#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 0.20 0.20 0.44 -4.23 -1.26 -0.82 115.64 110.17 1va4 s THR 2 Ca 0.00 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1va4 s THR 2 Cb 0.00 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1va4 s THR 2 CO 0.00 -0.78 0.12 0.72 -0.54 0.00 0.00 174.62 174.13 1va4 s PHE 3 N -2.88 1.16 -0.21 3.99 -0.12 -0.87 -4.99 117.98 114.05 1va4 s PHE 3 Ca -0.02 -1.35 -0.01 0.00 -0.05 0.00 0.00 56.93 55.50 1va4 s PHE 3 Cb 0.00 -0.58 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 1va4 s PHE 3 CO -0.06 -0.60 -0.12 0.08 -0.05 0.00 0.00 175.22 174.47 1va4 s VAL 4 N -4.11 2.64 0.99 -2.49 1.01 -1.26 -0.49 120.40 116.69 1va4 s VAL 4 Ca 0.37 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1va4 s VAL 4 Cb 0.07 -2.20 0.18 0.00 0.00 0.00 0.00 36.38 34.44 1va4 s VAL 4 CO 0.11 0.43 1.08 0.00 0.00 0.00 0.00 175.10 176.72 1va4 s ALA 5 N 1.35 0.93 0.30 5.51 0.00 0.55 -4.88 121.76 125.53 1va4 s ALA 5 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1va4 s ALA 5 Cb -0.14 -3.17 0.70 0.00 0.00 0.00 0.00 23.12 20.51 1va4 s ALA 5 CO -0.08 -2.85 1.80 -0.22 0.00 0.00 0.00 175.76 174.42 1va4 h LYS 6 N -1.90 0.80 -0.12 0.00 3.64 -1.96 -0.24 116.57 116.79 1va4 h LYS 6 Ca -0.54 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1va4 h LYS 6 Cb 1.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1va4 h LYS 6 CO 0.55 0.53 0.00 -0.40 -2.27 0.00 0.00 179.45 177.86 1va4 n ASP 7 N -4.70 0.81 0.00 4.20 5.68 -1.26 -4.87 116.55 116.41 1va4 n ASP 7 Ca 0.22 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1va4 n ASP 7 Cb 0.51 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.84 0.45 3.64 6.12 0.00 -0.10 -5.06 105.19 111.08 1va4 n GLY 8 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 4.11 0.02 2.61 2.01 -1.25 -4.79 115.64 116.33 1va4 s THR 9 Ca 0.00 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.98 1va4 s THR 9 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1va4 s THR 9 CO 0.00 -0.33 1.13 -1.58 -0.69 0.00 0.00 174.62 173.15 1va4 s GLN 10 N 4.02 4.46 -0.16 4.92 0.74 -1.26 -0.33 119.66 132.05 1va4 s GLN 10 Ca 0.58 1.64 -0.01 0.00 0.05 0.00 0.00 55.36 57.62 1va4 s GLN 10 Cb -0.20 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 1va4 s GLN 10 CO 0.21 -0.22 -0.10 0.42 -0.55 0.00 0.00 175.29 175.05 1va4 s ILE 11 N 1.22 3.19 0.25 -2.34 -1.09 0.36 -1.08 121.20 121.70 1va4 s ILE 11 Ca 0.56 -0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 58.12 1va4 s ILE 11 Cb -0.26 -2.38 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 1va4 s ILE 11 CO 0.28 0.50 0.89 -0.47 -1.23 0.00 0.00 174.94 174.90 1va4 s TYR 12 N 0.68 3.85 0.15 3.97 5.04 -1.26 -2.06 117.35 127.73 1va4 s TYR 12 Ca -0.05 1.78 -0.12 0.00 -2.44 0.00 0.00 57.07 56.23 1va4 s TYR 12 Cb -0.15 -2.89 0.01 0.00 0.35 0.00 0.00 41.96 39.28 1va4 s TYR 12 CO 0.02 0.38 0.35 -0.59 -1.34 0.00 0.00 175.55 174.37 1va4 s PHE 13 N -1.35 0.11 0.05 4.97 -0.71 -0.00 -0.80 117.98 120.25 1va4 s PHE 13 Ca 0.43 -0.47 0.08 0.00 -1.04 0.00 0.00 56.93 55.93 1va4 s PHE 13 Cb -0.22 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1va4 s PHE 13 CO 0.27 -0.73 -0.19 0.15 -1.34 0.00 0.00 175.22 173.38 1va4 s LYS 14 N -3.89 2.00 -0.24 1.99 1.02 -0.25 -1.31 119.74 119.06 1va4 s LYS 14 Ca 0.10 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1va4 s LYS 14 Cb 0.02 -2.16 0.08 0.00 -0.52 0.00 0.00 37.83 35.26 1va4 s LYS 14 CO -0.05 0.53 0.11 0.34 -0.92 0.00 0.00 175.35 175.36 1va4 s ASP 15 N -1.53 3.10 -0.05 2.83 2.15 -1.26 -1.85 116.67 120.07 1va4 s ASP 15 Ca 0.15 -1.04 0.04 0.00 0.43 0.00 0.00 52.55 52.13 1va4 s ASP 15 Cb -0.10 -0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.14 1va4 s ASP 15 CO 0.06 -0.40 -0.15 0.26 -0.17 0.00 0.00 175.17 174.77 1va4 s TRP 16 N 2.08 2.69 0.00 -5.34 0.51 0.36 -4.98 118.94 114.25 1va4 s TRP 16 Ca 0.06 -0.17 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 1va4 s TRP 16 Cb -0.16 -1.63 0.00 0.00 -0.81 0.00 0.00 33.47 30.87 1va4 s TRP 16 CO -0.25 0.18 0.00 0.41 -0.51 0.00 0.00 176.95 176.78 1va4 n GLY 17 N 2.33 -1.13 3.31 0.98 0.00 -1.26 -0.93 105.19 108.48 1va4 n GLY 17 Ca -0.17 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.19 0.00 1.61 1.04 -1.24 -4.72 113.70 106.21 1va4 s SER 18 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1va4 s SER 18 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1va4 s SER 18 CO 0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1va4 n GLY 19 N -0.21 -0.09 3.74 7.32 0.00 -1.26 -2.66 105.19 112.03 1va4 n GLY 19 Ca -0.15 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 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 0.20 1.61 1.02 -1.26 -4.00 119.74 121.51 1va4 s LYS 20 Ca 0.00 2.42 -0.26 0.00 0.02 0.00 0.00 55.97 58.15 1va4 s LYS 20 Cb 0.00 -3.08 -0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1va4 s LYS 20 CO 0.00 -0.53 0.82 -1.25 -0.92 0.00 0.00 175.35 173.47 1va4 s PRO 21 N -0.24 4.61 -0.16 -1.68 0.04 -1.26 -1.79 135.00 134.53 1va4 s PRO 21 Ca 0.62 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1va4 s PRO 21 Cb -0.45 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1va4 s PRO 21 CO 0.44 0.53 -0.15 0.08 0.04 0.00 0.00 177.00 177.94 1va4 s VAL 22 N -1.21 1.70 -0.17 -0.36 1.01 0.10 -1.60 120.40 119.87 1va4 s VAL 22 Ca 0.38 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1va4 s VAL 22 Cb -0.23 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1va4 s VAL 22 CO 0.27 0.43 -0.09 -0.22 0.00 0.00 0.00 175.10 175.49 1va4 s LEU 23 N 1.42 2.78 -0.10 3.92 0.20 -0.37 -0.63 118.68 125.91 1va4 s LEU 23 Ca 0.04 -0.36 -0.02 0.00 0.69 0.00 0.00 54.13 54.48 1va4 s LEU 23 Cb -0.13 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1va4 s LEU 23 CO -0.11 0.08 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.65 1va4 s PHE 24 N 0.87 3.07 -0.19 5.38 0.40 0.43 -0.27 117.98 127.68 1va4 s PHE 24 Ca -0.03 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1va4 s PHE 24 Cb -0.15 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.60 1va4 s PHE 24 CO 0.00 0.32 -0.14 0.45 0.70 0.00 0.00 175.22 176.55 1va4 s SER 25 N -0.58 3.28 0.85 1.36 0.15 0.94 -3.72 113.70 115.99 1va4 s SER 25 Ca 0.09 -0.79 -0.12 0.00 0.70 0.00 0.00 55.95 55.83 1va4 s SER 25 Cb -0.12 -1.34 0.10 0.00 -1.71 0.00 0.00 66.02 62.96 1va4 s SER 25 CO 0.02 -0.09 1.16 -1.38 1.20 0.00 0.00 173.24 174.16 1va4 s HIS 26 N 1.35 2.79 0.84 3.44 -3.43 -1.26 -1.45 115.29 117.57 1va4 s HIS 26 Ca 0.01 0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 54.97 1va4 s HIS 26 Cb -0.15 -3.44 0.19 0.00 -1.43 0.00 0.00 32.58 27.75 1va4 s HIS 26 CO -0.10 -1.99 1.14 0.41 -2.00 0.00 0.00 174.74 172.21 1va4 n GLY 27 N -2.87 -0.85 3.76 -1.38 0.00 -1.22 -3.30 105.19 99.34 1va4 n GLY 27 Ca 0.07 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.44 2.78 0.00 1.61 -0.00 -1.26 -2.87 118.94 115.76 1va4 s TRP 28 Ca 0.67 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.80 1va4 s TRP 28 Cb -0.02 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.49 1va4 s TRP 28 CO 0.46 -3.02 0.00 1.28 -0.00 0.00 0.00 176.95 175.68 1va4 n LEU 29 N 1.49 0.00 0.00 5.86 4.77 -1.26 -4.97 117.00 122.89 1va4 n LEU 29 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1va4 n LEU 29 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1va4 n LEU 29 CO 0.63 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.87 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.14 -3.24 117.00 119.62 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 -0.07 0.00 -0.90 -1.33 0.00 0.00 177.39 175.09 1va4 n ASP 31 N -0.41 0.00 0.23 -1.43 5.68 -1.26 -4.38 116.55 114.98 1va4 n ASP 31 Ca 0.00 -0.85 0.17 0.00 -0.50 0.00 0.00 54.79 53.62 1va4 n ASP 31 Cb 0.00 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 40.84 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 1.69 0.00 2.12 0.00 -1.90 -1.98 119.26 121.12 1va4 h ALA 32 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 32 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1va4 h ALA 32 CO 0.00 -0.27 -0.05 -0.44 0.00 0.00 0.00 179.25 178.49 1va4 h ASP 33 N 0.00 0.00 0.10 0.00 5.19 -1.95 -1.85 116.42 117.90 1va4 h ASP 33 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1va4 h ASP 33 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1va4 h ASP 33 CO -0.00 0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.17 1va4 h MET 34 N 0.00 0.00 -0.10 3.56 -0.00 -1.77 -2.38 114.93 114.25 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 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1va4 h MET 34 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.83 1va4 n TRP 35 N -2.90 0.10 -0.36 -0.10 7.02 -0.70 -4.66 117.44 115.85 1va4 n TRP 35 Ca -0.02 -0.05 0.08 0.00 -1.02 0.00 0.00 57.50 56.49 1va4 n TRP 35 Cb 0.08 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.23 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 3.99 0.92 -0.04 -0.99 4.11 -1.55 0.91 114.58 121.93 1va4 h GLU 36 Ca 0.00 -0.06 -0.23 0.00 0.07 0.00 0.00 