASP 53 Ca 0.30 0.53 -0.22 0.00 0.71 0.00 0.00 52.55 53.87 1va4 s ASP 53 Cb -0.07 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 1va4 s ASP 53 CO 0.19 -0.31 1.00 -1.14 0.21 0.00 0.00 175.17 175.12 1va4 n ARG 54 N 5.58 1.21 -1.58 8.23 0.63 -1.26 -4.39 116.66 125.08 1va4 n ARG 54 Ca -0.04 0.45 -0.49 0.00 -0.92 0.00 0.00 57.85 56.85 1va4 n ARG 54 Cb 0.50 -2.11 -0.04 0.00 0.45 0.00 0.00 32.46 31.25 1va4 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1va4 n ARG 55 N -0.30 1.18 -0.48 -0.14 1.85 -1.26 -1.13 116.66 116.37 1va4 n ARG 55 Ca 0.11 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 1va4 n ARG 55 Cb 0.43 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1va4 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1va4 n GLY 56 N 1.99 1.13 3.31 2.89 0.00 0.24 -4.97 105.19 109.78 1va4 n GLY 56 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1va4 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1va4 s PHE 57 N -3.14 1.65 0.00 1.61 0.40 -0.29 -0.55 117.98 117.67 1va4 s PHE 57 Ca 0.00 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1va4 s PHE 57 Cb 0.00 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1va4 s PHE 57 CO 0.00 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.61 1va4 n GLY 58 N 0.14 3.44 0.74 4.36 0.00 -1.26 -1.78 105.19 110.82 1va4 n GLY 58 Ca -0.12 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1va4 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va4 n ARG 59 N 14.00 1.98 -1.73 1.61 1.74 -1.26 -4.61 116.66 128.38 1va4 n ARG 59 Ca 0.00 -1.47 -0.31 0.00 -0.77 0.00 0.00 57.85 55.31 1va4 n ARG 59 Cb 0.00 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1va4 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1va4 s SER 60 N -1.66 5.48 1.01 0.55 0.01 -0.74 -4.57 113.70 113.79 1va4 s SER 60 Ca 0.34 1.38 -0.11 0.00 1.31 0.00 0.00 55.95 58.87 1va4 s SER 60 Cb 0.20 -2.26 0.20 0.00 0.21 0.00 0.00 66.02 64.36 1va4 s SER 60 CO 0.29 -1.35 1.09 -1.81 0.41 0.00 0.00 173.24 171.87 1va4 s ASP 61 N -4.07 2.24 -0.59 2.44 1.01 -0.12 -4.54 116.67 113.05 1va4 s ASP 61 Ca 0.58 1.79 0.06 0.00 0.71 0.00 0.00 52.55 55.69 1va4 s ASP 61 Cb -0.12 -2.39 0.25 0.00 1.01 0.00 0.00 42.92 41.66 1va4 s ASP 61 CO 0.54 -3.46 0.69 0.00 0.21 0.00 0.00 175.17 173.15 1va4 n GLN 62 N -4.44 2.12 -2.03 8.23 6.02 -1.26 -0.59 117.38 125.42 1va4 n GLN 62 Ca 0.07 -4.36 -0.39 0.00 -0.01 0.00 0.00 57.00 52.31 1va4 n GLN 62 Cb 0.53 -2.04 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1va4 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1va4 s PRO 63 N -2.16 3.73 0.24 -1.09 0.04 -1.26 -4.93 135.00 129.57 1va4 s PRO 63 Ca 0.38 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1va4 s PRO 63 Cb 0.15 -2.57 0.29 0.00 0.04 0.00 0.00 34.50 32.41 1va4 s PRO 63 CO -0.04 -0.67 1.64 2.35 0.04 0.00 0.00 177.00 180.33 1va4 h TRP 64 N 2.26 0.61 -1.79 0.56 2.91 -2.01 -3.45 115.95 115.04 1va4 h TRP 64 Ca -0.50 -0.16 -0.47 0.00 1.13 0.00 0.00 58.89 58.89 1va4 h TRP 64 Cb 1.26 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 1va4 h TRP 64 CO 0.51 0.81 -0.40 0.95 -1.03 0.00 0.00 178.44 179.28 1va4 s THR 65 N -4.33 3.65 -0.09 2.65 -4.23 -1.26 -4.69 115.64 107.34 1va4 s THR 65 Ca -0.07 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1va4 s THR 65 Cb 0.13 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1va4 s THR 65 CO 0.81 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1va4 n GLY 66 N -1.50 0.46 2.71 3.99 0.00 -1.26 -4.95 105.19 104.64 1va4 n GLY 66 Ca -0.01 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1va4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1va4 n ASN 67 N 1.55 5.87 -3.80 1.61 3.02 -1.26 -4.49 115.26 117.76 1va4 n ASN 67 Ca -0.01 -3.04 -0.10 0.00 -0.03 0.00 0.00 54.58 51.41 1va4 n ASN 67 Cb 0.03 -1.48 -0.06 0.00 -0.61 0.00 0.00 39.78 37.66 1va4 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1va4 s ASP 68 N 1.18 -0.07 0.29 6.41 1.47 -1.26 -4.58 116.67 120.11 1va4 s ASP 68 Ca 0.46 -0.59 0.03 0.00 1.18 0.00 0.00 52.55 53.64 1va4 s ASP 68 Cb 0.13 0.45 0.46 0.00 -0.34 0.00 0.00 42.92 43.62 1va4 s ASP 68 CO -0.04 -0.87 1.76 1.88 0.68 0.00 0.00 175.17 178.58 1va4 h TYR 69 N 2.48 0.53 -0.30 2.11 0.05 -1.93 0.35 116.97 120.26 1va4 h TYR 69 Ca -0.32 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 1va4 h TYR 69 Cb 1.24 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 1va4 h TYR 69 CO 0.38 0.65 0.13 -0.44 -1.05 0.00 0.00 178.16 177.82 1va4 h ASP 70 N 0.43 0.41 -0.42 3.88 3.32 -1.96 -0.75 116.42 121.33 1va4 h ASP 70 Ca 0.07 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1va4 h ASP 70 Cb 0.60 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1va4 h ASP 70 CO 0.04 0.46 0.25 0.74 -1.72 0.00 0.00 179.24 179.01 1va4 h THR 71 N 0.34 1.14 -0.76 0.35 2.02 -1.71 -1.62 112.91 112.67 1va4 h THR 71 Ca 0.10 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 67.03 1va4 h THR 71 Cb 0.17 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1va4 h THR 71 CO -0.01 0.14 0.43 -0.26 0.37 0.00 0.00 175.52 176.19 1va4 h PHE 72 N 0.55 0.79 -0.67 3.16 0.04 -0.73 0.11 116.94 120.19 1va4 h PHE 72 Ca 0.15 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 1va4 h PHE 72 Cb 0.01 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1va4 h PHE 72 CO -0.03 0.36 0.27 0.00 -0.60 0.00 0.00 178.31 178.31 1va4 h ALA 73 N 1.40 0.87 -0.02 2.45 0.00 -1.00 -1.91 119.26 121.05 1va4 h ALA 73 Ca 0.35 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1va4 h ALA 73 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1va4 h ALA 73 CO -0.21 0.48 -0.49 -0.44 0.00 0.00 0.00 179.25 178.59 1va4 h ASP 74 N 0.94 0.06 -0.56 0.00 3.32 -0.67 -1.23 116.42 118.28 1va4 h ASP 74 Ca 0.22 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1va4 h ASP 74 Cb 0.20 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1va4 h ASP 74 CO -0.02 0.54 0.25 0.44 -1.72 0.00 0.00 179.24 178.72 1va4 h ASP 75 N 0.04 0.75 -0.39 6.45 3.32 -0.47 -0.95 116.42 125.18 1va4 h ASP 75 Ca -0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1va4 h ASP 75 Cb 0.88 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1va4 h ASP 75 CO 0.07 0.70 0.24 0.40 -1.72 0.00 0.00 179.24 178.92 1va4 h ILE 76 N 0.76 1.12 -0.66 0.35 2.04 -0.98 -1.66 117.51 118.49 1va4 h ILE 76 Ca 0.19 -0.28 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1va4 h ILE 76 Cb 0.16 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 1va4 h ILE 76 CO -0.02 0.12 0.24 0.00 0.00 0.00 0.00 178.15 178.49 1va4 h ALA 77 N 1.11 0.86 -0.31 1.87 0.00 -1.00 -0.72 119.26 121.06 1va4 h ALA 77 Ca 0.14 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1va4 h ALA 77 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1va4 h ALA 77 CO -0.03 -0.21 -0.28 1.96 0.00 0.00 0.00 179.25 180.69 1va4 h GLN 78 N 0.40 0.64 -0.48 0.00 4.20 -0.84 -0.13 115.11 118.91 1va4 h GLN 78 Ca 0.34 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1va4 h GLN 78 Cb 0.47 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1va4 h GLN 78 CO -0.35 0.86 0.14 1.25 -0.67 0.00 0.00 178.83 180.05 1va4 h LEU 79 N 0.55 0.71 -0.69 1.46 5.85 -0.49 0.52 115.31 123.23 1va4 h LEU 79 Ca 0.07 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1va4 h LEU 79 Cb 0.77 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1va4 h LEU 79 CO 0.06 0.74 -0.09 0.40 -0.34 0.00 0.00 178.44 179.21 1va4 h ILE 80 N 0.65 1.26 -0.13 4.05 2.04 -0.58 -2.20 117.51 122.60 1va4 h ILE 80 Ca 0.15 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1va4 h ILE 80 Cb 0.29 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1va4 h ILE 80 CO -0.00 0.42 0.00 -0.33 0.00 0.00 0.00 178.15 178.24 1va4 h GLU 81 N 0.83 0.23 -0.98 2.37 4.39 -0.94 0.16 114.58 120.63 1va4 h GLU 81 Ca 0.14 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 59.95 1va4 h GLU 81 Cb 0.62 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 1va4 h GLU 81 CO 0.04 0.46 0.58 1.25 -1.16 0.00 0.00 179.01 180.18 1va4 h HIS 82 N -0.03 1.03 -0.02 4.33 2.76 -0.74 -1.46 115.15 121.03 1va4 h HIS 82 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1va4 h HIS 82 Cb 0.35 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1va4 h HIS 82 CO 0.03 0.24 -0.28 1.28 -1.30 0.00 0.00 177.93 177.89 1va4 n LEU 83 N -4.78 1.86 -3.89 0.26 4.77 -0.84 -4.98 117.00 109.40 1va4 n LEU 83 Ca 0.22 -0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 55.31 1va4 n LEU 83 Cb 0.54 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1va4 n LEU 83 CO 0.21 0.33 -0.12 -0.67 -1.33 0.00 0.00 177.39 175.81 1va4 n ASP 84 N 0.06 -1.35 -4.77 -1.43 2.03 -0.12 -4.92 116.55 106.06 1va4 n ASP 84 Ca 0.12 -0.92 -0.38 0.00 0.52 0.00 0.00 54.79 54.12 1va4 n ASP 84 Cb 0.45 -3.44 -0.04 0.00 -0.72 0.00 0.00 41.12 37.37 1va4 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1va4 s LEU 85 N -6.94 4.33 0.10 -2.67 1.43 -0.27 -5.02 118.68 109.63 1va4 s LEU 85 Ca 0.14 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 1va4 s LEU 85 Cb -0.07 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1va4 s LEU 85 CO 0.86 -0.38 -0.10 -0.54 0.23 0.00 0.00 176.35 176.42 1va4 s LYS 86 N -2.00 0.86 -1.51 1.70 1.02 -1.26 -4.83 119.74 113.72 1va4 s LYS 86 Ca 0.52 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 1va4 s LYS 86 Cb -0.28 -0.52 0.05 0.00 -0.52 0.00 0.00 37.83 36.56 1va4 s LYS 86 CO 0.36 0.07 0.54 0.39 -0.92 0.00 0.00 175.35 175.79 1va4 n GLU 87 N 0.46 -3.31 -2.73 1.68 -0.58 -0.68 -4.54 120.64 110.95 1va4 n GLU 87 Ca -0.15 0.40 -0.41 0.00 -0.42 0.00 0.00 57.16 56.57 1va4 n GLU 87 Cb 0.58 -4.72 -0.05 0.00 -0.57 0.00 0.00 31.44 26.68 1va4 n GLU 87 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1va4 s VAL 88 N -3.74 4.38 -0.29 2.62 0.11 -0.15 -4.26 120.40 119.07 1va4 s VAL 88 Ca 0.25 2.07 -0.17 0.00 -2.93 0.00 0.00 61.98 61.21 1va4 s VAL 88 Cb -0.14 -4.32 -0.03 0.00 -1.53 0.00 0.00 36.38 30.37 1va4 s VAL 88 CO 0.90 0.37 0.45 -0.89 -3.33 0.00 0.00 175.10 172.60 1va4 s THR 89 N -0.32 5.10 -0.04 5.04 2.01 -0.19 -0.63 115.64 126.62 1va4 s THR 89 Ca 0.45 0.62 -0.18 0.00 0.31 0.00 0.00 61.69 62.89 1va4 s THR 89 Cb -0.24 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1va4 s THR 89 CO 0.30 0.05 0.49 -0.76 -0.69 0.00 0.00 174.62 174.01 1va4 s LEU 90 N 2.22 4.39 -0.13 4.42 1.43 -0.55 -0.71 118.68 129.76 1va4 s LEU 90 Ca 0.18 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1va4 s LEU 90 Cb -0.16 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1va4 s LEU 90 CO 0.10 0.15 -0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1va4 s VAL 91 N -0.26 0.85 -0.05 -1.59 1.01 -0.13 -0.14 120.40 120.09 1va4 s VAL 91 Ca 0.27 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1va4 s VAL 91 Cb -0.17 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1va4 s VAL 91 CO 0.14 0.21 -0.24 -0.83 0.00 0.00 0.00 175.10 174.38 1va4 s GLY 92 N 1.76 1.32 -0.13 4.51 0.00 -0.45 -0.57 107.32 113.78 1va4 s GLY 92 Ca 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 1va4 s GLY 92 CO -0.07 -0.69 -0.01 -0.12 0.00 0.00 0.00 173.10 172.21 1va4 s PHE 93 N -0.26 3.10 0.00 1.90 5.36 -0.57 -0.68 117.98 126.83 1va4 s PHE 93 Ca -0.00 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1va4 s PHE 93 Cb -0.13 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1va4 s PHE 93 CO 0.03 0.21 0.00 0.45 -1.46 0.00 0.00 175.22 174.45 1va4 n SER 94 N 2.89 0.00 0.30 6.13 2.88 0.21 0.01 113.62 126.05 1va4 n SER 94 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 1va4 n SER 94 Cb 0.53 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.92 1va4 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1va4 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.84 -1.15 114.93 110.48 1va4 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1va4 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1va4 h MET 95 CO 0.00 0.04 0.00 0.41 -0.00 0.00 0.00 176.91 177.36 1va4 n GLY 96 N -0.81 -1.32 0.29 -3.00 0.00 0.10 -1.78 105.19 98.68 1va4 n GLY 96 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1va4 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1va4 h GLY 97 N 3.15 0.50 1.28 -0.02 0.00 -1.26 -3.17 103.07 103.55 1va4 h GLY 97 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1va4 h GLY 97 CO 0.00 0.21 -0.42 -1.33 0.00 0.00 0.00 176.54 175.00 1va4 h GLY 98 N 0.59 0.86 1.87 4.60 0.00 -1.52 -2.52 103.07 106.95 1va4 h GLY 98 Ca 0.12 -0.89 -0.17 0.00 0.00 0.00 0.00 47.33 46.39 1va4 h GLY 98 CO -0.02 0.81 -0.86 1.29 0.00 0.00 0.00 176.54 177.76 1va4 h ASP 99 N 0.64 0.00 -0.39 0.19 3.04 -1.64 0.57 116.42 118.82 1va4 h ASP 99 Ca 0.05 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.73 1va4 h ASP 99 Cb 0.99 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.26 1va4 h ASP 99 CO 0.09 0.76 -0.14 -0.37 -2.04 0.00 0.00 179.24 177.54 1va4 h VAL 100 N 0.00 1.26 -0.24 4.15 -1.51 -1.60 0.35 116.25 118.66 1va4 h VAL 100 Ca -0.03 -1.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.16 1va4 h VAL 100 Cb 1.61 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1va4 h VAL 100 CO 0.09 0.43 0.03 0.00 -1.23 0.00 0.00 177.57 176.89 1va4 h ALA 101 N 1.08 0.32 0.00 5.19 0.00 -1.37 -2.54 119.26 121.94 1va4 h ALA 101 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1va4 h ALA 101 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1va4 h ALA 101 CO 0.05 0.01 -0.35 -0.09 0.00 0.00 0.00 179.25 178.87 1va4 h ARG 102 N 0.20 0.00 -0.26 0.00 9.65 -0.85 0.03 114.38 123.15 1va4 h ARG 102 Ca 0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1va4 h ARG 102 Cb 0.34 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1va4 h ARG 102 CO 0.01 0.35 0.11 -0.92 2.80 0.00 0.00 179.97 182.31 1va4 h TYR 103 N 0.00 0.40 -0.47 2.20 3.20 -0.76 -0.93 116.97 120.60 1va4 h TYR 103 Ca -0.00 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1va4 h TYR 103 Cb 0.62 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1va4 h TYR 103 CO 0.00 0.40 0.22 0.82 -1.64 0.00 0.00 178.16 177.96 1va4 h ILE 104 N 0.28 1.19 -0.59 1.81 2.04 -1.01 -1.04 117.51 120.20 1va4 h ILE 104 Ca 0.09 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1va4 h ILE 104 Cb 0.17 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1va4 h ILE 104 CO -0.01 0.21 0.39 0.00 0.00 0.00 0.00 178.15 178.74 1va4 h ALA 105 N 1.07 1.60 0.09 1.87 0.00 -0.83 0.67 119.26 123.72 1va4 h ALA 105 Ca 0.16 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 1va4 h ALA 105 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1va4 h ALA 105 CO -0.02 0.37 -1.73 0.00 0.00 0.00 0.00 179.25 177.87 1va4 h ARG 106 N 0.78 0.20 0.00 0.00 3.08 -1.05 -3.40 114.38 113.99 1va4 h ARG 106 Ca 0.22 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1va4 h ARG 106 Cb -0.07 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1va4 h ARG 106 CO -0.05 1.01 -0.44 0.72 -1.07 0.00 0.00 179.97 180.14 1va4 n HIS 107 N -3.37 0.00 -0.07 3.04 8.25 -0.41 -5.11 115.22 117.55 1va4 n HIS 107 Ca -0.22 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1va4 n HIS 107 Cb 1.05 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 32.15 1va4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1va4 n GLY 108 N 1.23 -1.40 0.90 -1.41 0.00 0.22 -4.70 105.19 100.03 1va4 n GLY 108 Ca 0.02 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.60 