#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 0.32 0.28 0.44 -4.23 -1.26 -0.99 115.64 110.20 1va4 s THR 2 Ca 0.00 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1va4 s THR 2 Cb 0.00 -0.41 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1va4 s THR 2 CO 0.00 -0.38 0.02 0.72 -0.54 0.00 0.00 174.62 174.44 1va4 s PHE 3 N -1.26 1.79 -0.21 3.99 -0.12 -0.60 -4.97 117.98 116.60 1va4 s PHE 3 Ca -0.11 -0.92 -0.05 0.00 -0.05 0.00 0.00 56.93 55.80 1va4 s PHE 3 Cb -0.09 -1.09 -0.02 0.00 -0.63 0.00 0.00 43.02 41.18 1va4 s PHE 3 CO -0.00 0.01 0.00 0.08 -0.05 0.00 0.00 175.22 175.26 1va4 s VAL 4 N -3.33 3.93 1.07 -2.49 1.01 -1.26 -0.27 120.40 119.05 1va4 s VAL 4 Ca 0.33 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1va4 s VAL 4 Cb 0.07 -2.78 0.22 0.00 0.00 0.00 0.00 36.38 33.89 1va4 s VAL 4 CO 0.12 0.42 1.12 0.00 0.00 0.00 0.00 175.10 176.76 1va4 s ALA 5 N 1.09 0.98 0.27 5.51 0.00 0.20 -4.89 121.76 124.92 1va4 s ALA 5 Ca 0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1va4 s ALA 5 Cb -0.14 -2.99 0.53 0.00 0.00 0.00 0.00 23.12 20.51 1va4 s ALA 5 CO 0.01 -3.05 1.80 0.87 0.00 0.00 0.00 175.76 175.39 1va4 h LYS 6 N -2.11 0.77 -0.18 0.00 1.57 -1.94 -2.05 116.57 112.64 1va4 h LYS 6 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1va4 h LYS 6 Cb 1.31 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1va4 h LYS 6 CO 0.48 0.51 0.00 -0.40 -0.57 0.00 0.00 179.45 179.47 1va4 n ASP 7 N -4.75 1.11 0.00 0.86 5.75 -1.26 -4.89 116.55 113.37 1va4 n ASP 7 Ca 0.18 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1va4 n ASP 7 Cb 0.39 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1va4 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1va4 n GLY 8 N 0.90 0.54 3.67 6.12 0.00 -0.77 -5.05 105.19 110.60 1va4 n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.25 3.82 -0.08 2.61 2.01 -1.26 -4.71 115.64 115.79 1va4 s THR 9 Ca 0.00 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1va4 s THR 9 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1va4 s THR 9 CO 0.00 -0.07 1.04 -1.58 -0.69 0.00 0.00 174.62 173.32 1va4 s GLN 10 N 3.46 4.43 -0.13 4.92 0.74 -1.26 -0.62 119.66 131.19 1va4 s GLN 10 Ca 0.65 1.46 0.02 0.00 0.05 0.00 0.00 55.36 57.54 1va4 s GLN 10 Cb -0.29 -3.53 -0.00 0.00 1.10 0.00 0.00 33.01 30.28 1va4 s GLN 10 CO 0.24 -0.31 -0.19 0.42 -0.55 0.00 0.00 175.29 174.91 1va4 s ILE 11 N 1.91 2.47 0.20 -2.34 -1.09 0.62 -1.50 121.20 121.47 1va4 s ILE 11 Ca 0.50 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.79 1va4 s ILE 11 Cb -0.20 -2.00 -0.08 0.00 -1.58 0.00 0.00 42.46 38.59 1va4 s ILE 11 CO 0.20 0.54 0.86 -0.47 -1.23 0.00 0.00 174.94 174.84 1va4 s TYR 12 N 0.52 3.94 0.11 3.97 5.04 -1.26 -1.56 117.35 128.11 1va4 s TYR 12 Ca -0.12 1.78 -0.10 0.00 -2.44 0.00 0.00 57.07 56.19 1va4 s TYR 12 Cb -0.16 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.27 1va4 s TYR 12 CO 0.05 0.48 0.25 -0.59 -1.34 0.00 0.00 175.55 174.39 1va4 s PHE 13 N -1.11 0.12 0.04 4.97 -0.71 -0.16 -0.60 117.98 120.53 1va4 s PHE 13 Ca 0.39 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.84 1va4 s PHE 13 Cb -0.25 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 1va4 s PHE 13 CO 0.29 -0.61 -0.23 0.15 -1.34 0.00 0.00 175.22 173.48 1va4 s LYS 14 N -3.87 1.94 -0.22 1.99 1.02 0.09 -1.32 119.74 119.37 1va4 s LYS 14 Ca 0.07 -1.04 -0.03 0.00 0.02 0.00 0.00 55.97 54.99 1va4 s LYS 14 Cb 0.04 -2.07 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 1va4 s LYS 14 CO -0.09 0.53 0.07 0.34 -0.92 0.00 0.00 175.35 175.27 1va4 s ASP 15 N -1.26 3.11 -0.00 2.83 -1.08 -1.26 -1.59 116.67 117.41 1va4 s ASP 15 Ca 0.13 -0.99 0.06 0.00 -0.52 0.00 0.00 52.55 51.23 1va4 s ASP 15 Cb -0.10 -0.56 -0.03 0.00 -1.46 0.00 0.00 42.92 40.77 1va4 s ASP 15 CO 0.03 -0.35 -0.19 0.26 0.52 0.00 0.00 175.17 175.44 1va4 s TRP 16 N 1.89 2.55 0.00 -5.34 0.51 0.73 -4.98 118.94 114.30 1va4 s TRP 16 Ca 0.02 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.74 1va4 s TRP 16 Cb -0.17 -1.52 0.00 0.00 -0.81 0.00 0.00 33.47 30.97 1va4 s TRP 16 CO -0.15 0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.86 1va4 n GLY 17 N 2.01 -2.13 3.10 0.98 0.00 -1.26 -0.91 105.19 106.98 1va4 n GLY 17 Ca -0.16 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.69 0.53 0.00 1.61 1.04 -1.24 -4.72 113.70 107.23 1va4 s SER 18 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1va4 s SER 18 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1va4 s SER 18 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1va4 n GLY 19 N 0.07 0.44 3.72 7.32 0.00 -1.26 -3.00 105.19 112.49 1va4 n GLY 19 Ca -0.13 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 1va4 n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1va4 n LYS 20 N 0.00 2.61 -2.95 1.61 5.02 -1.26 -4.08 118.16 119.12 1va4 n LYS 20 Ca 0.00 0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 1va4 n LYS 20 Cb 0.00 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.23 1va4 n LYS 20 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1va4 s PRO 21 N 0.11 4.55 -0.14 1.97 0.04 -1.26 -1.53 135.00 138.74 1va4 s PRO 21 Ca 0.69 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1va4 s PRO 21 Cb -0.53 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 30.89 1va4 s PRO 21 CO 0.43 0.50 -0.14 0.08 0.04 0.00 0.00 177.00 177.91 1va4 s VAL 22 N -1.27 1.52 -0.15 -0.36 1.01 0.68 -1.13 120.40 120.70 1va4 s VAL 22 Ca 0.39 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1va4 s VAL 22 Cb -0.22 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1va4 s VAL 22 CO 0.26 0.45 -0.19 -0.22 0.00 0.00 0.00 175.10 175.39 1va4 s LEU 23 N 1.39 2.24 -0.11 3.92 0.20 0.19 -0.31 118.68 126.19 1va4 s LEU 23 Ca 0.02 -0.57 -0.02 0.00 0.69 0.00 0.00 54.13 54.26 1va4 s LEU 23 Cb -0.13 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 1va4 s LEU 23 CO -0.08 0.07 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.64 1va4 s PHE 24 N 0.91 3.01 -0.23 5.38 0.40 0.50 -1.02 117.98 126.94 1va4 s PHE 24 Ca -0.04 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1va4 s PHE 24 Cb -0.15 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.60 1va4 s PHE 24 CO -0.03 0.20 -0.12 0.45 0.70 0.00 0.00 175.22 176.41 1va4 s SER 25 N -0.33 3.87 0.95 1.36 0.15 0.85 -3.74 113.70 116.81 1va4 s SER 25 Ca 0.05 -1.10 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 1va4 s SER 25 Cb -0.12 -1.44 0.17 0.00 -1.71 0.00 0.00 66.02 62.92 1va4 s SER 25 CO 0.02 -0.14 1.18 -1.38 1.20 0.00 0.00 173.24 174.13 1va4 s HIS 26 N 1.23 2.07 0.18 3.44 -3.43 -1.26 -1.49 115.29 116.03 1va4 s HIS 26 Ca -0.04 0.66 -0.00 0.00 -0.80 0.00 0.00 55.06 54.88 1va4 s HIS 26 Cb -0.17 -3.59 0.04 0.00 -1.43 0.00 0.00 32.58 27.43 1va4 s HIS 26 CO -0.08 -2.57 0.25 0.41 -2.00 0.00 0.00 174.74 170.76 1va4 n GLY 27 N -2.56 0.55 3.75 -1.38 0.00 -1.21 -3.09 105.19 101.25 1va4 n GLY 27 Ca 0.10 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.68 3.38 0.00 1.61 -0.00 -1.26 -3.02 118.94 118.97 1va4 s TRP 28 Ca 0.16 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 1va4 s TRP 28 Cb -0.01 -3.45 0.00 0.00 -0.00 0.00 0.00 33.47 