59.36 59.15 1va4 h GLU 36 Cb 0.85 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1va4 h GLU 36 CO 0.00 0.61 -0.90 1.88 0.07 0.00 0.00 179.01 180.67 1va4 h TYR 37 N 0.95 0.81 -0.37 2.06 0.05 -1.84 -1.22 116.97 117.40 1va4 h TYR 37 Ca 0.52 -0.41 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 1va4 h TYR 37 Cb 0.58 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 1va4 h TYR 37 CO -0.00 1.22 -0.25 1.96 -1.05 0.00 0.00 178.16 180.04 1va4 h GLN 38 N 0.34 0.76 -0.06 4.88 7.50 -1.65 -1.38 115.11 125.50 1va4 h GLN 38 Ca -0.08 -0.32 -0.00 0.00 0.50 0.00 0.00 58.65 58.75 1va4 h GLN 38 Cb 1.53 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 29.02 1va4 h GLN 38 CO 0.17 0.93 0.02 0.52 -1.50 0.00 0.00 178.83 178.96 1va4 h MET 39 N 0.66 0.09 -0.82 1.46 2.86 -0.80 -1.39 114.93 116.99 1va4 h MET 39 Ca 0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1va4 h MET 39 Cb 0.76 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1va4 h MET 39 CO 0.06 0.27 0.53 1.49 1.06 0.00 0.00 176.91 180.32 1va4 h GLU 40 N -0.11 1.00 -0.26 1.72 4.22 -1.23 0.18 114.58 120.10 1va4 h GLU 40 Ca 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1va4 h GLU 40 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1va4 h GLU 40 CO -0.00 0.66 0.10 -0.92 -2.18 0.00 0.00 179.01 176.67 1va4 h TYR 41 N 1.03 0.41 0.12 0.92 3.20 -1.05 -2.02 116.97 119.58 1va4 h TYR 41 Ca 0.33 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.87 1va4 h TYR 41 Cb 0.00 -0.12 0.03 0.00 1.54 0.00 0.00 36.73 38.18 1va4 h TYR 41 CO -0.02 0.43 -1.25 -0.07 -1.64 0.00 0.00 178.16 175.61 1va4 h LEU 42 N 0.27 0.82 -1.16 2.82 3.38 -1.20 -3.28 115.31 116.97 1va4 h LEU 42 Ca 0.09 -0.77 -0.05 0.00 0.09 0.00 0.00 57.88 57.24 1va4 h LEU 42 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1va4 h LEU 42 CO -0.01 1.58 -0.24 0.28 0.09 0.00 0.00 178.44 180.14 1va4 h SER 43 N 0.25 0.00 0.38 -0.43 0.02 -0.97 -0.03 113.55 112.78 1va4 h SER 43 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1va4 h SER 43 Cb 1.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1va4 h SER 43 CO 0.23 0.24 0.00 -1.20 -1.14 0.00 0.00 176.83 174.96 1va4 n SER 44 N -3.44 0.00 -0.94 3.07 7.64 -0.76 -3.60 113.62 115.58 1va4 n SER 44 Ca -0.00 -0.18 0.05 0.00 1.01 0.00 0.00 58.87 59.75 1va4 n SER 44 Cb 0.42 -0.24 0.12 0.00 -1.01 0.00 0.00 64.21 63.51 1va4 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1va4 n ARG 45 N -1.24 0.88 -0.44 1.43 1.74 -0.06 -4.99 116.66 113.98 1va4 n ARG 45 Ca 0.13 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 1va4 n ARG 45 Cb 0.18 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.44 0.75 3.53 -0.13 0.00 -1.11 -5.01 105.19 102.78 1va4 n GLY 46 Ca 0.13 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 2.62 -0.08 1.61 2.02 -0.96 -4.23 117.35 116.33 1va4 s TYR 47 Ca 0.00 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.29 1va4 s TYR 47 Cb 0.00 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1va4 s TYR 47 CO 0.00 0.41 0.53 0.50 -1.57 0.00 0.00 175.55 175.42 1va4 s ARG 48 N -2.20 4.33 -0.04 -0.62 3.52 -0.74 -3.69 118.95 119.52 1va4 s ARG 48 Ca 0.20 0.57 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 1va4 s ARG 48 Cb -0.11 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1va4 s ARG 48 CO 0.12 0.21 -0.22 0.95 -0.81 0.00 0.00 175.30 175.54 1va4 s THR 49 N 0.43 1.78 -0.04 4.11 -4.23 -0.11 0.03 115.64 117.61 1va4 s THR 49 Ca 0.29 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1va4 s THR 49 Cb -0.16 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1va4 s THR 49 CO 0.13 0.50 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.97 1va4 s ILE 50 N -0.26 0.95 -0.09 2.99 1.09 0.20 -0.49 121.20 125.59 1va4 s ILE 50 Ca 0.01 -0.44 -0.06 0.00 -1.10 0.00 0.00 60.65 59.07 1va4 s ILE 50 Cb -0.11 -0.84 0.03 0.00 -1.06 0.00 0.00 42.46 40.48 1va4 s ILE 50 CO 0.01 0.29 0.22 0.00 -0.10 0.00 0.00 174.94 175.36 1va4 s ALA 51 N 0.26 -0.51 0.28 9.38 0.00 -0.77 -0.42 121.76 129.98 1va4 s ALA 51 Ca -0.05 0.76 0.11 0.00 0.00 0.00 0.00 51.96 52.78 1va4 s ALA 51 Cb -0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1va4 s ALA 51 CO 0.01 -0.14 -0.11 -0.59 0.00 0.00 0.00 175.76 174.93 1va4 s PHE 52 N 0.67 2.46 -0.24 0.00 -0.71 -1.24 -1.09 117.98 117.84 1va4 s PHE 52 Ca -0.05 -0.30 -0.18 0.00 -1.04 0.00 0.00 56.93 55.36 1va4 s PHE 52 Cb -0.06 -1.11 -0.03 0.00 -1.21 0.00 0.00 43.02 40.61 1va4 s PHE 52 CO -0.04 0.66 0.52 -0.51 -1.34 0.00 0.00 175.22 174.52 1va4 s ASP 53 N -3.59 6.49 0.57 1.98 1.01 0.02 -3.78 116.67 119.37 1va4 s ASP 53 Ca 0.31 0.58 -0.20 0.00 0.71 0.00 0.00 52.55 53.96 1va4 s ASP 53 Cb -0.05 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 1va4 s ASP 53 CO 0.17 -0.26 1.08 -1.14 0.21 0.00 0.00 175.17 175.24 1va4 n ARG 54 N 5.30 1.14 -1.58 8.23 0.63 -1.26 -4.42 116.66 124.68 1va4 n ARG 54 Ca -0.04 0.43 -0.49 0.00 -0.92 0.00 0.00 57.85 56.83 1va4 n ARG 54 Cb 0.50 -2.27 -0.04 0.00 0.45 0.00 0.00 32.46 31.10 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 -0.95 1.21 -0.44 -0.14 1.85 -1.26 -0.79 116.66 116.13 1va4 n ARG 55 Ca 0.13 0.43 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1va4 n ARG 55 Cb 0.46 -1.95 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 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 2.09 0.97 3.28 2.89 0.00 -0.08 -4.96 105.19 109.38 1va4 n GLY 56 Ca 0.15 0.00 -0.20 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 -2.99 1.61 0.00 1.61 0.40 0.03 -0.57 117.98 118.06 1va4 s PHE 57 Ca 0.00 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1va4 s PHE 57 Cb 0.00 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 1va4 s PHE 57 CO 0.00 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.56 1va4 n GLY 58 N 0.44 3.71 0.81 4.36 0.00 -1.26 -1.79 105.19 111.46 1va4 n GLY 58 Ca -0.15 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 2.09 -1.95 1.61 1.74 -1.26 -4.63 116.66 128.26 1va4 n ARG 59 Ca 0.00 -1.62 -0.30 0.00 -0.77 0.00 0.00 57.85 55.16 1va4 n ARG 59 Cb 0.00 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.75 6.07 1.02 0.55 0.01 -0.74 -4.58 113.70 114.28 1va4 s SER 60 Ca 0.34 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.79 1va4 s SER 60 Cb 0.20 -2.33 0.19 0.00 0.21 0.00 0.00 66.02 64.30 1va4 s SER 60 CO 0.30 -0.94 1.01 0.47 0.41 0.00 0.00 173.24 174.50 1va4 n ASP 61 N -2.75 -0.67 -3.87 2.44 8.00 -0.24 -4.54 116.55 114.92 1va4 n ASP 61 Ca 0.06 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 1va4 n ASP 61 Cb 0.55 -1.36 -0.10 0.00 -0.02 0.00 0.00 41.12 40.18 1va4 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1va4 n GLN 62 N -4.29 2.10 -2.52 -1.24 6.02 -1.26 -0.90 117.38 115.29 1va4 n GLN 62 Ca 0.08 -4.52 -0.35 0.00 -0.01 0.00 0.00 57.00 52.20 1va4 n GLN 62 Cb 0.53 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.45 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 -1.63 3.84 0.15 -1.09 0.04 -1.26 -4.95 135.00 130.10 1va4 s PRO 63 Ca 0.28 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1va4 s PRO 63 Cb -0.02 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1va4 s PRO 63 CO -0.14 -0.41 1.38 2.35 0.04 0.00 0.00 177.00 180.22 1va4 h TRP 64 N 1.72 0.66 -1.75 0.56 2.91 -2.00 -3.45 115.95 114.60 1va4 h TRP 64 Ca -0.49 -0.31 -0.48 0.00 1.13 0.00 0.00 58.89 58.75 1va4 h TRP 64 Cb 1.22 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.76 1va4 h TRP 64 CO 0.56 1.09 -0.39 0.95 -1.03 0.00 0.00 178.44 179.62 1va4 s THR 65 N -3.55 3.47 -0.04 2.65 -4.23 -1.26 -4.67 115.64 108.01 1va4 s THR 65 Ca -0.06 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1va4 s THR 65 Cb 0.10 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1va4 s THR 65 CO 0.86 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 1va4 n GLY 66 N -1.51 0.45 2.67 3.99 0.00 -1.26 -4.94 105.19 104.59 1va4 n GLY 66 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 1.15 5.85 -3.87 1.61 3.02 -1.26 -4.46 115.26 117.30 1va4 n ASN 67 Ca -0.00 -2.96 -0.09 0.00 -0.03 0.00 0.00 54.58 51.49 1va4 n ASN 67 Cb 0.02 -1.52 -0.06 0.00 -0.61 0.00 0.00 39.78 37.61 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 1.62 -0.03 0.31 6.41 1.47 -1.26 -4.56 116.67 120.63 1va4 s ASP 68 Ca 0.49 -0.72 0.06 0.00 1.18 0.00 0.00 52.55 53.56 1va4 s ASP 68 Cb 0.14 0.45 0.51 0.00 -0.34 0.00 0.00 42.92 43.68 1va4 s ASP 68 CO -0.05 -0.90 1.75 1.88 0.68 0.00 0.00 175.17 178.53 1va4 h TYR 69 N 2.49 0.34 -0.28 2.11 0.05 -1.92 -0.47 116.97 119.29 1va4 h TYR 69 Ca -0.32 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.35 1va4 h TYR 69 Cb 1.23 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 1va4 h TYR 69 CO 0.39 0.59 0.01 -0.44 -1.05 0.00 0.00 178.16 177.66 1va4 h ASP 70 N 0.26 0.48 -0.34 3.88 3.32 -1.96 0.98 116.42 123.03 1va4 h ASP 70 Ca 0.03 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1va4 h ASP 70 Cb 0.70 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1va4 h ASP 70 CO 0.05 0.65 0.09 0.74 -1.72 0.00 0.00 179.24 179.06 1va4 h THR 71 N 0.29 1.22 -0.71 0.35 2.02 -1.76 -1.56 112.91 112.75 1va4 h THR 71 Ca 0.08 -0.72 0.12 0.00 0.77 0.00 0.00 66.41 66.66 1va4 h THR 71 Cb 0.40 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 1va4 h THR 71 CO 0.01 0.24 0.30 -0.26 0.37 0.00 0.00 175.52 176.18 1va4 h PHE 72 N 0.39 0.51 -0.78 3.16 0.04 -0.94 0.21 116.94 119.54 1va4 h PHE 72 Ca 0.11 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 1va4 h PHE 72 Cb 0.28 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1va4 h PHE 72 CO 0.01 0.11 0.28 0.00 -0.60 0.00 0.00 178.31 178.12 1va4 h ALA 73 N 1.49 1.01 0.00 2.45 0.00 -0.67 -2.39 119.26 121.14 1va4 h ALA 73 Ca 0.37 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1va4 h ALA 73 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1va4 h ALA 73 CO -0.35 0.67 -0.59 -0.44 0.00 0.00 0.00 179.25 178.54 1va4 h ASP 74 N 1.14 0.00 -0.74 0.00 3.32 -0.40 -0.27 116.42 119.48 1va4 h ASP 74 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1va4 h ASP 74 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1va4 h ASP 74 CO -0.01 0.59 0.32 0.44 -1.72 0.00 0.00 179.24 178.85 1va4 h ASP 75 N 0.00 0.99 -0.28 6.45 3.32 -0.41 -0.80 116.42 125.69 1va4 h ASP 75 Ca -0.01 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1va4 h ASP 75 Cb 1.