1va4 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1va4 n SER 109 N -1.38 3.79 0.01 1.61 3.41 -1.26 -4.56 113.62 115.24 1va4 n SER 109 Ca 0.00 -2.77 0.08 0.00 -0.26 0.00 0.00 58.87 55.91 1va4 n SER 109 Cb 0.03 -0.48 0.49 0.00 -0.26 0.00 0.00 64.21 63.99 1va4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1va4 h ALA 110 N 2.02 1.88 -0.14 7.33 0.00 -1.98 -1.47 119.26 126.90 1va4 h ALA 110 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 110 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1va4 h ALA 110 CO 0.19 0.06 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1va4 n ARG 111 N -4.48 1.85 -4.45 0.00 1.74 -1.26 -4.76 116.66 105.30 1va4 n ARG 111 Ca 0.05 -1.26 -0.34 0.00 -0.77 0.00 0.00 57.85 55.53 1va4 n ARG 111 Cb 0.18 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 1va4 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1va4 s VAL 112 N -1.84 3.34 -0.10 1.55 1.01 -0.56 -0.98 120.40 122.82 1va4 s VAL 112 Ca 0.34 -0.54 0.16 0.00 0.00 0.00 0.00 61.98 61.94 1va4 s VAL 112 Cb 0.19 -2.45 -0.16 0.00 0.00 0.00 0.00 36.38 33.97 1va4 s VAL 112 CO 0.29 0.49 0.80 0.00 0.00 0.00 0.00 175.10 176.68 1va4 h ALA 113 N 7.08 0.68 -1.66 5.51 0.00 -1.05 -3.45 119.26 126.37 1va4 h ALA 113 Ca -0.31 -0.99 0.25 0.00 0.00 0.00 0.00 54.91 53.86 1va4 h ALA 113 Cb 1.19 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 1va4 h ALA 113 CO 0.59 1.07 0.74 0.20 0.00 0.00 0.00 179.25 181.85 1va4 s GLY 114 N -4.86 -0.35 -0.01 0.00 0.00 -1.18 -4.29 107.32 96.62 1va4 s GLY 114 Ca -0.03 1.09 0.01 0.00 0.00 0.00 0.00 44.72 45.79 1va4 s GLY 114 CO 0.81 0.32 -0.04 -2.27 0.00 0.00 0.00 173.10 171.93 1va4 s LEU 115 N -2.55 1.76 -0.08 0.66 2.96 -0.43 -1.48 118.68 119.52 1va4 s LEU 115 Ca 0.11 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1va4 s LEU 115 Cb 0.01 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.44 1va4 s LEU 115 CO -0.04 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.18 1va4 s VAL 116 N 0.23 1.29 -0.29 1.68 1.01 0.80 -0.80 120.40 124.32 1va4 s VAL 116 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1va4 s VAL 116 Cb -0.06 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1va4 s VAL 116 CO -0.00 0.39 -0.02 -0.76 0.00 0.00 0.00 175.10 174.71 1va4 s LEU 117 N 0.84 3.84 -0.25 3.92 1.43 0.33 -1.34 118.68 127.45 1va4 s LEU 117 Ca -0.11 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 51.58 1va4 s LEU 117 Cb -0.15 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1va4 s LEU 117 CO 0.01 -0.25 0.07 -0.76 0.23 0.00 0.00 176.35 175.65 1va4 s LEU 118 N 1.21 3.45 -1.52 1.79 1.43 0.15 -1.22 118.68 123.97 1va4 s LEU 118 Ca -0.05 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 1va4 s LEU 118 Cb -0.20 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 44.25 1va4 s LEU 118 CO -0.02 -0.05 0.65 0.61 0.23 0.00 0.00 176.35 177.77 1va4 n GLY 119 N 4.91 -0.46 3.85 -3.19 0.00 -0.08 -0.61 105.19 109.61 1va4 n GLY 119 Ca -0.16 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1va4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 120 N -3.11 3.33 -0.80 4.61 0.00 -1.26 -3.05 121.76 121.48 1va4 s ALA 120 Ca 0.63 -0.00 0.19 0.00 0.00 0.00 0.00 51.96 52.77 1va4 s ALA 120 Cb -0.34 -2.75 0.79 0.00 0.00 0.00 0.00 23.12 20.82 1va4 s ALA 120 CO 0.77 0.29 1.59 1.33 0.00 0.00 0.00 175.76 179.74 1va4 n VAL 121 N -0.49 0.87 -1.96 0.00 0.24 -0.94 -4.31 118.33 111.75 1va4 n VAL 121 Ca 0.03 0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 62.17 1va4 n VAL 121 Cb 0.53 -1.02 0.03 0.00 -1.47 0.00 0.00 33.84 31.91 1va4 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1va4 s THR 122 N -3.12 2.46 -0.88 3.34 -4.23 -1.26 -2.44 115.64 109.51 1va4 s THR 122 Ca 0.06 0.34 0.25 0.00 -1.18 0.00 0.00 61.69 61.16 1va4 s THR 122 Cb 0.10 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.81 1va4 s THR 122 CO 0.34 -0.02 1.41 -0.81 -0.54 0.00 0.00 174.62 175.00 1va4 n PRO 123 N -0.99 0.09 -3.59 3.99 -0.04 -1.26 -3.63 135.00 129.57 1va4 n PRO 123 Ca 0.10 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1va4 n PRO 123 Cb 0.47 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1va4 n PRO 123 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1va4 s LEU 124 N -3.39 -0.59 -0.01 1.53 2.96 -1.02 0.11 118.68 118.27 1va4 s LEU 124 Ca 0.10 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1va4 s LEU 124 Cb 0.16 2.26 -0.02 0.00 0.50 0.00 0.00 46.19 49.09 1va4 s LEU 124 CO 0.70 -0.36 -0.14 0.33 -1.32 0.00 0.00 176.35 175.56 1va4 n PHE 125 N 1.66 0.00 -1.89 5.38 -0.00 -1.23 -4.68 117.46 116.71 1va4 n PHE 125 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.00 1va4 n PHE 125 Cb 0.56 -0.20 0.04 0.00 -0.00 0.00 0.00 39.48 39.88 1va4 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1va4 s GLY 126 N -4.34 1.64 0.55 7.13 0.00 -0.91 -1.23 107.32 110.15 1va4 s GLY 126 Ca -0.12 -0.28 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 1va4 s GLY 126 CO 0.17 0.06 1.28 1.20 0.00 0.00 0.00 173.10 175.81 1va4 s GLN 127 N -5.31 3.19 0.26 2.90 -0.21 -0.02 -4.48 119.66 115.99 1va4 s GLN 127 Ca 0.57 2.03 0.03 0.00 0.02 0.00 0.00 55.36 58.01 1va4 s GLN 127 Cb -0.11 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 1va4 s GLN 127 CO 0.52 -1.09 0.04 0.15 -2.12 0.00 0.00 175.29 172.79 1va4 s LYS 128 N -2.99 1.43 0.40 2.91 -0.14 -1.07 -4.89 119.74 115.39 1va4 s LYS 128 Ca 0.72 -1.76 0.10 0.00 -1.36 0.00 0.00 55.97 53.68 1va4 s LYS 128 Cb -0.35 -0.57 0.91 0.00 -1.68 0.00 0.00 37.83 36.14 1va4 s LYS 128 CO 0.41 -0.18 1.97 -1.35 -0.76 0.00 0.00 175.35 175.44 1va4 h PRO 129 N 2.36 0.54 -0.63 -1.68 0.11 -2.02 -0.09 132.00 130.60 1va4 h PRO 129 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1va4 h PRO 129 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1va4 h PRO 129 CO 0.65 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1va4 n ASP 130 N -4.48 3.55 -3.13 -2.05 5.75 -1.26 -4.43 116.55 110.49 1va4 n ASP 130 Ca 0.10 -2.11 -0.17 0.00 -0.01 0.00 0.00 54.79 52.60 1va4 n ASP 130 Cb 0.32 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 39.94 1va4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1va4 n TYR 131 N 1.20 -0.23 0.29 2.11 9.36 -0.05 -4.93 117.16 124.91 1va4 n TYR 131 Ca 0.21 -3.59 0.18 0.00 3.32 0.00 0.00 57.90 58.01 1va4 n TYR 131 Cb 0.60 -0.15 0.86 0.00 -0.63 0.00 0.00 39.34 40.01 1va4 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1va4 h PRO 132 N 3.03 0.00 0.00 2.98 0.13 -1.76 -1.76 132.00 134.62 1va4 h PRO 132 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1va4 h PRO 132 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1va4 h PRO 132 CO 0.45 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.22 1va4 n GLN 133 N -2.79 0.05 -1.17 0.86 0.00 -1.26 -4.83 117.38 108.23 1va4 n GLN 133 Ca -0.01 0.22 -0.30 0.00 0.00 0.00 0.00 57.00 56.91 1va4 n GLN 133 Cb 0.14 -1.58 0.21 0.00 0.00 0.00 0.00 30.24 29.02 1va4 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1va4 s GLY 134 N -3.12 1.58 -0.01 2.61 0.00 -0.69 -4.95 107.32 102.74 1va4 s GLY 134 Ca 0.08 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1va4 s GLY 134 CO 0.37 0.01 1.26 0.14 0.00 0.00 0.00 173.10 174.88 1va4 s VAL 135 N -3.05 4.04 0.32 1.40 1.01 -0.37 -4.34 120.40 119.41 1va4 s VAL 135 Ca 0.69 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.79 1va4 s VAL 135 Cb -0.12 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 1va4 s VAL 135 CO 0.56 0.02 1.22 -2.65 0.00 0.00 0.00 175.10 174.25 1va4 n PRO 136 N 4.99 1.91 0.17 2.72 -0.02 -1.26 -0.84 135.00 142.67 1va4 n PRO 136 Ca 0.11 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 1va4 n PRO 136 Cb 0.45 -2.20 0.52 0.00 -0.02 0.00 0.00 33.50 32.26 1va4 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1va4 h LEU 137 N 2.49 0.15 -2.13 2.45 3.38 -1.93 -1.92 115.31 117.80 1va4 h LEU 137 Ca -0.44 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.58 1va4 h LEU 137 Cb 1.