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1va4 h ASP 75 CO 0.08 0.87 -0.03 0.40 -1.72 0.00 0.00 179.24 178.84 1va4 h ILE 76 N 1.05 1.27 -0.71 0.35 2.04 -0.97 -1.55 117.51 118.99 1va4 h ILE 76 Ca 0.25 -1.01 0.14 0.00 1.00 0.00 0.00 64.86 65.24 1va4 h ILE 76 Cb 0.17 1.36 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 1va4 h ILE 76 CO -0.03 0.32 0.21 0.00 0.00 0.00 0.00 178.15 178.66 1va4 h ALA 77 N 0.81 0.93 -0.20 1.87 0.00 -0.85 -0.04 119.26 121.76 1va4 h ALA 77 Ca 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1va4 h ALA 77 Cb 0.49 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1va4 h ALA 77 CO 0.02 -0.28 -0.28 1.96 0.00 0.00 0.00 179.25 180.67 1va4 h GLN 78 N 0.33 0.39 -0.32 0.00 4.20 -0.85 -1.27 115.11 117.59 1va4 h GLN 78 Ca 0.39 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1va4 h GLN 78 Cb 0.62 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1va4 h GLN 78 CO -0.44 0.64 0.01 1.25 -0.67 0.00 0.00 178.83 179.61 1va4 h LEU 79 N 0.34 0.54 -0.92 1.46 5.85 -0.53 0.15 115.31 122.21 1va4 h LEU 79 Ca 0.05 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1va4 h LEU 79 Cb 0.67 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1va4 h LEU 79 CO 0.05 0.71 0.61 0.40 -0.34 0.00 0.00 178.44 179.87 1va4 h ILE 80 N 0.35 1.23 0.02 4.05 2.04 -0.89 -2.37 117.51 121.94 1va4 h ILE 80 Ca 0.09 -0.43 -0.24 0.00 1.00 0.00 0.00 64.86 65.29 1va4 h ILE 80 Cb 0.43 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1va4 h ILE 80 CO 0.01 0.23 -1.00 -0.33 0.00 0.00 0.00 178.15 177.06 1va4 h GLU 81 N 1.24 0.43 -0.91 2.37 5.08 -1.13 0.20 114.58 121.86 1va4 h GLU 81 Ca 0.34 -0.49 0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1va4 h GLU 81 Cb -0.13 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 1va4 h GLU 81 CO -0.08 1.15 0.53 1.25 -1.00 0.00 0.00 179.01 180.86 1va4 h HIS 82 N 0.23 0.95 -0.01 4.33 2.76 -0.54 -2.69 115.15 120.18 1va4 h HIS 82 Ca -0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1va4 h HIS 82 Cb 1.65 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1va4 h HIS 82 CO 0.07 0.30 -0.70 1.28 -1.30 0.00 0.00 177.93 177.58 1va4 n LEU 83 N -4.75 1.58 -3.70 0.26 4.77 -0.91 -5.00 117.00 109.25 1va4 n LEU 83 Ca 0.18 -0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 55.30 1va4 n LEU 83 Cb 0.40 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1va4 n LEU 83 CO 0.24 0.32 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.91 1va4 n ASP 84 N -0.66 -1.53 -4.78 -1.43 2.03 0.60 -4.94 116.55 105.85 1va4 n ASP 84 Ca 0.07 -0.80 -0.37 0.00 0.52 0.00 0.00 54.79 54.21 1va4 n ASP 84 Cb 0.41 -4.13 -0.05 0.00 -0.72 0.00 0.00 41.12 36.63 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 -6.71 4.26 0.03 -2.67 1.43 -0.59 -5.03 118.68 109.40 1va4 s LEU 85 Ca 0.06 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1va4 s LEU 85 Cb -0.03 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 1va4 s LEU 85 CO 0.81 -0.29 -0.06 -0.54 0.23 0.00 0.00 176.35 176.50 1va4 s LYS 86 N -2.22 0.43 -1.47 1.70 1.02 -1.26 -4.85 119.74 113.09 1va4 s LYS 86 Ca 0.53 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.79 1va4 s LYS 86 Cb -0.22 -0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1va4 s LYS 86 CO 0.27 0.01 0.63 0.39 -0.92 0.00 0.00 175.35 175.74 1va4 n GLU 87 N 1.56 -3.92 -2.90 1.68 -0.58 0.20 -4.56 120.64 112.12 1va4 n GLU 87 Ca -0.23 0.47 -0.40 0.00 -0.42 0.00 0.00 57.16 56.58 1va4 n GLU 87 Cb 0.55 -4.91 -0.05 0.00 -0.57 0.00 0.00 31.44 26.45 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 -3.67 4.44 -0.34 2.62 0.11 0.23 -4.33 120.40 119.46 1va4 s VAL 88 Ca 0.25 1.81 -0.14 0.00 -2.93 0.00 0.00 61.98 60.98 1va4 s VAL 88 Cb -0.13 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.51 1va4 s VAL 88 CO 0.87 0.44 0.28 0.28 -3.33 0.00 0.00 175.10 173.64 1va4 s THR 89 N -0.66 5.25 0.02 5.04 -1.32 -0.63 -0.33 115.64 123.02 1va4 s THR 89 Ca 0.39 -0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.50 1va4 s THR 89 Cb -0.23 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 66.96 1va4 s THR 89 CO 0.27 -0.04 0.68 -0.76 -2.21 0.00 0.00 174.62 172.56 1va4 s LEU 90 N 1.81 4.44 -0.11 9.08 1.43 -0.50 -1.24 118.68 133.59 1va4 s LEU 90 Ca 0.08 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1va4 s LEU 90 Cb -0.17 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.00 1va4 s LEU 90 CO 0.11 0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 176.00 1va4 s VAL 91 N -0.15 0.93 -0.06 -1.59 1.01 0.63 0.09 120.40 121.27 1va4 s VAL 91 Ca 0.35 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1va4 s VAL 91 Cb -0.19 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1va4 s VAL 91 CO 0.20 0.33 -0.24 -0.83 0.00 0.00 0.00 175.10 174.56 1va4 s GLY 92 N 1.74 1.26 -0.11 4.51 0.00 -0.52 -0.04 107.32 114.16 1va4 s GLY 92 Ca 0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1va4 s GLY 92 CO -0.08 -0.56 -0.05 -0.12 0.00 0.00 0.00 173.10 172.30 1va4 s PHE 93 N -0.05 3.00 0.00 1.90 5.36 -0.53 -1.09 117.98 126.58 1va4 s PHE 93 Ca -0.06 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 1va4 s PHE 93 Cb -0.14 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 1va4 s PHE 93 CO 0.04 0.15 0.00 0.45 -1.46 0.00 0.00 175.22 174.41 1va4 n SER 94 N 2.89 0.00 0.30 6.13 2.88 -0.18 -0.28 113.62 125.37 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 0.97 0.00 -0.75 0.00 0.00 64.21 64.96 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 -1.12 114.93 110.51 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 0.03 0.00 0.41 -0.00 0.00 0.00 176.91 177.35 1va4 n GLY 96 N -0.92 -1.21 0.25 -3.00 0.00 0.62 -1.43 105.19 99.50 1va4 n GLY 96 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 3.94 0.00 1.28 -0.02 0.00 -1.27 -3.18 103.07 103.82 1va4 h GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1va4 h GLY 97 CO 0.00 0.00 -1.24 -1.33 0.00 0.00 0.00 176.54 173.97 1va4 h GLY 98 N 0.20 0.67 2.00 4.60 0.00 -1.42 -2.48 103.07 106.64 1va4 h GLY 98 Ca -0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 47.33 45.78 1va4 h GLY 98 CO 0.01 1.24 -0.71 1.29 0.00 0.00 0.00 176.54 178.37 1va4 h ASP 99 N 0.26 0.00 -0.04 0.19 3.04 -1.63 -0.66 116.42 117.58 1va4 h ASP 99 Ca -0.18 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.41 1va4 h ASP 99 Cb 1.91 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.21 1va4 h ASP 99 CO 0.23 0.71 -0.68 -0.37 -2.04 0.00 0.00 179.24 177.09 1va4 h VAL 100 N 0.00 1.31 -0.52 4.15 -1.51 -1.61 -0.55 116.25 117.51 1va4 h VAL 100 Ca -0.01 -1.94 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 1va4 h VAL 100 Cb 1.37 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 32.41 1va4 h VAL 100 CO 0.09 0.61 0.24 0.00 -1.23 0.00 0.00 177.57 177.28 1va4 h ALA 101 N 0.75 0.67 0.00 5.19 0.00 -1.38 -2.80 119.26 121.69 1va4 h ALA 101 Ca -0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1va4 h ALA 101 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1va4 h ALA 101 CO 0.14 0.24 -0.38 -0.09 0.00 0.00 0.00 179.25 179.15 1va4 h ARG 102 N 0.69 0.00 -0.11 0.00 9.65 -1.09 -1.55 114.38 121.97 1va4 h ARG 102 Ca 0.18 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1va4 h ARG 102 Cb 0.13 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1va4 h ARG 102 CO -0.02 0.38 0.06 -0.92 2.80 0.00 0.00 179.97 182.27 1va4 h TYR 103 N 0.00 0.16 -0.61 2.20 3.20 -0.93 -0.39 116.97 120.60 1va4 h TYR 103 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1va4 h TYR 103 Cb 0.87 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1va4 h TYR 103 CO 0.00 0.18 0.35 0.82 -1.64 0.00 0.00 178.16 177.86 1va4 h ILE 104 N 0.09 1.19 -0.80 1.81 2.04 -1.23 0.22 117.51 120.84 1va4 h ILE 104 Ca 0.04 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1va4 h ILE 104 Cb 0.07 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1va4 h ILE 104 CO -0.01 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.81 1va4 h ALA 105 N 1.17 1.02 0.00 1.87 0.00 -1.12 0.26 119.26 122.46 1va4 h ALA 105 Ca 0.22 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1va4 h ALA 105 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1va4 h ALA 105 CO -0.04 0.51 -1.47 0.00 0.00 0.00 0.00 179.25 178.25 1va4 h ARG 106 N 1.10 0.00 -0.00 0.00 3.08 -0.86 -3.40 114.38 114.29 1va4 h ARG 106 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1va4 h ARG 106 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1va4 h ARG 106 CO -0.05 0.66 -0.15 0.72 -1.07 0.00 0.00 179.97 180.08 1va4 n HIS 107 N -3.15 0.00 0.00 3.04 8.25 0.75 -5.09 115.22 119.03 1va4 n HIS 107 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1va4 n HIS 107 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 0.87 -1.68 1.15 -1.41 0.00 0.07 -4.74 105.19 99.45 1va4 n GLY 108 Ca 0.01 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.04 4.23 -0.18 1.61 3.41 -1.26 -4.59 113.62 114.80 1va4 n SER 109 Ca 0.00 -2.74 0.06 0.00 -0.26 0.00 0.00 58.87 55.93 1va4 n SER 109 Cb 0.00 -0.53 0.35 0.00 -0.26 0.00 0.00 64.21 63.78 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 2.63 1.70 -0.13 7.33 0.00 -1.97 -1.34 119.26 127.48 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 1.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1va4 h ALA 110 CO 0.24 0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.21 1va4 n ARG 111 N -4.48 1.81 -4.34 0.00 1.74 -1.26 -4.70 116.66 105.43 1va4 n ARG 111 Ca 0.10 -1.21 -0.34 0.00 -0.77 0.00 0.00 57.85 55.64 1va4 n ARG 111 Cb 0.22 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.85 3.82 -0.12 1.55 1.01 -0.51 -0.60 120.40 123.71 1va4 s VAL 112 Ca 0.34 -0.38 0.21 0.00 0.00 0.00 0.00 61.98 62.15 1va4 s VAL 112 Cb 0.19 -2.68 -0.22 0.00 0.00 0.00 0.00 36.38 33.67 1va4 s VAL 112 CO 0.29 0.48 0.60 0.00 0.00 0.00 0.00 175.10 176.47 1va4 n ALA 113 N 3.73 2.39 -3.61 5.51 0.00 0.56 -4.78 120.51 124.31 1va4 n ALA 113 Ca -0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 1va4 n ALA 113 Cb 0.52 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 1va4 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1va4 s GLY 114 N -4.68 -0.35 -0.00 0.00 0.00 -1.18 -4.30 107.32 96.80 1va4 s GLY 114 Ca -0.06 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1va4 s GLY 114 CO 0.85 0.32 0.00 -2.27 0.00 0.00 0.00 173.10 172.01 1va4 s LEU 115 N -2.58 1.83 -0.07 0.66 2.96 -0.31 -1.41 118.68 119.77 1va4 s LEU 115 Ca 0.11 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1va4 s LEU 115 Cb 0.01 -0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.68 1va4 s LEU 115 CO -0.04 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.13 1va4 s VAL 116 N 0.19 1.32 -0.27 1.68 1.01 0.11 -1.18 120.40 123.25 1va4 s VAL 116 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1va4 s VAL 116 Cb -0.03 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.23 1va4 s VAL 116 CO -0.01 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 1va4 s LEU 117 N 0.58 3.65 -0.28 3.92 1.43 -0.13 -1.44 118.68 126.41 1va4 s LEU 117 Ca -0.15 -1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 51.43 1va4 s LEU 117 Cb -0.16 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1va4 s LEU 117 CO 0.05 -0.22 0.06 -0.76 0.23 0.00 0.00 176.35 175.71 1va4 s LEU 118 N 1.10 3.72 -1.59 1.79 2.01 -0.25 -1.31 118.68 124.15 1va4 s LEU 118 Ca -0.07 -0.69 -0.17 0.00 0.01 0.00 0.00 54.13 53.22 1va4 s LEU 118 Cb -0.20 -1.85 0.14 0.00 0.01 0.00 0.00 46.19 44.29 1va4 s LEU 118 CO -0.05 -0.17 0.72 0.61 1.01 0.00 0.00 176.35 178.47 1va4 n GLY 119 N 4.84 -0.46 3.85 -3.19 0.00 -0.12 -1.01 105.19 109.12 1va4 n GLY 119 Ca -0.15 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.18 3.29 -0.82 4.61 0.00 -1.26 -3.12 121.76 121.28 1va4 s ALA 120 Ca 0.67 0.01 0.20 0.00 0.00 0.00 0.00 51.96 52.85 1va4 s ALA 120 Cb -0.37 -2.80 0.83 0.00 0.00 0.00 0.00 23.12 20.79 1va4 s ALA 120 CO 0.83 0.20 1.63 1.33 0.00 0.00 0.00 175.76 179.75 1va4 n VAL 121 N -0.68 0.77 -1.93 0.00 0.24 -1.02 -4.27 118.33 111.45 1va4 n VAL 121 Ca 0.04 0.16 -0.37 0.00 -2.04 0.00 0.00 64.34 62.12 1va4 n VAL 121 Cb 0.53 -0.94 0.03 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.10 2.40 -1.12 3.34 -4.23 -1.26 -2.33 115.64 109.33 1va4 s THR 122 Ca 0.07 0.28 0.26 0.00 -1.18 0.00 0.00 61.69 61.13 1va4 s THR 122 Cb 0.11 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.92 1va4 s THR 122 CO 0.37 -0.02 1.56 -0.81 -0.54 0.00 0.00 174.62 175.17 1va4 n PRO 123 N -1.15 0.13 -3.64 3.99 -0.04 -1.26 -3.67 135.00 129.37 1va4 n PRO 123 Ca 0.11 -0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1va4 n PRO 123 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.91 -0.53 -0.05 1.53 2.96 -0.99 -0.47 118.68 118.21 1va4 s LEU 124 Ca 0.14 0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 54.93 1va4 s LEU 124 Cb 0.18 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.80 1va4 s LEU 124 CO 0.63 -0.16 -0.17 0.33 -1.32 0.00 0.00 176.35 175.66 1va4 n PHE 125 N 2.72 0.00 -1.75 5.38 -0.00 -1.22 -4.65 117.46 117.94 1va4 n PHE 125 Ca -0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.00 1va4 n PHE 125 Cb 0.56 -0.25 0.03 0.00 -0.00 0.00 0.00 39.48 39.83 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 -4.27 1.66 0.43 7.13 0.00 -0.97 -1.06 107.32 110.22 1va4 s GLY 126 Ca -0.14 -0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.24 1va4 s GLY 126 CO 0.21 0.23 1.46 1.20 0.00 0.00 0.00 173.10 176.20 1va4 s GLN 127 N -5.16 3.82 0.31 2.90 -0.21 -0.17 -4.44 119.66 116.71 1va4 s GLN 127 Ca 0.57 2.49 0.03 0.00 0.02 0.00 0.00 55.36 58.47 1va4 s GLN 127 Cb -0.12 -2.76 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 1va4 s GLN 127 CO 0.54 -0.73 0.06 0.15 -2.12 0.00 0.00 175.29 173.19 1va4 s LYS 128 N -2.34 1.59 0.29 2.91 -0.14 -1.01 -4.89 119.74 116.16 1va4 s LYS 128 Ca 0.58 -1.87 0.02 0.00 -1.36 0.00 0.00 55.97 53.34 1va4 s LYS 128 Cb -0.45 -0.73 0.58 0.00 -1.68 0.00 0.00 37.83 35.55 1va4 s LYS 128 CO 0.59 -0.21 1.85 -1.35 -0.76 0.00 0.00 175.35 175.47 1va4 h PRO 129 N 2.19 0.95 -0.55 -1.68 0.11 -2.02 0.14 132.00 131.15 1va4 h PRO 129 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1va4 h PRO 129 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1va4 h PRO 129 CO 0.68 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.69 1va4 n ASP 130 N -4.59 2.98 -3.16 -2.05 5.75 -1.26 -4.41 116.55 109.82 1va4 n ASP 130 Ca 0.18 -2.13 -0.17 0.00 -0.01 0.00 0.00 54.79 52.66 1va4 n ASP 130 Cb 0.35 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 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 0.85 -0.01 0.29 2.11 9.36 0.50 -4.92 117.16 125.33 1va4 n TYR 131 Ca 0.17 -3.70 0.15 0.00 3.32 0.00 0.00 57.90 57.84 1va4 n TYR 131 Cb 0.52 -0.29 0.72 0.00 -0.63 0.00 0.00 39.34 39.66 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 3.00 0.00 0.00 2.98 0.13 -1.74 -1.40 132.00 134.97 1va4 h PRO 132 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 1va4 n GLN 133 N -2.62 0.08 -0.84 0.86 0.00 -1.26 -4.83 117.38 108.78 1va4 n GLN 133 Ca -0.00 0.34 -0.29 0.00 0.00 0.00 0.00 57.00 57.05 1va4 n GLN 133 Cb 0.16 -1.67 0.23 0.00 0.00 0.00 0.00 30.24 28.96 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 -3.24 1.53 -0.03 2.61 0.00 -0.56 -4.96 107.32 102.67 1va4 s GLY 134 Ca 0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 1va4 s GLY 134 CO 0.31 0.27 1.20 0.14 0.00 0.00 0.00 173.10 175.02 1va4 s VAL 135 N -2.72 4.23 0.33 1.40 1.01 -0.23 -4.28 120.40 120.15 1va4 s VAL 135 Ca 0.68 1.57 -0.27 0.00 0.00 0.00 0.00 61.98 63.95 1va4 s VAL 135 Cb -0.18 -4.01 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1va4 s VAL 135 CO 0.60 0.02 1.14 -2.65 0.00 0.00 0.00 175.10 174.20 1va4 n PRO 136 N 4.95 1.70 0.28 2.72 -0.02 -1.26 -1.00 135.00 142.37 1va4 n PRO 136 Ca 0.10 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.34 1va4 n PRO 136 Cb 0.46 -2.09 0.75 0.00 -0.02 0.00 0.00 33.50 32.61 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 2.17 0.00 -1.72 2.45 3.38 -1.93 -2.25 115.31 117.41 1va4 h LEU 137 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1va4 h LEU 137 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1va4 h LEU 137 CO 0.61 0.07 0.12 -0.78 0.09 0.00 0.00 178.44 178.55 1va4 h ASP 138 N 0.00 0.27 -0.73 -0.43 3.58 -1.99 0.93 116.42 118.05 1va4 h ASP 138 Ca -0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1va4 h ASP 138 Cb 0.42 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1va4 h ASP 138 CO 0.01 0.22 0.45 0.58 -2.88 0.00 0.00 179.24 177.62 1va4 h VAL 139 N 0.31 1.20 -0.09 2.25 2.07 -1.76 -1.26 116.25 118.97 1va4 h VAL 139 Ca 0.08 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 66.94 1va4 h VAL 139 Cb 0.02 0.17 0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1va4 h VAL 139 CO -0.01 0.21 -0.90 -0.26 0.02 0.00 0.00 177.57 176.62 1va4 h PHE 140 N 0.99 1.06 -0.80 1.57 0.04 -1.45 -2.08 116.94 116.27 1va4 h PHE 140 Ca 0.26 -0.52 0.11 0.00 2.80 0.00 0.00 57.97 60.63 1va4 h PHE 140 Cb -0.06 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 37.87 1va4 h PHE 140 CO -0.01 1.35 0.42 0.00 -0.60 0.00 0.00 178.31 179.47 1va4 h ALA 141 N 0.49 1.16 -0.51 2.45 0.00 -0.70 -1.43 119.26 120.71 1va4 h ALA 141 Ca -0.09 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1va4 h ALA 141 Cb 1.