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1va4 h LEU 137 CO 0.63 0.18 0.21 -0.78 0.09 0.00 0.00 178.44 178.76 1va4 h ASP 138 N 0.17 0.00 -0.45 -0.43 3.58 -1.99 0.47 116.42 117.78 1va4 h ASP 138 Ca 0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1va4 h ASP 138 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1va4 h ASP 138 CO -0.00 0.00 0.20 0.58 -2.88 0.00 0.00 179.24 177.14 1va4 h VAL 139 N 0.00 1.19 -0.02 2.25 2.07 -1.70 -1.30 116.25 118.74 1va4 h VAL 139 Ca 0.11 -0.57 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 1va4 h VAL 139 Cb 0.52 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1va4 h VAL 139 CO -0.00 0.21 -0.74 -0.26 0.02 0.00 0.00 177.57 176.80 1va4 h PHE 140 N 0.58 0.17 -0.72 1.57 0.04 -1.36 -2.38 116.94 114.84 1va4 h PHE 140 Ca 0.15 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 1va4 h PHE 140 Cb 0.15 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1va4 h PHE 140 CO -0.00 0.82 0.36 0.00 -0.60 0.00 0.00 178.31 178.88 1va4 h ALA 141 N 1.16 0.93 -0.56 2.45 0.00 -0.75 -1.79 119.26 120.70 1va4 h ALA 141 Ca -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1va4 h ALA 141 Cb 1.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1va4 h ALA 141 CO 0.11 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.86 1va4 h ARG 142 N 1.00 0.94 -0.43 0.00 3.08 -1.16 -0.59 114.38 117.22 1va4 h ARG 142 Ca 0.25 -0.26 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1va4 h ARG 142 Cb 0.10 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1va4 h ARG 142 CO -0.03 0.91 0.07 0.74 -1.07 0.00 0.00 179.97 180.59 1va4 h PHE 143 N 0.87 0.12 -0.55 3.04 -1.00 -1.00 -1.18 116.94 117.24 1va4 h PHE 143 Ca 0.17 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.87 1va4 h PHE 143 Cb 0.47 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 1va4 h PHE 143 CO 0.03 -0.01 -0.06 0.87 -1.61 0.00 0.00 178.31 177.53 1va4 h LYS 144 N 0.20 1.02 -0.32 1.51 1.57 -0.88 -0.04 116.57 119.63 1va4 h LYS 144 Ca 0.21 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1va4 h LYS 144 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1va4 h LYS 144 CO -0.29 1.04 0.19 1.15 -0.57 0.00 0.00 179.45 180.97 1va4 h THR 145 N 0.90 1.04 -0.57 -0.16 2.02 -0.73 -1.04 112.91 114.36 1va4 h THR 145 Ca 0.15 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 1va4 h THR 145 Cb 0.62 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1va4 h THR 145 CO 0.04 0.07 -0.08 -0.33 0.37 0.00 0.00 175.52 175.59 1va4 h GLU 146 N 0.39 1.05 -0.58 6.66 5.08 -0.94 -2.93 114.58 123.31 1va4 h GLU 146 Ca 0.13 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1va4 h GLU 146 Cb -0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1va4 h GLU 146 CO -0.06 1.07 0.27 -0.07 -1.00 0.00 0.00 179.01 179.22 1va4 h LEU 147 N 0.94 0.74 -0.05 1.33 3.38 -0.82 -0.75 115.31 120.08 1va4 h LEU 147 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1va4 h LEU 147 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1va4 h LEU 147 CO 0.04 0.64 -0.00 0.18 0.09 0.00 0.00 178.44 179.38 1va4 n LEU 148 N -4.36 0.09 -0.11 1.67 4.77 -0.41 -2.96 117.00 115.69 1va4 n LEU 148 Ca 0.05 0.04 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 1va4 n LEU 148 Cb 0.13 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1va4 n LEU 148 CO 0.38 0.02 -0.96 1.17 -1.33 0.00 0.00 177.39 176.66 1va4 n LYS 149 N -1.01 0.55 -3.05 3.23 4.81 -0.95 -4.97 118.16 116.78 1va4 n LYS 149 Ca 0.21 0.30 -0.05 0.00 -0.87 0.00 0.00 58.31 57.90 1va4 n LYS 149 Cb 0.16 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.68 1va4 n LYS 149 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1va4 s ASP 150 N -6.68 -0.95 0.36 3.14 -1.08 -0.33 -5.01 116.67 106.12 1va4 s ASP 150 Ca -0.32 -1.47 0.09 0.00 -0.52 0.00 0.00 52.55 50.33 1va4 s ASP 150 Cb 0.09 1.58 0.68 0.00 -1.46 0.00 0.00 42.92 43.81 1va4 s ASP 150 CO 0.45 -0.13 1.84 0.08 0.52 0.00 0.00 175.17 177.94 1va4 h ARG 151 N 6.03 0.23 0.26 4.34 0.11 -1.69 -2.36 114.38 121.30 1va4 h ARG 151 Ca 0.07 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1va4 h ARG 151 Cb 1.11 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1va4 h ARG 151 CO 0.09 0.45 -0.13 0.00 0.10 0.00 0.00 179.97 180.48 1va4 h ALA 152 N 1.56 -0.36 -0.22 0.08 0.00 -1.94 -0.13 119.26 118.25 1va4 h ALA 152 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1va4 h ALA 152 Cb 0.52 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1va4 h ALA 152 CO 0.04 -0.70 -0.38 0.37 0.00 0.00 0.00 179.25 178.57 1va4 h GLN 153 N -0.36 0.49 -0.20 0.00 5.75 -1.97 -2.07 115.11 116.75 1va4 h GLN 153 Ca -0.03 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 1va4 h GLN 153 Cb 0.29 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1va4 h GLN 153 CO 0.05 0.79 -0.12 0.35 -2.65 0.00 0.00 178.83 177.25 1va4 h PHE 154 N 0.41 -0.31 -0.52 3.99 3.57 -1.15 -0.05 116.94 122.88 1va4 h PHE 154 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1va4 h PHE 154 Cb 0.85 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1va4 h PHE 154 CO 0.03 -0.19 0.30 0.82 -2.23 0.00 0.00 178.31 177.04 1va4 h ILE 155 N -0.12 1.03 -0.65 1.41 2.04 -0.85 0.10 117.51 120.47 1va4 h ILE 155 Ca 0.12 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1va4 h ILE 155 Cb 0.29 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1va4 h ILE 155 CO -0.27 0.11 0.32 -1.28 0.00 0.00 0.00 178.15 177.03 1va4 h SER 156 N 0.59 0.84 0.60 1.72 0.87 -1.05 -2.18 113.55 114.94 1va4 h SER 156 Ca 0.21 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1va4 h SER 156 Cb 0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1va4 h SER 156 CO -0.11 0.72 -0.43 0.44 -0.53 0.00 0.00 176.83 176.92 1va4 h ASP 157 N 0.89 0.00 0.46 6.23 3.32 -0.59 -2.96 116.42 123.78 1va4 h ASP 157 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1va4 h ASP 157 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1va4 h ASP 157 CO -0.03 0.43 -0.14 0.15 -1.72 0.00 0.00 179.24 177.93 1va4 h PHE 158 N 0.00 0.00 -0.69 4.55 3.04 -0.16 -3.16 116.94 120.52 1va4 h PHE 158 Ca -0.00 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 1va4 h PHE 158 Cb 0.85 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.28 1va4 h PHE 158 CO 0.00 0.14 0.29 -0.91 -2.02 0.00 0.00 178.31 175.81 1va4 h ASN 159 N 0.00 0.31 0.85 0.41 2.35 -1.32 -1.45 115.58 116.73 1va4 h ASN 159 Ca -0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1va4 h ASN 159 Cb 0.40 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.83 1va4 h ASN 159 CO 0.02 0.16 -0.41 0.00 -1.65 0.00 0.00 177.43 175.55 1va4 h ALA 160 N 1.47 -1.14 0.00 -0.83 0.00 -1.77 -1.33 119.26 115.66 1va4 h ALA 160 Ca 0.36 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1va4 h ALA 160 Cb 0.46 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1va4 h ALA 160 CO -0.33 -1.10 -0.29 -1.00 0.00 0.00 0.00 179.25 176.53 1va4 h PRO 161 N -1.22 0.00 -0.02 0.00 0.13 -1.77 -0.46 132.00 128.66 1va4 h PRO 161 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1va4 h PRO 161 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1va4 h PRO 161 CO 0.19 0.29 0.01 0.35 -0.23 0.00 0.00 178.00 178.61 1va4 h PHE 162 N 0.00 0.03 -0.01 1.56 3.04 -1.13 -3.09 116.94 117.36 1va4 h PHE 162 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1va4 h PHE 162 Cb 0.65 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1va4 h PHE 162 CO 0.00 0.15 -0.22 0.66 -2.02 0.00 0.00 178.31 176.88 1va4 n TYR 163 N -5.01 0.00 -1.82 0.41 4.01 -0.51 -0.59 117.16 113.65 1va4 n TYR 163 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 1va4 n TYR 163 Cb 0.09 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 1va4 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1va4 n GLY 164 N 1.34 0.41 0.28 2.72 0.00 -0.32 -4.69 105.19 104.93 1va4 n GLY 164 Ca 0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1va4 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1va4 h ILE 165 N 0.00 1.22 0.00 -0.61 1.08 -1.39 0.22 117.51 118.04 1va4 h ILE 165 Ca -0.20 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1va4 h ILE 165 Cb 0.94 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1va4 h ILE 165 CO 0.26 0.31 0.00 -0.46 -0.69 0.00 0.00 178.15 177.57 1va4 n ASN 166 N -4.24 0.00 -1.56 1.72 6.94 -1.25 -2.68 115.26 114.19 1va4 n ASN 166 Ca 0.02 -0.10 -0.09 0.00 -0.02 0.00 0.00 54.58 54.39 1va4 n ASN 166 Cb 0.28 -0.21 0.09 0.00 -2.36 0.00 0.00 39.78 37.58 1va4 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1va4 n LYS 167 N -1.21 2.45 -1.02 -3.83 4.76 -0.03 -5.00 118.16 114.28 1va4 n LYS 167 Ca 0.09 -3.64 -0.01 0.00 -2.87 0.00 0.00 58.31 51.88 1va4 n LYS 167 Cb 0.11 -1.82 -0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1va4 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1va4 n GLY 168 N -0.76 0.37 3.79 0.72 0.00 -1.09 -5.04 105.19 103.18 1va4 n GLY 168 Ca 0.29 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1va4 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1va4 s GLN 169 N -0.93 3.10 -0.19 1.61 -1.52 -0.61 -5.00 119.66 116.11 1va4 s GLN 169 Ca 0.00 1.28 -0.00 0.00 -1.95 0.00 0.00 55.36 54.69 1va4 s GLN 169 Cb 0.00 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.80 1va4 s GLN 169 CO 0.00 -1.00 -0.15 0.08 -0.25 0.00 0.00 175.29 173.97 1va4 s VAL 170 N -2.40 2.46 -0.02 1.09 1.01 -1.26 -4.41 120.40 116.87 1va4 s VAL 170 Ca 0.65 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1va4 s VAL 170 Cb -0.18 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1va4 s VAL 170 CO 0.39 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 175.33 1va4 s VAL 171 N 1.29 -0.02 0.85 2.92 1.01 -1.26 -4.97 120.40 120.22 1va4 s VAL 171 Ca 0.04 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1va4 s VAL 171 Cb -0.14 -0.11 0.11 0.00 0.00 0.00 0.00 36.38 36.24 1va4 s VAL 171 CO -0.09 0.09 1.11 -0.94 0.00 0.00 0.00 175.10 175.28 1va4 s SER 172 N 1.02 3.66 0.27 3.32 1.04 -1.26 -4.86 113.70 116.89 1va4 s SER 172 Ca -0.09 1.97 -0.02 0.00 0.48 0.00 0.00 55.95 58.29 1va4 s SER 172 Cb -0.12 -2.52 0.45 0.00 0.10 0.00 0.00 66.02 63.92 1va4 s SER 172 CO -0.03 -2.59 1.86 1.56 0.98 0.00 0.00 173.24 175.02 1va4 h GLN 173 N -1.52 1.06 -0.35 4.02 4.20 -2.01 -2.41 115.11 118.11 1va4 h GLN 173 Ca -0.44 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.27 1va4 h GLN 173 Cb 1.25 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.74 1va4 h GLN 173 CO 0.47 0.70 0.01 0.78 -0.67 0.00 0.00 178.83 180.12 1va4 h GLY 174 N 1.09 0.35 1.03 3.46 0.00 -1.99 0.24 103.07 107.26 1va4 h GLY 174 Ca 0.45 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 1va4 h GLY 174 CO -0.21 -0.07 0.15 -2.08 0.00 0.00 0.00 176.54 174.33 1va4 h VAL 175 N 0.11 1.26 -0.83 4.60 2.07 -1.86 -0.29 116.25 121.31 1va4 h VAL 175 Ca 0.17 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1va4 h VAL 175 Cb 0.23 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1va4 h VAL 175 CO -0.27 0.35 0.40 1.56 0.02 0.00 0.00 177.57 179.63 1va4 h GLN 176 N 0.93 1.20 -0.33 1.57 4.20 -0.91 -0.65 115.11 121.12 1va4 h GLN 176 Ca 0.20 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1va4 h GLN 176 Cb 0.37 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1va4 h GLN 176 CO 0.00 0.93 -0.05 1.15 -0.67 0.00 0.00 178.83 180.19 1va4 h THR 177 N 1.19 1.27 -0.88 -0.54 2.02 -0.27 -2.44 112.91 113.26 1va4 h THR 177 Ca 0.29 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1va4 h THR 177 Cb 0.12 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1va4 h THR 177 CO -0.04 0.35 0.58 -0.61 0.37 0.00 0.00 175.52 176.17 1va4 h GLN 178 N 0.40 1.13 -0.04 6.66 4.15 -0.83 -0.45 115.11 126.12 1va4 h GLN 178 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1va4 h GLN 178 Cb 0.53 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1va4 h GLN 178 CO 0.03 0.75 0.03 1.15 -1.93 0.00 0.00 178.83 178.85 1va4 h THR 179 N 1.16 1.03 -0.79 2.39 2.02 -1.01 -1.59 112.91 116.13 1va4 h THR 179 Ca 0.33 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1va4 h THR 179 Cb -0.10 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1va4 h THR 179 CO -0.08 0.03 0.40 0.25 0.37 0.00 0.00 175.52 176.48 1va4 h LEU 180 N 0.03 1.02 -0.46 2.58 5.85 -1.20 -1.83 115.31 121.30 1va4 h LEU 180 Ca 0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1va4 h LEU 180 Cb 0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1va4 h LEU 180 CO -0.00 0.86 0.21 -0.61 -0.34 0.00 0.00 178.44 178.56 1va4 h GLN 181 N 1.11 0.66 -0.33 1.25 4.15 -0.80 -1.85 115.11 119.31 1va4 h GLN 181 Ca 0.27 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1va4 h GLN 181 Cb 0.10 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1va4 h GLN 181 CO -0.04 0.57 0.05 0.82 -1.93 0.00 0.00 178.83 178.31 1va4 h ILE 182 N 0.60 1.24 -0.28 2.39 2.04 -1.22 -2.99 117.51 119.28 1va4 h ILE 182 Ca 0.16 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1va4 h ILE 182 Cb 0.14 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1va4 h ILE 182 CO -0.02 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.54 1va4 h ALA 183 N 0.89 1.71 0.00 1.87 0.00 -1.12 -2.48 119.26 120.12 1va4 h ALA 183 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1va4 h ALA 183 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1va4 h ALA 183 CO 0.01 0.24 -0.23 -0.07 0.00 0.00 0.00 179.25 179.20 1va4 h LEU 184 N 0.39 0.00 -1.74 0.00 3.38 -1.19 -2.53 115.31 113.62 1va4 h LEU 184 Ca 0.10 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1va4 h LEU 184 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1va4 h LEU 184 CO -0.01 0.23 0.25 -0.07 0.09 0.00 0.00 178.44 178.92 1va4 h LEU 185 N 0.00 0.29-10.27 1.67 3.38 -1.39 -3.45 115.31 105.53 1va4 h LEU 185 Ca -0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1va4 h LEU 185 Cb 0.72 -0.07 0.14 0.00 0.09 0.00 0.00 40.66 41.54 1va4 h LEU 185 CO 0.03 0.20 0.32 0.00 0.09 0.00 0.00 178.44 179.08 1va4 s ALA 186 N -5.32 2.15 0.22 1.53 0.00 -0.96 -4.57 121.76 114.81 1va4 s ALA 186 Ca -0.07 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1va4 s ALA 186 Cb 0.18 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1va4 s ALA 186 CO 0.72 -1.85 1.21 0.45 0.00 0.00 0.00 175.76 176.29 1va4 s SER 187 N -2.97 7.05 0.17 0.00 0.15 0.29 -4.96 113.70 113.42 1va4 s SER 187 Ca 0.64 2.32 -0.15 0.00 0.70 0.00 0.00 55.95 59.46 1va4 s SER 187 Cb -0.20 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.61 1va4 s SER 187 CO 0.52 -0.38 1.71 0.25 1.20 0.00 0.00 173.24 176.55 1va4 h LEU 188 N 4.83 -0.05 -0.25 3.45 5.85 -1.94 -1.09 115.31 126.10 1va4 h LEU 188 Ca -0.45 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1va4 h LEU 188 Cb 1.21 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1va4 h LEU 188 CO 0.73 0.01 0.15 0.50 -0.34 0.00 0.00 178.44 179.49 1va4 h LYS 189 N 0.17 0.33 -0.66 1.25 1.63 -1.96 -1.75 116.57 115.58 1va4 h LYS 189 Ca 0.20 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 1va4 h LYS 189 Cb 