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1va4 h ALA 141 CO 0.18 -0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.52 1va4 h ARG 142 N 0.68 0.84 -0.34 0.00 3.08 -1.03 -1.30 114.38 116.29 1va4 h ARG 142 Ca 0.41 -0.21 0.08 0.00 0.07 0.00 0.00 59.98 60.32 1va4 h ARG 142 Cb 0.47 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 1va4 h ARG 142 CO -0.30 0.81 -0.21 0.74 -1.07 0.00 0.00 179.97 179.95 1va4 h PHE 143 N 0.72 -0.53 -0.78 3.04 -1.00 -0.81 -1.64 116.94 115.94 1va4 h PHE 143 Ca 0.16 0.04 0.03 0.00 2.81 0.00 0.00 57.97 61.01 1va4 h PHE 143 Cb 0.37 0.29 -0.05 0.00 3.61 0.00 0.00 35.95 40.17 1va4 h PHE 143 CO 0.03 -0.29 0.50 0.87 -1.61 0.00 0.00 178.31 177.81 1va4 h LYS 144 N -0.16 0.94 -0.42 1.51 1.57 -0.99 0.75 116.57 119.76 1va4 h LYS 144 Ca 0.17 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1va4 h LYS 144 Cb 0.43 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1va4 h LYS 144 CO -0.44 0.62 0.23 1.15 -0.57 0.00 0.00 179.45 180.44 1va4 h THR 145 N 0.97 1.00 -0.33 -0.16 2.02 -0.91 -0.50 112.91 114.99 1va4 h THR 145 Ca 0.31 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 1va4 h THR 145 Cb 0.01 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1va4 h THR 145 CO -0.11 0.08 -0.19 -0.33 0.37 0.00 0.00 175.52 175.34 1va4 h GLU 146 N 0.46 0.71 -0.74 6.66 5.08 -0.90 -2.90 114.58 122.96 1va4 h GLU 146 Ca 0.18 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1va4 h GLU 146 Cb 0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1va4 h GLU 146 CO -0.11 0.93 0.48 -0.07 -1.00 0.00 0.00 179.01 179.25 1va4 h LEU 147 N 0.48 0.68 -0.36 1.33 3.38 -0.63 0.18 115.31 120.37 1va4 h LEU 147 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1va4 h LEU 147 Cb 0.74 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1va4 h LEU 147 CO 0.05 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1va4 n LEU 148 N -4.48 0.56 -0.13 1.67 4.77 -0.22 -2.78 117.00 116.39 1va4 n LEU 148 Ca 0.11 -0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 1va4 n LEU 148 Cb 0.22 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1va4 n LEU 148 CO 0.34 0.10 -1.34 0.29 -1.33 0.00 0.00 177.39 175.45 1va4 n LYS 149 N -0.55 0.56 -3.12 3.23 5.02 -0.38 -4.97 118.16 117.95 1va4 n LYS 149 Ca 0.22 0.24 -0.08 0.00 -2.02 0.00 0.00 58.31 56.67 1va4 n LYS 149 Cb 0.20 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1va4 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1va4 s ASP 150 N -7.24 -0.55 0.40 4.39 -1.08 -0.09 -5.00 116.67 107.49 1va4 s ASP 150 Ca -0.36 -1.55 0.13 0.00 -0.52 0.00 0.00 52.55 50.25 1va4 s ASP 150 Cb 0.13 1.35 0.83 0.00 -1.46 0.00 0.00 42.92 43.77 1va4 s ASP 150 CO 0.46 -0.15 1.90 0.08 0.52 0.00 0.00 175.17 177.98 1va4 h ARG 151 N 6.19 0.03 -0.29 4.34 0.11 -1.69 -2.32 114.38 120.76 1va4 h ARG 151 Ca 0.08 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 1va4 h ARG 151 Cb 1.10 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 1va4 h ARG 151 CO 0.12 0.31 0.16 0.00 0.10 0.00 0.00 179.97 180.66 1va4 h ALA 152 N 1.70 0.37 0.00 0.08 0.00 -1.94 -0.72 119.26 118.74 1va4 h ALA 152 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1va4 h ALA 152 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1va4 h ALA 152 CO 0.04 -0.11 -0.85 0.37 0.00 0.00 0.00 179.25 178.70 1va4 h GLN 153 N 0.35 0.14 -0.29 0.00 5.75 -1.96 -2.46 115.11 116.64 1va4 h GLN 153 Ca 0.10 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1va4 h GLN 153 Cb 0.06 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1va4 h GLN 153 CO -0.02 0.91 0.08 0.35 -2.65 0.00 0.00 178.83 177.50 1va4 h PHE 154 N 0.08 0.13 -0.37 3.99 3.57 -1.08 0.41 116.94 123.67 1va4 h PHE 154 Ca -0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1va4 h PHE 154 Cb 1.48 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1va4 h PHE 154 CO 0.02 0.05 0.23 0.82 -2.23 0.00 0.00 178.31 177.20 1va4 h ILE 155 N 0.19 1.07 -0.38 1.41 2.04 -0.94 0.19 117.51 121.08 1va4 h ILE 155 Ca 0.13 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1va4 h ILE 155 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1va4 h ILE 155 CO -0.15 0.09 0.21 0.28 0.00 0.00 0.00 178.15 178.57 1va4 h SER 156 N 0.47 0.33 0.29 1.72 0.02 -1.11 -2.24 113.55 113.02 1va4 h SER 156 Ca 0.14 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1va4 h SER 156 Cb -0.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1va4 h SER 156 CO -0.05 0.24 -0.29 0.44 -1.14 0.00 0.00 176.83 176.03 1va4 h ASP 157 N 0.43 0.01 0.75 3.07 3.32 -0.64 -2.79 116.42 120.56 1va4 h ASP 157 Ca 0.16 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1va4 h ASP 157 Cb 0.03 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1va4 h ASP 157 CO -0.09 0.29 -0.15 0.15 -1.72 0.00 0.00 179.24 177.72 1va4 h PHE 158 N 0.01 0.00 -0.97 4.55 3.04 -0.35 -3.16 116.94 120.05 1va4 h PHE 158 Ca -0.00 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 1va4 h PHE 158 Cb 0.51 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.95 1va4 h PHE 158 CO 0.00 0.15 0.62 -0.91 -2.02 0.00 0.00 178.31 176.15 1va4 h ASN 159 N 0.00 0.96 0.40 0.41 2.35 -1.25 -1.66 115.58 116.79 1va4 h ASN 159 Ca -0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1va4 h ASN 159 Cb 0.57 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1va4 h ASN 159 CO 0.02 0.58 -0.19 0.00 -1.65 0.00 0.00 177.43 176.18 1va4 h ALA 160 N 1.47 -0.54 0.00 -0.83 0.00 -1.75 -1.57 119.26 116.04 1va4 h ALA 160 Ca 0.44 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1va4 h ALA 160 Cb 0.28 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1va4 h ALA 160 CO -0.21 -0.73 -0.46 -1.00 0.00 0.00 0.00 179.25 176.85 1va4 h PRO 161 N -0.69 0.00 -0.12 0.00 0.13 -1.75 -1.26 132.00 128.30 1va4 h PRO 161 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1va4 h PRO 161 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1va4 h PRO 161 CO 0.09 0.46 0.07 0.35 -0.23 0.00 0.00 178.00 178.74 1va4 h PHE 162 N 0.00 0.17 -0.00 1.56 3.04 -1.18 -3.15 116.94 117.37 1va4 h PHE 162 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1va4 h PHE 162 Cb 0.91 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1va4 h PHE 162 CO 0.00 0.17 -0.39 0.66 -2.02 0.00 0.00 178.31 176.73 1va4 n TYR 163 N -4.96 0.00 -1.18 0.41 4.01 -0.60 -0.16 117.16 114.68 1va4 n TYR 163 Ca -0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.66 1va4 n TYR 163 Cb 0.06 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 38.79 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 1.49 0.59 0.37 2.72 0.00 -0.59 -4.68 105.19 105.09 1va4 n GLY 164 Ca 0.06 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 0.82 0.00 -0.61 1.08 -1.46 0.24 117.51 117.59 1va4 h ILE 165 Ca -0.06 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1va4 h ILE 165 Cb 0.28 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 1va4 h ILE 165 CO 0.09 0.14 0.00 -0.46 -0.69 0.00 0.00 178.15 177.23 1va4 n ASN 166 N -4.61 0.00 -2.56 1.72 6.94 -1.25 -3.72 115.26 111.77 1va4 n ASN 166 Ca 0.19 -0.57 -0.08 0.00 -0.02 0.00 0.00 54.58 54.10 1va4 n ASN 166 Cb 0.47 -0.07 0.04 0.00 -2.36 0.00 0.00 39.78 37.86 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 -1.07 2.37 0.00 -3.83 4.76 0.80 -5.01 118.16 116.17 1va4 n LYS 167 Ca 0.16 -3.73 0.00 0.00 -2.87 0.00 0.00 58.31 51.87 1va4 n LYS 167 Cb 0.11 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 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 -0.63 1.74 3.82 0.72 0.00 -1.13 -5.02 105.19 104.69 1va4 n GLY 168 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.52 3.62 -0.10 1.61 -1.52 -0.83 -5.01 119.66 116.91 1va4 s GLN 169 Ca 0.00 1.09 0.02 0.00 -1.95 0.00 0.00 55.36 54.52 1va4 s GLN 169 Cb 0.00 -2.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 1va4 s GLN 169 CO 0.00 -0.55 -0.16 0.08 -0.25 0.00 0.00 175.29 174.41 1va4 s VAL 170 N -2.52 1.53 -0.01 1.09 1.01 -1.26 -4.27 120.40 115.97 1va4 s VAL 170 Ca 0.61 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1va4 s VAL 170 Cb -0.13 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1va4 s VAL 170 CO 0.34 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 175.16 1va4 s VAL 171 N 0.83 0.34 0.91 2.92 1.01 -1.26 -4.97 120.40 120.18 1va4 s VAL 171 Ca -0.10 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1va4 s VAL 171 Cb -0.16 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.04 1va4 s VAL 171 CO 0.01 0.12 1.09 -0.94 0.00 0.00 0.00 175.10 175.38 1va4 s SER 172 N 0.16 3.31 0.35 3.32 1.04 -1.26 -4.89 113.70 115.72 1va4 s SER 172 Ca -0.01 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.10 1va4 s SER 172 Cb -0.05 -2.30 0.63 0.00 0.10 0.00 0.00 66.02 64.41 1va4 s SER 172 CO -0.00 -2.77 1.93 -0.61 0.98 0.00 0.00 173.24 172.77 1va4 h GLN 173 N -1.64 0.63 -0.21 4.02 5.75 -2.01 -2.71 115.11 118.94 1va4 h GLN 173 Ca -0.49 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1va4 h GLN 173 Cb 1.28 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 1va4 h GLN 173 CO 0.52 0.54 0.04 0.78 -2.65 0.00 0.00 178.83 178.05 1va4 h GLY 174 N 0.80 0.23 1.01 2.39 0.00 -1.99 -0.21 103.07 105.30 1va4 h GLY 174 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1va4 h GLY 174 CO -0.01 -0.01 0.48 -2.08 0.00 0.00 0.00 176.54 174.92 1va4 h VAL 175 N 0.12 1.19 -0.65 4.60 2.07 -1.90 -0.04 116.25 121.65 1va4 h VAL 175 Ca 0.10 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1va4 h VAL 175 Cb 0.10 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1va4 h VAL 175 CO -0.13 0.19 0.10 1.56 0.02 0.00 0.00 177.57 179.31 1va4 h GLN 176 N 1.00 1.06 -0.17 1.57 4.20 -1.14 -0.52 115.11 121.10 1va4 h GLN 176 Ca 0.27 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1va4 h GLN 176 Cb -0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1va4 h GLN 176 CO -0.06 0.97 0.09 1.15 -0.67 0.00 0.00 178.83 180.32 1va4 h THR 177 N 0.99 1.11 -0.84 -0.54 2.02 -0.78 -2.30 112.91 112.58 1va4 h THR 177 Ca 0.20 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1va4 h THR 177 Cb 0.43 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1va4 h THR 177 CO 0.01 0.11 0.49 -0.61 0.37 0.00 0.00 175.52 175.89 1va4 h GLN 178 N 0.17 1.15 -0.02 6.66 4.15 -0.81 -0.33 115.11 126.06 1va4 h GLN 178 Ca 0.06 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.39 1va4 h GLN 178 Cb 0.09 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1va4 h GLN 178 CO -0.01 0.82 -0.08 1.15 -1.93 0.00 0.00 178.83 178.78 1va4 h THR 179 N 1.15 0.78 -0.56 2.39 2.02 -1.03 -0.70 112.91 116.96 1va4 h THR 179 Ca 0.30 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 1va4 h THR 179 Cb -0.02 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1va4 h THR 179 CO -0.05 0.00 0.23 0.25 0.37 0.00 0.00 175.52 176.31 1va4 h LEU 180 N -0.13 0.78 -0.27 2.58 5.85 -1.21 -1.47 115.31 121.44 1va4 h LEU 180 Ca 0.04 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1va4 h LEU 180 Cb 0.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1va4 h LEU 180 CO -0.10 0.74 0.07 -0.61 -0.34 0.00 0.00 178.44 178.19 1va4 h GLN 181 N 0.77 0.17 -0.42 1.25 4.15 -0.84 -0.05 115.11 120.14 1va4 h GLN 181 Ca 0.19 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 1va4 h GLN 181 Cb 0.20 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1va4 h GLN 181 CO -0.02 0.11 0.06 0.82 -1.93 0.00 0.00 178.83 177.88 1va4 h ILE 182 N 0.17 1.25 -0.39 2.39 2.04 -1.04 -2.94 117.51 118.99 1va4 h ILE 182 Ca 0.13 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1va4 h ILE 182 Cb 0.12 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1va4 h ILE 182 CO -0.16 0.31 0.14 0.00 0.00 0.00 0.00 178.15 178.44 1va4 h ALA 183 N 0.93 1.52 0.00 1.87 0.00 -0.82 -2.21 119.26 120.55 1va4 h ALA 183 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1va4 h ALA 183 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1va4 h ALA 183 CO 0.01 0.37 -0.11 -0.07 0.00 0.00 0.00 179.25 179.45 1va4 h LEU 184 N 0.55 0.00 -1.81 0.00 3.38 -0.84 -2.54 115.31 114.05 1va4 h LEU 184 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1va4 h LEU 184 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1va4 h LEU 184 CO -0.01 0.11 -0.11 -0.07 0.09 0.00 0.00 178.44 178.45 1va4 h LEU 185 N 0.00 0.00-10.27 1.67 3.38 -1.33 -3.45 115.31 105.31 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 0.40 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.29 1va4 h LEU 185 CO 0.01 0.11 0.32 0.00 0.09 0.00 0.00 178.44 178.98 1va4 s ALA 186 N -4.75 2.18 0.17 1.53 0.00 -0.96 -4.56 121.76 115.37 1va4 s ALA 186 Ca -0.04 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1va4 s ALA 186 Cb 0.16 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1va4 s ALA 186 CO 0.67 -1.81 1.33 0.45 0.00 0.00 0.00 175.76 176.41 1va4 s SER 187 N -2.95 6.88 0.22 0.00 0.15 0.27 -4.96 113.70 113.31 1va4 s SER 187 Ca 0.65 2.36 -0.08 0.00 0.70 0.00 0.00 55.95 59.58 1va4 s SER 187 Cb -0.20 -2.60 0.35 0.00 -1.71 0.00 0.00 66.02 61.86 1va4 s SER 187 CO 0.52 -0.57 1.72 0.25 1.20 0.00 0.00 173.24 176.36 1va4 h LEU 188 N 5.90 0.13 -0.26 3.45 5.85 -1.94 -1.47 115.31 126.97 1va4 h LEU 188 Ca -0.44 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 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 0.80 0.06 0.11 0.50 -0.34 0.00 0.00 178.44 179.57 1va4 h LYS 189 N 0.35 0.38 -0.62 1.25 1.63 -1.96 -1.93 116.57 115.67 1va4 h LYS 189 Ca 0.35 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 1va4 h LYS 189 Cb 0.52 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 1va4 h LYS 189 CO -0.39 0.41 0.24 0.00 -3.45 0.00 0.00 179.45 176.26 1va4 h ALA 190 N 0.95 0.81 -0.37 5.00 0.00 -1.83 0.62 119.26 124.44 1va4 h ALA 190 Ca 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1va4 h ALA 190 Cb 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1va4 h ALA 190 CO -0.01 0.44 0.09 1.15 0.00 0.00 0.00 179.25 180.92 1va4 h THR 191 N 0.88 0.83 -0.22 0.00 2.02 -1.05 0.49 112.91 115.86 1va4 h THR 191 Ca 0.21 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 1va4 h THR 191 Cb 0.22 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1va4 h THR 191 CO -0.01 0.04 -0.12 0.58 0.37 0.00 0.00 175.52 176.37 1va4 h VAL 192 N 0.22 1.31 -0.70 3.16 2.07 -1.25 -3.15 116.25 117.91 1va4 h VAL 192 Ca 0.18 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1va4 h VAL 192 Cb 0.19 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1va4 h VAL 192 CO -0.22 0.37 0.32 0.44 0.02 0.00 0.00 177.57 178.51 1va4 h ASP 193 N 0.17 0.91 -0.90 0.57 5.19 -0.70 -1.84 116.42 119.81 1va4 h ASP 193 Ca 0.05 -0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.44 1va4 h ASP 193 Cb 0.63 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 39.84 1va4 h ASP 193 CO 0.04 0.78 0.58 0.00 -3.12 0.00 0.00 179.24 177.52 1va4 h VAL 195 N 0.91 0.66 -0.60 0.00 2.07 -1.29 0.42 116.25 118.42 1va4 h VAL 195 Ca 0.42 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.03 1va4 h VAL 195 Cb 0.38 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1va4 h VAL 195 CO -0.18 0.00 0.22 0.74 0.02 0.00 0.00 177.57 178.37 1va4 h THR 196 N -0.21 0.76 0.02 2.57 2.02 -1.25 -0.68 112.91 116.14 1va4 h THR 196 Ca 0.06 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1va4 h THR 196 Cb 0.29 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1va4 h THR 196 CO -0.16 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.79 1va4 h ALA 197 N 1.42 -0.03 0.00 6.16 0.00 -0.67 -2.13 119.26 124.02 1va4 h ALA 197 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1va4 h ALA 197 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1va4 h ALA 197 CO -0.31 -0.40 -0.33 0.27 0.00 0.00 0.00 179.25 178.48 1va4 h PHE 198 N -0.27 0.00 -0.44 0.00 -5.15 -0.86 -2.16 116.94 108.07 1va4 h PHE 198 Ca -0.00 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.67 1va4 h PHE 198 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.41 1va4 h PHE 198 CO 0.01 0.33 -0.14 0.00 -2.00 0.00 0.00 178.31 176.51 1va4 h ALA 199 N 1.67 0.93 -0.00 12.09 0.00 -1.05 -3.39 119.26 129.52 1va4 h ALA 199 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1va4 h ALA 199 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1va4 h ALA 199 CO 0.04 0.62 -0.03 0.39 0.00 0.00 0.00 179.25 180.27 1va4 n GLU 200 N -4.15 6.00 -2.83 0.00 1.02 -0.81 -2.29 120.64 117.59 1va4 n GLU 200 Ca 0.01 -0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1va4 n GLU 200 Cb 0.39 -0.58 -0.04 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.96 4.77 -0.34 2.62 2.01 -0.82 -5.02 115.64 117.90 1va4 s THR 201 Ca 0.00 1.87 -0.13 0.00 0.31 0.00 0.00 61.69 63.74 1va4 s THR 201 Cb 0.01 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1va4 s THR 201 CO 0.03 0.26 0.27 -0.62 -0.69 0.00 0.00 174.62 173.87 1va4 s ASP 202 N 0.49 6.09 -0.07 3.53 -1.08 -1.26 -4.56 116.67 119.81 1va4 s ASP 202 Ca 0.46 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 52.30 1va4 s ASP 202 Cb -0.21 -2.15 0.63 0.00 -1.46 0.00 0.00 42.92 39.73 1va4 s ASP 202 CO 0.26 -0.26 1.54 0.49 0.52 0.00 0.00 175.17 177.72 1va4 n PHE 203 N 5.18 1.17 -0.19 -5.34 3.72 0.37 -4.57 117.46 117.80 1va4 n PHE 203 Ca -0.12 -0.58 -0.07 0.00 -0.05 0.00 0.00 57.45 56.64 1va4 n PHE 203 Cb 0.50 -0.14 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 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 3.75 0.75 -0.94 -1.08 3.08 -1.87 -2.29 114.38 115.77 1va4 h ARG 204 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1va4 h ARG 204 Cb 1.22 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 1va4 h ARG 204 CO 0.13 0.51 0.59 -1.35 -1.07 0.00 0.00 179.97 178.77 1va4 h PRO 205 