0.26 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1va4 h LYS 189 CO -0.28 0.26 0.20 0.00 -3.45 0.00 0.00 179.45 176.17 1va4 h ALA 190 N 1.06 1.10 -0.75 5.00 0.00 -1.83 -0.28 119.26 123.57 1va4 h ALA 190 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1va4 h ALA 190 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1va4 h ALA 190 CO -0.02 0.61 0.34 1.15 0.00 0.00 0.00 179.25 181.33 1va4 h THR 191 N 0.98 1.25 -0.07 0.00 2.02 -0.86 -0.88 112.91 115.34 1va4 h THR 191 Ca 0.22 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 1va4 h THR 191 Cb 0.29 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1va4 h THR 191 CO -0.01 0.30 -0.42 0.58 0.37 0.00 0.00 175.52 176.34 1va4 h VAL 192 N 1.06 1.41 -0.34 3.16 2.07 -1.10 -3.19 116.25 119.32 1va4 h VAL 192 Ca 0.25 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1va4 h VAL 192 Cb 0.15 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1va4 h VAL 192 CO -0.03 0.53 0.17 0.44 0.02 0.00 0.00 177.57 178.70 1va4 h ASP 193 N -0.05 0.41 -0.58 0.57 3.32 -0.93 -1.97 116.42 117.18 1va4 h ASP 193 Ca -0.03 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1va4 h ASP 193 Cb 1.08 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1va4 h ASP 193 CO 0.09 0.34 0.24 0.00 -1.72 0.00 0.00 179.24 178.19 1va4 h VAL 195 N 0.89 0.78 -0.49 0.00 2.07 -1.34 0.12 116.25 118.27 1va4 h VAL 195 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1va4 h VAL 195 Cb 0.18 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1va4 h VAL 195 CO -0.02 0.00 0.28 0.71 0.02 0.00 0.00 177.57 178.56 1va4 h THR 196 N -0.04 1.02 0.06 2.57 1.35 -1.34 -0.56 112.91 115.98 1va4 h THR 196 Ca 0.09 -0.19 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1va4 h THR 196 Cb 0.17 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 1va4 h THR 196 CO -0.19 0.10 -0.19 0.00 -0.25 0.00 0.00 175.52 174.99 1va4 h ALA 197 N 1.23 -0.29 0.00 6.62 0.00 -0.61 -2.59 119.26 123.63 1va4 h ALA 197 Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1va4 h ALA 197 Cb 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1va4 h ALA 197 CO -0.11 -0.71 -0.50 0.27 0.00 0.00 0.00 179.25 178.21 1va4 h PHE 198 N -0.34 0.00 -0.62 0.00 -5.15 -0.68 -2.19 116.94 107.95 1va4 h PHE 198 Ca 0.04 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.72 1va4 h PHE 198 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.53 1va4 h PHE 198 CO -0.21 0.50 0.05 0.00 -2.00 0.00 0.00 178.31 176.66 1va4 h ALA 199 N 1.50 0.92 -0.00 12.09 0.00 -1.07 -3.39 119.26 129.31 1va4 h ALA 199 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1va4 h ALA 199 Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1va4 h ALA 199 CO 0.07 0.66 -0.08 0.39 0.00 0.00 0.00 179.25 180.28 1va4 n GLU 200 N -4.20 5.32 -2.82 0.00 1.02 -0.98 -2.15 120.64 116.83 1va4 n GLU 200 Ca 0.04 -0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.68 1va4 n GLU 200 Cb 0.31 -0.66 -0.04 0.00 -0.02 0.00 0.00 31.44 31.03 1va4 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1va4 s THR 201 N -1.06 4.78 -0.35 2.62 2.01 -0.83 -5.01 115.64 117.80 1va4 s THR 201 Ca 0.01 1.88 -0.12 0.00 0.31 0.00 0.00 61.69 63.77 1va4 s THR 201 Cb 0.02 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1va4 s THR 201 CO 0.08 0.26 0.21 -0.62 -0.69 0.00 0.00 174.62 173.86 1va4 s ASP 202 N 0.51 5.83 -0.13 3.53 -1.08 -1.26 -4.50 116.67 119.56 1va4 s ASP 202 Ca 0.46 -0.68 0.17 0.00 -0.52 0.00 0.00 52.55 51.98 1va4 s ASP 202 Cb -0.21 -2.07 0.74 0.00 -1.46 0.00 0.00 42.92 39.92 1va4 s ASP 202 CO 0.26 -0.30 1.65 0.49 0.52 0.00 0.00 175.17 177.79 1va4 n PHE 203 N 5.05 1.60 -0.27 -5.34 3.72 0.12 -4.56 117.46 117.78 1va4 n PHE 203 Ca -0.13 -0.62 -0.05 0.00 -0.05 0.00 0.00 57.45 56.61 1va4 n PHE 203 Cb 0.48 -0.29 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1va4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va4 h ARG 204 N 4.09 0.98 -0.80 -1.08 -0.00 -1.89 -2.15 114.38 113.53 1va4 h ARG 204 Ca 0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1va4 h ARG 204 Cb 1.55 -0.22 -0.04 0.00 0.00 0.00 0.00 29.97 31.26 1va4 h ARG 204 CO 0.28 0.65 0.49 -1.35 0.00 0.00 0.00 179.97 180.04 1va4 h PRO 205 N 1.00 1.08 -0.85 0.04 0.11 -1.93 -2.36 132.00 129.09 1va4 h PRO 205 Ca 0.27 -0.09 0.17 0.00 0.11 0.00 0.00 66.00 66.45 1va4 h PRO 205 Cb -0.11 -0.23 -0.10 0.00 0.11 0.00 0.00 31.00 30.67 1va4 h PRO 205 CO -0.06 0.75 0.41 -0.44 -0.21 0.00 0.00 178.00 178.46 1va4 h ASP 206 N 1.09 0.44 -0.67 -2.05 5.19 -1.76 -2.34 116.42 116.32 1va4 h ASP 206 Ca 0.29 0.11 0.10 0.00 -0.62 0.00 0.00 57.03 56.91 1va4 h ASP 206 Cb -0.05 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1va4 h ASP 206 CO -0.05 0.14 0.44 0.24 -3.12 0.00 0.00 179.24 176.89 1va4 h MET 207 N 0.54 0.49 0.00 3.56 2.86 -0.84 -0.71 114.93 120.84 1va4 h MET 207 Ca 0.49 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1va4 h MET 207 Cb 0.77 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1va4 h MET 207 CO -0.41 0.33 0.00 0.00 1.06 0.00 0.00 176.91 177.88 1va4 n ALA 208 N -2.50 1.98 1.10 6.32 0.00 -0.88 -2.57 120.51 123.95 1va4 n ALA 208 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1va4 n ALA 208 Cb 0.37 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.55 1va4 n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1va4 n LYS 209 N -2.27 0.72 -2.83 0.00 5.02 -0.28 -4.83 118.16 113.68 1va4 n LYS 209 Ca 0.04 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.38 1va4 n LYS 209 Cb 0.34 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1va4 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1va4 s ILE 210 N -2.64 4.50 -0.27 -0.18 1.01 -1.06 -4.87 121.20 117.69 1va4 s ILE 210 Ca 0.18 0.79 0.09 0.00 0.00 0.00 0.00 60.65 61.71 1va4 s ILE 210 Cb 0.18 -4.41 0.46 0.00 0.01 0.00 0.00 42.46 38.70 1va4 s ILE 210 CO 0.61 -0.78 1.19 -0.90 0.00 0.00 0.00 174.94 175.06 1va4 n ASP 211 N 7.07 4.21 -4.27 3.58 5.75 -1.26 -4.49 116.55 127.14 1va4 n ASP 211 Ca 0.06 -3.64 -0.18 0.00 -0.01 0.00 0.00 54.79 51.02 1va4 n ASP 211 Cb 0.48 -0.38 -0.11 0.00 -1.03 0.00 0.00 41.12 40.09 1va4 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1va4 s VAL 212 N -4.30 1.45 0.24 2.12 -7.23 -1.26 -5.12 120.40 106.30 1va4 s VAL 212 Ca 0.47 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1va4 s VAL 212 Cb 0.40 -1.68 -0.14 0.00 0.56 0.00 0.00 36.38 35.52 1va4 s VAL 212 CO 0.02 -0.45 1.22 -2.65 -0.31 0.00 0.00 175.10 172.93 1va4 n PRO 213 N 0.32 1.62 -3.85 4.82 -0.02 -1.26 -4.77 135.00 131.85 1va4 n PRO 213 Ca -0.14 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1va4 n PRO 213 Cb 0.58 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 1va4 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1va4 s THR 214 N -0.47 0.03 -0.14 3.45 2.01 -1.26 -1.31 115.64 117.96 1va4 s THR 214 Ca 0.66 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.76 1va4 s THR 214 Cb -0.71 -0.