N 0.76 0.97 -0.90 0.04 0.11 -1.92 -2.22 132.00 128.84 1va4 h PRO 205 Ca 0.20 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.39 1va4 h PRO 205 Cb -0.07 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 30.73 1va4 h PRO 205 CO -0.04 0.64 0.51 -0.44 -0.21 0.00 0.00 178.00 178.46 1va4 h ASP 206 N 1.00 0.70 -0.88 -2.05 5.19 -1.78 -2.59 116.42 116.00 1va4 h ASP 206 Ca 0.44 0.07 0.08 0.00 -0.62 0.00 0.00 57.03 57.00 1va4 h ASP 206 Cb 0.32 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 1va4 h ASP 206 CO -0.22 0.34 0.57 0.24 -3.12 0.00 0.00 179.24 177.05 1va4 h MET 207 N 0.78 0.91 0.00 3.56 2.86 -0.83 -0.87 114.93 121.34 1va4 h MET 207 Ca 0.47 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1va4 h MET 207 Cb 0.56 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1va4 h MET 207 CO -0.31 0.60 0.00 0.00 1.06 0.00 0.00 176.91 178.27 1va4 h ALA 208 N 1.54 1.00 0.00 6.32 0.00 -1.51 -2.69 119.26 123.92 1va4 h ALA 208 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1va4 h ALA 208 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1va4 h ALA 208 CO -0.16 0.00 -0.32 1.63 0.00 0.00 0.00 179.25 180.40 1va4 n LYS 209 N -3.08 0.00 -2.63 0.00 4.76 -0.34 -4.80 118.16 112.07 1va4 n LYS 209 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1va4 n LYS 209 Cb 0.34 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 1va4 n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1va4 s ILE 210 N -3.00 4.00 -0.36 -0.18 1.01 -1.01 -4.86 121.20 116.79 1va4 s ILE 210 Ca 0.12 0.53 0.06 0.00 0.00 0.00 0.00 60.65 61.36 1va4 s ILE 210 Cb 0.18 -4.76 0.46 0.00 0.01 0.00 0.00 42.46 38.35 1va4 s ILE 210 CO 0.64 -1.50 1.40 -0.90 0.00 0.00 0.00 174.94 174.58 1va4 n ASP 211 N 8.55 4.79 -4.15 3.58 5.75 -1.26 -4.46 116.55 129.35 1va4 n ASP 211 Ca 0.04 -3.78 -0.11 0.00 -0.01 0.00 0.00 54.79 50.93 1va4 n ASP 211 Cb 0.48 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 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 -4.31 0.67 0.31 2.12 -7.23 -1.26 -5.11 120.40 105.58 1va4 s VAL 212 Ca 0.52 -1.76 -0.28 0.00 -1.81 0.00 0.00 61.98 58.65 1va4 s VAL 212 Cb 0.43 -1.46 -0.13 0.00 0.56 0.00 0.00 36.38 35.77 1va4 s VAL 212 CO 0.01 -0.77 1.19 -2.65 -0.31 0.00 0.00 175.10 172.58 1va4 n PRO 213 N 0.27 1.80 -3.75 4.82 -0.02 -1.26 -4.79 135.00 132.07 1va4 n PRO 213 Ca -0.14 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1va4 n PRO 213 Cb 0.59 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.98 -0.05 -0.14 3.45 2.01 -1.26 -1.16 115.64 117.51 1va4 s THR 214 Ca 0.58 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 1va4 s THR 214 Cb -0.63 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1va4 s THR 214 CO 0.60 0.07 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.26 1va4 s LEU 215 N 1.13 2.69 -0.20 4.42 2.96 -0.33 -1.07 118.68 128.28 1va4 s LEU 215 Ca -0.09 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1va4 s LEU 215 Cb -0.11 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1va4 s LEU 215 CO -0.05 0.14 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 1va4 s VAL 216 N 0.48 3.75 -0.02 1.68 1.01 0.53 -0.95 120.40 126.87 1va4 s VAL 216 Ca -0.09 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1va4 s VAL 216 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1va4 s VAL 216 CO 0.04 0.43 -0.26 -0.63 0.00 0.00 0.00 175.10 174.68 1va4 s ILE 217 N 1.14 2.05 -0.13 2.22 1.01 -0.43 -0.36 121.20 126.69 1va4 s ILE 217 Ca 0.02 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.33 1va4 s ILE 217 Cb -0.14 -1.70 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1va4 s ILE 217 CO 0.01 0.56 0.55 -2.28 0.00 0.00 0.00 174.94 173.78 1va4 s HIS 218 N -0.62 -0.55 0.03 3.97 2.46 -0.87 -0.94 115.29 118.77 1va4 s HIS 218 Ca 0.10 1.18 -0.24 0.00 0.47 0.00 0.00 55.06 56.57 1va4 s HIS 218 Cb -0.10 0.24 -0.05 0.00 -0.13 0.00 0.00 32.58 32.54 1va4 s HIS 218 CO -0.01 -0.40 0.74 0.20 -2.47 0.00 0.00 174.74 172.81 1va4 s GLY 219 N -0.40 2.75 0.00 1.59 0.00 -1.26 -1.31 107.32 108.69 1va4 s GLY 219 Ca -0.05 0.24 0.19 0.00 0.00 0.00 0.00 44.72 45.09 1va4 s GLY 219 CO 0.04 1.07 1.61 2.09 0.00 0.00 0.00 173.10 177.91 1va4 n ASP 220 N 2.90 0.74 -1.36 1.64 5.68 -1.06 -2.74 116.55 122.36 1va4 n ASP 220 Ca -0.03 -1.58 0.09 0.00 -0.50 0.00 0.00 54.79 52.78 1va4 n ASP 220 Cb 0.50 -0.05 0.32 0.00 -1.14 0.00 0.00 41.12 40.75 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 0.93 2.86 3.62 6.12 0.00 -0.55 -4.75 105.19 113.41 1va4 n GLY 221 Ca 0.14 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.04 5.97 0.00 1.61 -1.08 -0.94 -4.54 116.67 116.65 1va4 s ASP 222 Ca 0.46 1.93 0.26 0.00 -0.52 0.00 0.00 52.55 54.69 1va4 s ASP 222 Cb 0.29 -2.52 0.71 0.00 -1.46 0.00 0.00 42.92 39.95 1va4 s ASP 222 CO 0.23 -1.55 1.56 0.00 0.52 0.00 0.00 175.17 175.93 1va4 n GLN 223 N 8.17 0.00 -0.11 4.34 6.02 -1.26 -4.42 117.38 130.12 1va4 n GLN 223 Ca 0.24 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.07 1va4 n GLN 223 Cb 0.44 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 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 -1.51 1.51 -3.85 5.09 2.08 -1.26 -4.88 119.36 116.53 1va4 n ILE 224 Ca 0.06 -0.04 -0.35 0.00 0.56 0.00 0.00 62.75 62.98 1va4 n ILE 224 Cb 0.34 -2.18 -0.13 0.00 -0.75 0.00 0.00 39.64 36.92 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 -2.70 3.01 -0.04 1.39 1.01 -1.26 -5.07 120.40 116.74 1va4 s VAL 225 Ca -0.31 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.31 1va4 s VAL 225 Cb 0.08 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 1va4 s VAL 225 CO 0.44 -0.61 1.78 -2.16 0.00 0.00 0.00 175.10 174.55 1va4 s PRO 226 N 1.09 4.11 0.22 2.72 0.04 -1.26 -4.80 135.00 137.12 1va4 s PRO 226 Ca 0.08 2.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 1va4 s PRO 226 Cb -0.22 -4.07 0.35 0.00 0.04 0.00 0.00 34.50 30.61 1va4 s PRO 226 CO -0.05 -0.96 1.67 0.35 0.04 0.00 0.00 177.00 178.06 1va4 h PHE 227 N 10.18 0.07 -0.18 0.56 3.04 -1.81 -2.68 116.94 126.10 1va4 h PHE 227 Ca -0.43 0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.62 1va4 h PHE 227 Cb 1.20 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1va4 h PHE 227 CO 0.92 -0.14 0.14 0.93 -2.02 0.00 0.00 178.31 178.14 1va4 h GLU 228 N 0.17 0.00 -0.21 1.11 4.39 -1.95 -1.62 114.58 116.47 1va4 h GLU 228 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1va4 h GLU 228 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1va4 h GLU 228 CO -0.52 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 177.58 1va4 n THR 229 N -4.40 0.74 0.00 1.13 -2.24 -1.05 -4.44 114.28 104.02 1va4 n THR 229 Ca 0.01 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1va4 n THR 229 Cb 0.27 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.36 0.00 -0.32 4.28 -2.24 -0.92 -4.64 114.28 110.80 1va4 n THR 230 Ca 0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 1va4 n THR 230 Cb 0.35 -0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.53 0.88 3.38 0.00 -1.60 0.13 103.07 107.39 1va4 h GLY 231 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1va4 h GLY 231 CO 0.00 0.01 0.57 1.70 0.00 0.00 0.00 176.54 178.82 1va4 h LYS 232 N 0.75 1.07 0.11 4.80 3.64 -1.57 -2.00 116.57 123.37 1va4 h LYS 232 Ca 0.49 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.52 1va4 h LYS 232 Cb 0.66 -0.24 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1va4 h LYS 232 CO -0.34 0.71 -1.20 0.28 -2.27 0.00 0.00 179.45 176.63 1va4 h VAL 233 N 1.10 1.29 -0.75 2.00 2.07 -1.23 -3.19 116.25 117.54 1va4 h VAL 233 Ca 0.35 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 1va4 h VAL 233 Cb 0.00 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1va4 h VAL 233 CO -0.12 0.74 0.46 0.00 0.02 0.00 0.00 177.57 178.68 1va4 h ALA 234 N 0.28 1.40 0.00 1.67 0.00 -0.70 -0.14 119.26 121.76 1va4 h ALA 234 Ca -0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1va4 h ALA 234 Cb 1.88 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1va4 h ALA 234 CO 0.23 0.53 -0.26 0.00 0.00 0.00 0.00 179.25 179.75 1va4 h ALA 235 N 1.48 1.34 0.17 0.00 0.00 -1.39 -1.96 119.26 118.90 1va4 h ALA 235 Ca 0.27 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1va4 h ALA 235 Cb -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1va4 h ALA 235 CO -0.05 0.33 -1.39 0.93 0.00 0.00 0.00 179.25 179.06 1va4 h GLU 236 N 0.00 0.36 0.00 0.00 4.39 -1.32 -3.38 114.58 114.63 1va4 h GLU 236 Ca -0.00 -0.62 -0.09 0.00 0.34 0.00 0.00 59.36 58.99 1va4 h GLU 236 Cb 0.54 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1va4 h GLU 236 CO 0.03 1.28 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.67 1va4 h LEU 237 N 0.10 0.00 -9.05 1.33 3.38 -0.82 -3.43 115.31 106.82 1va4 h LEU 237 Ca -0.20 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.17 1va4 h LEU 237 Cb 2.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.70 1va4 h LEU 237 CO 0.22 0.42 0.17 -0.63 0.09 0.00 0.00 178.44 178.72 1va4 s ILE 238 N -3.13 4.98 0.19 1.22 1.01 -0.76 -4.56 121.20 120.16 1va4 s ILE 238 Ca 0.03 1.20 -0.32 0.00 0.00 0.00 0.00 60.65 61.56 1va4 s ILE 238 Cb 0.08 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 1va4 s ILE 238 CO 0.72 0.05 1.68 -0.75 0.00 0.00 0.00 174.94 176.65 1va4 s LYS 239 N 2.29 4.15 0.00 2.79 2.20 -1.26 -2.24 119.74 127.68 1va4 s LYS 239 Ca 0.28 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 1va4 s LYS 239 Cb -0.16 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1va4 s LYS 239 CO 0.09 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1va4 n GLY 240 N 3.93 0.85 3.75 5.54 0.00 -1.26 -4.87 105.19 113.13 1va4 n GLY 240 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.34 2.73 -0.00 4.61 0.00 -0.95 -4.71 121.76 120.10 1va4 s ALA 241 Ca 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 1va4 s ALA 241 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1va4 s ALA 241 CO 0.00 -1.17 0.15 -2.00 0.00 0.00 0.00 175.76 172.75 1va4 s GLU 242 N -3.03 3.31 -0.06 0.00 2.12 -0.23 -4.94 118.70 115.88 1va4 s GLU 242 Ca 0.73 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.72 1va4 s GLU 242 Cb -0.34 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1va4 s GLU 242 CO 0.40 0.66 -0.23 -1.17 -0.54 0.00 0.00 175.26 174.37 1va4 s LEU 243 N -1.94 2.04 -0.10 2.70 2.96 -1.26 -0.35 118.68 122.73 1va4 s LEU 243 Ca 0.27 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1va4 s LEU 243 Cb -0.12 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1va4 s LEU 243 CO 0.18 0.22 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.71 1va4 s LYS 244 N -0.08 2.42 -0.25 1.98 1.02 0.52 -4.97 119.74 120.37 1va4 s LYS 244 Ca -0.05 -0.65 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 1va4 s LYS 244 Cb -0.14 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1va4 s LYS 244 CO 0.04 0.03 0.06 0.08 -0.92 0.00 0.00 175.35 174.64 1va4 s VAL 245 N 0.72 4.24 -0.41 3.17 1.01 -1.26 -2.06 120.40 125.81 1va4 s VAL 245 Ca -0.12 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1va4 s VAL 245 Cb -0.16 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1va4 s VAL 245 CO 0.03 0.34 0.88 -0.31 0.00 0.00 0.00 175.10 176.03 1va4 s TYR 246 N 1.60 3.02 -0.18 5.22 1.51 -0.42 -4.95 117.35 123.14 1va4 s TYR 246 Ca 0.06 0.51 -0.35 0.00 -1.01 0.00 0.00 57.07 56.28 1va4 s TYR 246 Cb -0.15 -3.70 -0.12 0.00 -0.11 0.00 0.00 41.96 37.88 1va4 s TYR 246 CO 0.03 -0.92 1.94 1.17 -1.11 0.00 0.00 175.55 176.66 1va4 n LYS 247 N 6.82 1.77 -0.96 -0.62 3.00 -1.26 -1.85 118.16 125.06 1va4 n LYS 247 Ca 0.05 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 1va4 n LYS 247 Cb 0.48 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1va4 n LYS 247 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1va4 n ASP 248 N 7.39 -4.10 -4.78 3.14 8.00 -1.26 -4.92 116.55 120.02 1va4 n ASP 248 Ca 0.27 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.44 1va4 n ASP 248 Cb 0.26 -2.18 0.01 0.00 -0.02 0.00 0.00 41.12 39.20 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 -1.52 2.65 0.70 2.24 0.00 -0.77 -4.19 121.76 120.87 1va4 s ALA 249 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1va4 s ALA 249 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 1va4 s ALA 249 CO 0.00 -0.89 0.52 -0.35 0.00 0.00 0.00 175.76 175.04 1va4 n PRO 250 N -1.77 -0.03 -0.16 0.00 -0.04 -1.26 -1.48 135.00 130.26 1va4 n PRO 250 Ca 0.10 -1.17 -0.09 0.00 -0.04 0.00 0.00 63.50 62.31 1va4 n PRO 250 Cb 0.52 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 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 -0.78 0.75 -0.28 0.54 -0.00 -1.78 -3.28 115.15 110.31 1va4 h HIS 251 Ca -0.17 -0.07 -0.22 0.00 -0.00 0.00 0.00 60.37 59.90 1va4 h HIS 251 Cb 0.57 -0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 27.68 1va4 h HIS 251 CO 0.00 0.66 -0.02 0.41 -0.00 0.00 0.00 177.93 178.99 1va4 n GLY 252 N -0.68 3.31 0.05 5.26 0.00 0.77 -4.57 105.19 109.34 1va4 n GLY 252 Ca 0.01 -1.03 0.12 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 1.60 0.42 0.29 1.61 1.16 -1.24 -2.35 117.46 118.96 1va4 n PHE 253 Ca 0.31 0.14 0.16 0.00 -1.87 0.00 0.00 57.45 56.19 1va4 n PHE 253 Cb 0.69 -0.72 0.89 0.00 -1.61 0.00 0.00 39.48 38.73 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 2.63 1.27 0.00 1.98 0.00 -1.88 0.12 119.26 123.38 1va4 h ALA 254 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1va4 h ALA 254 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 254 CO 0.00 0.06 -0.44 0.28 0.00 0.00 0.00 179.25 179.15 1va4 h VAL 255 N 0.00 0.48 0.00 0.00 2.07 -1.85 -3.30 116.25 113.65 1va4 h VAL 255 Ca -0.00 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 1va4 h VAL 255 Cb 0.17 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1va4 h VAL 255 CO 0.01 0.16 -0.32 0.71 0.02 0.00 0.00 177.57 178.15 1va4 h THR 256 N -1.00 0.77 -0.53 2.57 1.35 -1.42 -3.14 112.91 111.51 1va4 h THR 256 Ca -0.07 -1.40 -0.38 0.00 -0.55 0.00 0.00 66.41 64.01 1va4 h THR 256 Cb 0.61 1.88 -0.34 0.00 -1.73 0.00 0.00 68.15 68.58 1va4 h THR 256 CO -0.04 0.32 -0.81 1.41 -0.25 0.00 0.00 175.52 176.15 1va4 n HIS 257 N -3.48 1.89 -0.11 4.73 -0.00 0.40 -4.92 115.22 113.73 1va4 n HIS 257 Ca -0.00 -1.99 -0.05 0.00 -0.00 0.00 0.00 57.72 55.67 1va4 n HIS 257 Cb 0.49 -0.30 0.02 0.00 -0.00 0.00 0.00 29.99 30.20 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 1.96 0.38 -0.21 -1.41 0.00 -1.61 -0.40 119.26 117.97 1va4 h ALA 258 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1va4 h ALA 258 Cb 1.41 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1va4 h ALA 258 CO 0.50 -0.35 -0.06 0.37 0.00 0.00 0.00 179.25 179.71 1va4 h GLN 259 N 0.16 0.41 -0.55 0.00 4.15 -1.89 0.24 115.11 117.63 1va4 h GLN 259 Ca 0.18 -0.16 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1va4 h GLN 259 Cb 0.23 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1va4 h GLN 259 CO -0.26 0.66 0.31 0.37 -1.93 0.00 0.00 178.83 177.98 1va4 h GLN 260 N 0.13 0.60 -0.34 1.69 4.15 -1.93 -0.59 115.11 118.82 1va4 h GLN 260 Ca 0.05 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1va4 h GLN 260 Cb 0.51 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1va4 h GLN 260 CO 0.02 0.40 0.22 1.25 -1.93 0.00 0.00 178.83 178.79 1va4 h LEU 261 N 0.62 0.38 -0.51 -2.39 5.85 -0.80 -0.41 115.31 118.04 1va4 h LEU 261 Ca 0.23 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1va4 h LEU 261 Cb 0.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1va4 h LEU 261 CO -0.12 0.27 0.21 0.78 -0.34 0.00 0.00 178.44 179.25 1va4 h ASN 262 N 0.45 0.26 -0.46 1.25 2.35 -0.38 0.35 115.58 119.39 1va4 h ASN 262 Ca 0.13 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1va4 h ASN 262 Cb -0.04 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1va4 h ASN 262 CO -0.03 0.18 0.04 -0.33 -1.65 0.00 0.00 177.43 175.63 1va4 h GLU 263 N 0.42 0.80 -0.54 0.81 5.08 -0.89 -2.03 114.58 118.22 1va4 h GLU 263 Ca 0.24 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1va4 h GLU 263 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1va4 h GLU 263 CO -0.21 0.83 0.09 -0.44 -1.00 0.00 0.00 179.01 178.28 1va4 h ASP 264 N 0.65 0.81 -0.31 1.42 3.32 -0.68 -1.80 116.42 119.83 1va4 h ASP 264 Ca 0.14 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1va4 h ASP 264 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1va4 h ASP 264 CO 0.02 0.82 0.08 -0.07 -1.72 0.00 0.00 179.24 178.37 1va4 h LEU 265 N 0.82 0.47 -0.68 1.55 3.38 -0.67 -1.67 115.31 118.51 1va4 h LEU 265 Ca 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1va4 h LEU 265 Cb 0.36 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1va4 h LEU 265 CO 0.01 0.57 0.37 0.25 0.09 0.00 0.00 178.44 179.72 1va4 h LEU 266 N 0.35 0.85 -0.89 1.67 5.85 -1.25 -1.26 115.31 120.62 1va4 h LEU 266 Ca 0.10 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1va4 h LEU 266 Cb 0.28 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1va4 h LEU 266 CO -0.00 0.71 0.01 0.00 -0.34 0.00 0.00 178.44 178.82 1va4 h ALA 267 N 1.18 1.08 -0.20 1.25 0.00 -1.24 -0.80 119.26 120.53 1va4 h ALA 267 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1va4 h ALA 267 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1va4 h ALA 267 CO -0.04 0.58 0.10 0.35 0.00 0.00 0.00 179.25 180.24 1va4 h PHE 268 N 0.77 0.29 -0.34 0.00 3.57 -1.02 -1.90 116.94 118.30 1va4 h PHE 268 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1va4 h PHE 268 Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1va4 h PHE 268 CO 0.02 0.30 0.06 -0.07 -2.23 0.00 0.00 178.31 176.39 1va4 h LEU 269 N 0.20 0.46 -0.75 0.59 3.38 -0.90 -2.57 115.31 115.72 1va4 h LEU 269 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1va4 h LEU 269 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1va4 h LEU 269 CO -0.01 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1va4 n LYS 270 N -4.33 1.50 0.00 1.13 5.02 -0.33 -5.11 118.16 116.03 1va4 n LYS 270 Ca 0.02 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 1va4 n LYS 270 Cb 0.20 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1va4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77