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1va4 s THR 214 CO 0.54 0.08 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.18 1va4 s LEU 215 N 0.68 2.54 -0.20 4.42 2.96 0.02 -1.09 118.68 128.01 1va4 s LEU 215 Ca -0.06 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1va4 s LEU 215 Cb -0.09 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1va4 s LEU 215 CO -0.02 0.13 0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 1va4 s VAL 216 N 0.55 4.07 -0.04 1.68 1.01 0.36 -0.51 120.40 127.52 1va4 s VAL 216 Ca -0.10 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1va4 s VAL 216 Cb -0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1va4 s VAL 216 CO 0.04 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.73 1va4 s ILE 217 N 0.88 1.72 -0.07 2.22 1.01 -0.36 -0.94 121.20 125.66 1va4 s ILE 217 Ca 0.01 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1va4 s ILE 217 Cb -0.14 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.92 1va4 s ILE 217 CO 0.02 0.49 0.46 -2.28 0.00 0.00 0.00 174.94 173.63 1va4 s HIS 218 N -0.17 -0.41 0.03 3.97 2.46 -0.92 -0.90 115.29 119.36 1va4 s HIS 218 Ca -0.01 0.78 -0.24 0.00 0.47 0.00 0.00 55.06 56.06 1va4 s HIS 218 Cb -0.12 0.21 -0.05 0.00 -0.13 0.00 0.00 32.58 32.49 1va4 s HIS 218 CO 0.02 -0.42 0.73 0.20 -2.47 0.00 0.00 174.74 172.80 1va4 s GLY 219 N -0.89 2.75 0.00 1.59 0.00 -1.26 -1.40 107.32 108.12 1va4 s GLY 219 Ca -0.09 0.23 0.16 0.00 0.00 0.00 0.00 44.72 45.01 1va4 s GLY 219 CO 0.05 1.03 1.42 2.09 0.00 0.00 0.00 173.10 177.69 1va4 n ASP 220 N 2.81 1.47 -1.50 1.64 5.68 -1.11 -2.80 116.55 122.74 1va4 n ASP 220 Ca -0.03 -1.80 0.11 0.00 -0.50 0.00 0.00 54.79 52.56 1va4 n ASP 220 Cb 0.50 -0.13 0.35 0.00 -1.14 0.00 0.00 41.12 40.70 1va4 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1va4 n GLY 221 N 1.03 2.61 3.61 6.12 0.00 -0.70 -4.74 105.19 113.12 1va4 n GLY 221 Ca 0.13 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1va4 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1va4 s ASP 222 N -0.95 5.93 0.00 1.61 -1.08 -0.96 -4.48 116.67 116.74 1va4 s ASP 222 Ca 0.51 1.54 0.29 0.00 -0.52 0.00 0.00 52.55 54.36 1va4 s ASP 222 Cb 0.30 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 40.42 1va4 s ASP 222 CO 0.30 -1.64 1.85 0.00 0.52 0.00 0.00 175.17 176.19 1va4 n GLN 223 N 8.31 0.42 -0.07 4.34 6.02 -1.26 -4.35 117.38 130.79 1va4 n GLN 223 Ca 0.23 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 1va4 n GLN 223 Cb 0.46 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 1va4 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1va4 n ILE 224 N -1.19 1.33 -3.85 5.09 2.08 -1.26 -4.89 119.36 116.67 1va4 n ILE 224 Ca 0.12 0.05 -0.34 0.00 0.56 0.00 0.00 62.75 63.13 1va4 n ILE 224 Cb 0.29 -2.03 -0.13 0.00 -0.75 0.00 0.00 39.64 37.03 1va4 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1va4 s VAL 225 N -2.57 3.00 0.06 1.39 1.01 -1.26 -5.08 120.40 116.94 1va4 s VAL 225 Ca -0.24 -2.28 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 1va4 s VAL 225 Cb 0.06 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1va4 s VAL 225 CO 0.33 -0.69 1.78 -2.16 0.00 0.00 0.00 175.10 174.36 1va4 s PRO 226 N 0.90 4.17 0.24 2.72 0.04 -1.26 -4.80 135.00 137.00 1va4 s PRO 226 Ca 0.10 2.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.53 1va4 s PRO 226 Cb -0.22 -3.80 0.45 0.00 0.04 0.00 0.00 34.50 30.97 1va4 s PRO 226 CO -0.05 -0.83 1.68 0.35 0.04 0.00 0.00 177.00 178.19 1va4 h PHE 227 N 9.15 0.25 0.00 0.56 3.04 -1.81 -2.72 116.94 125.41 1va4 h PHE 227 Ca -0.45 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.49 1va4 h PHE 227 Cb 1.21 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 1va4 h PHE 227 CO 0.84 -0.09 -0.27 0.93 -2.02 0.00 0.00 178.31 177.70 1va4 h GLU 228 N 0.26 0.00 -0.15 1.11 4.39 -1.94 -1.77 114.58 116.47 1va4 h GLU 228 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1va4 h GLU 228 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1va4 h GLU 228 CO -0.51 0.27 0.00 0.25 -1.16 0.00 0.00 179.01 177.85 1va4 n THR 229 N -3.74 0.35 0.00 1.13 -2.24 -1.13 -4.36 114.28 104.28 1va4 n THR 229 Ca -0.01 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1va4 n THR 229 Cb 0.37 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1va4 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1va4 n THR 230 N 0.70 0.00 -0.29 4.28 -2.24 -1.04 -4.62 114.28 111.07 1va4 n THR 230 Ca 0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1va4 n THR 230 Cb 0.36 -0.01 0.19 0.00 -2.10 0.00 0.00 70.33 68.77 1va4 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1va4 h GLY 231 N 0.00 1.29 0.56 3.38 0.00 -1.59 0.19 103.07 106.90 1va4 h GLY 231 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.14 1va4 h GLY 231 CO 0.00 0.04 0.38 1.70 0.00 0.00 0.00 176.54 178.66 1va4 h LYS 232 N 0.68 0.65 -0.02 4.80 3.64 -1.58 -1.39 116.57 123.35 1va4 h LYS 232 Ca 0.42 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.60 1va4 h LYS 232 Cb 0.50 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1va4 h LYS 232 CO -0.31 0.43 -0.62 0.28 -2.27 0.00 0.00 179.45 176.96 1va4 h VAL 233 N 0.67 1.41 -0.77 2.00 2.07 -1.17 -3.21 116.25 117.24 1va4 h VAL 233 Ca 0.34 -2.06 0.04 0.00 0.82 0.00 0.00 66.70 65.84 1va4 h VAL 233 Cb 0.29 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 1va4 h VAL 233 CO -0.23 0.60 0.50 0.00 0.02 0.00 0.00 177.57 178.47 1va4 h ALA 234 N 0.35 1.56 0.00 1.67 0.00 -0.59 -0.90 119.26 121.34 1va4 h ALA 234 Ca -0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1va4 h ALA 234 Cb 1.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1va4 h ALA 234 CO 0.12 0.36 -0.31 0.00 0.00 0.00 0.00 179.25 179.43 1va4 h ALA 235 N 1.56 1.31 0.03 0.00 0.00 -1.27 -2.18 119.26 118.71 1va4 h ALA 235 Ca 0.31 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1va4 h ALA 235 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1va4 h ALA 235 CO -0.09 0.39 -1.20 0.93 0.00 0.00 0.00 179.25 179.27 1va4 h GLU 236 N 0.00 0.07 0.00 0.00 5.08 -1.35 -3.35 114.58 115.02 1va4 h GLU 236 Ca -0.00 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1va4 h GLU 236 Cb 0.62 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1va4 h GLU 236 CO 0.04 0.97 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.51 1va4 h LEU 237 N 0.02 0.00 -8.99 1.33 3.38 -0.93 -3.44 115.31 106.68 1va4 h LEU 237 Ca -0.09 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.26 1va4 h LEU 237 Cb 1.86 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.48 1va4 h LEU 237 CO 0.14 0.21 -0.12 -0.63 0.09 0.00 0.00 178.44 178.13 1va4 s ILE 238 N -3.13 5.12 0.15 1.22 1.01 -0.84 -4.57 121.20 120.16 1va4 s ILE 238 Ca 0.04 0.75 -0.33 0.00 0.00 0.00 0.00 60.65 61.11 1va4 s ILE 238 Cb 0.07 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 1va4 s ILE 238 CO 0.73 0.14 1.66 0.29 0.00 0.00 0.00 174.94 177.76 1va4 n LYS 239 N 5.30 2.38 -0.95 2.79 5.02 -1.26 -2.01 118.16 129.42 1va4 n LYS 239 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1va4 n LYS 239 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1va4 n LYS 239 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1va4 n GLY 240 N 3.71 0.55 3.76 0.72 0.00 -1.26 -4.87 105.19 107.81 1va4 n GLY 240 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1va4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va4 s ALA 241 N -2.44 3.08 -0.00 4.61 0.00 -0.85 -4.63 121.76 121.52 1va4 s ALA 241 Ca 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 1va4 s ALA 241 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1va4 s ALA 241 CO 0.00 -0.91 0.29 -2.00 0.00 0.00 0.00 175.76 173.14 1va4 s GLU 242 N -2.53 3.65 -0.11 0.00 2.12 -0.25 -4.95 118.70 116.64 1va4 s GLU 242 Ca 0.62 0.04 0.03 0.00 0.36 0.00 0.00 54.97 56.03 1va4 s GLU 242 Cb -0.36 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1va4 s GLU 242 CO 0.45 0.66 -0.22 -1.17 -0.54 0.00 0.00 175.26 174.44 1va4 s LEU 243 N -1.55 2.02 -0.09 2.70 2.96 -1.26 -0.48 118.68 122.98 1va4 s LEU 243 Ca 0.26 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1va4 s LEU 243 Cb -0.14 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.22 1va4 s LEU 243 CO 0.14 0.12 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.53 1va4 s LYS 244 N 0.54 2.70 -0.21 1.98 1.02 -0.12 -4.98 119.74 120.66 1va4 s LYS 244 Ca -0.15 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 1va4 s LYS 244 Cb -0.17 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1va4 s LYS 244 CO 0.05 0.17 -0.03 0.08 -0.92 0.00 0.00 175.35 174.70 1va4 s VAL 245 N 0.34 3.57 -0.27 3.17 1.01 -1.26 -2.16 120.40 124.80 1va4 s VAL 245 Ca -0.16 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1va4 s VAL 245 Cb -0.17 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1va4 s VAL 245 CO 0.07 0.43 0.69 -0.31 0.00 0.00 0.00 175.10 175.98 1va4 s TYR 246 N 1.28 3.26 0.07 5.22 1.51 -0.49 -4.96 117.35 123.23 1va4 s TYR 246 Ca 0.03 0.82 -0.31 0.00 -1.01 0.00 0.00 57.07 56.61 1va4 s TYR 246 Cb -0.14 -2.97 -0.09 0.00 -0.11 0.00 0.00 41.96 38.65 1va4 s TYR 246 CO -0.01 -0.41 1.72 0.15 -1.11 0.00 0.00 175.55 175.89 1va4 s LYS 247 N 2.66 4.18 0.00 -0.62 1.02 -1.26 -2.27 119.74 123.45 1va4 s LYS 247 Ca 0.28 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.68 1va4 s LYS 247 Cb -0.15 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1va4 s LYS 247 CO 0.10 -0.79 0.00 -0.25 -0.92 0.00 0.00 175.35 173.49 1va4 n ASP 248 N 5.93 -4.18 -4.77 2.83 8.00 -1.26 -4.92 116.55 118.18 1va4 n ASP 248 Ca 0.17 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 1va4 n ASP 248 Cb 0.40 -2.80 -0.01 0.00 -0.02 0.00 0.00 41.12 38.70 1va4 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1va4 s ALA 249 N -1.24 2.86 0.97 2.24 0.00 -0.96 -4.22 121.76 121.41 1va4 s ALA 249 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1va4 s ALA 249 Cb 0.00 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.91 1va4 s ALA 249 CO 0.00 -0.67 0.92 -0.35 0.00 0.00 0.00 175.76 175.66 1va4 n PRO 250 N -0.81 -0.83 -0.08 0.00 -0.04 -1.26 -1.71 135.00 130.26 1va4 n PRO 250 Ca 0.09 -1.49 -0.09 0.00 -0.04 0.00 0.00 63.50 61.97 1va4 n PRO 250 Cb 0.49 -0.93 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 1va4 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1va4 h HIS 251 N -1.46 0.32 -0.11 0.54 -0.00 -1.76 -3.29 115.15 109.38 1va4 h HIS 251 Ca -0.30 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 59.90 1va4 h HIS 251 Cb 0.84 -0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 28.08 1va4 h HIS 251 CO 0.00 0.19 -0.21 0.41 -0.00 0.00 0.00 177.93 178.32 1va4 n GLY 252 N -1.18 3.05 0.00 5.26 0.00 0.25 -4.57 105.19 108.00 1va4 n GLY 252 Ca -0.01 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1va4 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1va4 n PHE 253 N 2.06 0.00 0.26 1.61 1.16 -1.24 -2.06 117.46 119.25 1va4 n PHE 253 Ca 0.33 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 56.05 1va4 n PHE 253 Cb 0.78 -0.49 0.70 0.00 -1.61 0.00 0.00 39.48 38.86 1va4 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1va4 h ALA 254 N 2.78 1.12 0.00 1.98 0.00 -1.88 0.44 119.26 123.71 1va4 h ALA 254 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1va4 h ALA 254 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1va4 h ALA 254 CO 0.00 0.14 -0.37 0.28 0.00 0.00 0.00 179.25 179.30 1va4 h VAL 255 N 0.00 0.25 0.00 0.00 2.07 -1.79 -3.28 116.25 113.50 1va4 h VAL 255 Ca -0.00 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1va4 h VAL 255 Cb 0.45 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1va4 h VAL 255 CO 0.01 0.09 -0.25 0.71 0.02 0.00 0.00 177.57 178.15 1va4 h THR 256 N -1.00 0.74 -0.53 2.57 1.35 -1.48 -3.07 112.91 111.48 1va4 h THR 256 Ca -0.04 -1.05 -0.38 0.00 -0.55 0.00 0.00 66.41 64.39 1va4 h THR 256 Cb 0.46 1.66 -0.37 0.00 -1.73 0.00 0.00 68.15 68.17 1va4 h THR 256 CO -0.02 0.25 -0.88 1.41 -0.25 0.00 0.00 175.52 176.02 1va4 n HIS 257 N -3.60 1.87 -0.09 4.73 -0.00 0.14 -4.91 115.22 113.35 1va4 n HIS 257 Ca -0.01 -2.02 -0.06 0.00 -0.00 0.00 0.00 57.72 55.64 1va4 n HIS 257 Cb 0.38 -0.29 0.01 0.00 -0.00 0.00 0.00 29.99 30.09 1va4 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1va4 h ALA 258 N 2.09 0.26 -0.27 -1.41 0.00 -1.58 -1.21 119.26 117.15 1va4 h ALA 258 Ca 0.15 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1va4 h ALA 258 Cb 1.42 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1va4 h ALA 258 CO 0.48 -0.44 -0.05 0.37 0.00 0.00 0.00 179.25 179.61 1va4 h GLN 259 N 0.04 0.51 -0.71 0.00 4.15 -1.89 0.81 115.11 118.01 1va4 h GLN 259 Ca 0.16 -0.19 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1va4 h GLN 259 Cb 0.24 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1va4 h GLN 259 CO -0.32 0.71 0.43 0.37 -1.93 0.00 0.00 178.83 178.09 1va4 h GLN 260 N 0.26 0.79 -0.34 1.69 4.15 -1.93 -1.21 115.11 118.53 1va4 h GLN 260 Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1va4 h GLN 260 Cb 0.51 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1va4 h GLN 260 CO 0.02 0.53 0.00 1.25 -1.93 0.00 0.00 178.83 178.70 1va4 h LEU 261 N 0.82 0.58 -0.51 -2.39 5.85 -0.93 -0.91 115.31 117.82 1va4 h LEU 261 Ca 0.30 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1va4 h LEU 261 Cb 0.10 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1va4 h LEU 261 CO -0.14 0.75 0.19 0.78 -0.34 0.00 0.00 178.44 179.67 1va4 h ASN 262 N 0.41 0.21 -0.49 1.25 2.35 -0.35 0.33 115.58 119.28 1va4 h ASN 262 Ca 0.10 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1va4 h ASN 262 Cb 0.44 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1va4 h ASN 262 CO 0.02 0.15 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.56 1va4 h GLU 263 N 0.38 0.94 -0.24 0.81 5.08 -1.07 -1.67 114.58 118.81 1va4 h GLU 263 Ca 0.24 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1va4 h GLU 263 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1va4 h GLU 263 CO -0.24 0.96 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.85 1va4 h ASP 264 N 0.85 0.63 -0.30 1.42 3.32 -0.61 -1.29 116.42 120.44 1va4 h ASP 264 Ca 0.15 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1va4 h ASP 264 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1va4 h ASP 264 CO 0.03 0.98 0.09 -0.07 -1.72 0.00 0.00 179.24 178.55 1va4 h LEU 265 N 0.47 0.45 -0.73 1.55 3.38 -0.77 -1.86 115.31 117.80 1va4 h LEU 265 Ca 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1va4 h LEU 265 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1va4 h LEU 265 CO 0.09 0.54 0.33 0.25 0.09 0.00 0.00 178.44 179.74 1va4 h LEU 266 N 0.33 0.98 -0.55 1.67 5.85 -1.12 -1.44 115.31 121.03 1va4 h LEU 266 Ca 0.10 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1va4 h LEU 266 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1va4 h LEU 266 CO -0.00 0.86 -0.35 0.00 -0.34 0.00 0.00 178.44 178.62 1va4 h ALA 267 N 1.16 0.73 -0.38 1.25 0.00 -1.21 -0.98 119.26 119.84 1va4 h ALA 267 Ca 0.25 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1va4 h ALA 267 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1va4 h ALA 267 CO -0.03 0.66 0.17 0.35 0.00 0.00 0.00 179.25 180.40 1va4 h PHE 268 N 0.66 0.31 -0.14 0.00 3.57 -1.08 -1.31 116.94 118.95 1va4 h PHE 268 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1va4 h PHE 268 Cb 0.89 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1va4 h PHE 268 CO 0.05 0.15 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.06 1va4 h LEU 269 N 0.35 0.21 0.00 0.59 3.38 -0.85 -2.94 115.31 116.05 1va4 h LEU 269 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1va4 h LEU 269 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1va4 h LEU 269 CO -0.13 0.38 -0.41 0.29 0.09 0.00 0.00 178.44 178.66 1va4 n LYS 270 N -4.26 0.02 0.00 1.13 5.02 -0.41 -5.11 118.16 114.56 1va4 n LYS 270 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1va4 n LYS 270 Cb 0.28 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1va4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77