30.01 1va4 s TRP 28 CO 0.11 -1.16 0.00 1.28 -0.00 0.00 0.00 176.95 177.18 1va4 n LEU 29 N 1.56 0.00 0.00 5.86 4.77 -1.26 -4.97 117.00 122.95 1va4 n LEU 29 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1va4 n LEU 29 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1va4 n LEU 29 CO 0.56 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.80 1va4 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.17 -3.17 117.00 119.66 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 0.31 -1.43 5.68 -1.26 -4.36 116.55 115.08 1va4 n ASP 31 Ca 0.00 -0.93 0.17 0.00 -0.50 0.00 0.00 54.79 53.53 1va4 n ASP 31 Cb 0.00 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 40.96 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 1.93 1.41 0.00 2.12 0.00 -1.91 -1.93 119.26 120.89 1va4 h ALA 32 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1va4 h ALA 32 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1va4 h ALA 32 CO 0.00 0.00 -0.01 -0.44 0.00 0.00 0.00 179.25 178.80 1va4 h ASP 33 N 0.00 0.00 -0.00 0.00 5.19 -1.95 -2.07 116.42 117.59 1va4 h ASP 33 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1va4 h ASP 33 Cb 0.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1va4 h ASP 33 CO 0.00 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 1va4 h MET 34 N 0.00 0.00 -0.13 3.56 -0.00 -1.76 -2.36 114.93 114.24 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 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1va4 h MET 34 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.82 1va4 n TRP 35 N -3.16 0.14 -0.32 -0.10 7.02 -0.78 -4.68 117.44 115.56 1va4 n TRP 35 Ca -0.03 -0.07 0.07 0.00 -1.02 0.00 0.00 57.50 56.45 1va4 n TRP 35 Cb 0.07 0.00 0.23 0.00 -2.42 0.00 0.00 31.31 29.19 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 4.47 0.77 -0.49 -0.99 4.11 -1.54 0.41 114.58 121.32 1va4 h GLU 36 Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1va4 h GLU 36 Cb 0.96 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1va4 h GLU 36 CO 0.00 0.51 -0.06 1.88 0.07 0.00 0.00 179.01 181.41 1va4 h TYR 37 N 0.79 1.00 -0.55 2.06 0.05 -1.84 -0.58 116.97 117.90 1va4 h TYR 37 Ca 0.48 -0.19 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 1va4 h TYR 37 Cb 0.58 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1va4 h TYR 37 CO -0.05 0.95 -0.02 1.96 -1.05 0.00 0.00 178.16 179.96 1va4 h GLN 38 N 0.75 0.96 -0.13 4.88 7.50 -1.67 -0.86 115.11 126.55 1va4 h GLN 38 Ca 0.13 -0.30 -0.01 0.00 0.50 0.00 0.00 58.65 58.97 1va4 h GLN 38 Cb 0.59 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 1va4 h GLN 38 CO 0.04 0.96 0.04 0.52 -1.50 0.00 0.00 178.83 178.89 1va4 h MET 39 N 0.88 0.20 -0.60 1.46 2.86 -0.89 -1.35 114.93 117.50 1va4 h MET 39 Ca 0.16 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1va4 h MET 39 Cb 0.54 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1va4 h MET 39 CO 0.03 0.34 0.31 1.49 1.06 0.00 0.00 176.91 180.13 1va4 h GLU 40 N 0.02 0.85 -0.38 1.72 4.22 -1.04 -1.07 114.58 118.90 1va4 h GLU 40 Ca 0.04 -0.11 0.04 0.00 0.08 0.00 0.00 59.36 59.41 1va4 h GLU 40 Cb 0.22 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1va4 h GLU 40 CO -0.00 0.67 0.15 -0.92 -2.18 0.00 0.00 179.01 176.73 1va4 h TYR 41 N 0.81 0.27 0.15 0.92 3.20 -1.07 -1.47 116.97 119.78 1va4 h TYR 41 Ca 0.21 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.80 1va4 h TYR 41 Cb 0.08 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.29 1va4 h TYR 41 CO -0.01 0.12 -1.35 -0.07 -1.64 0.00 0.00 178.16 175.22 1va4 h LEU 42 N 0.32 0.48 -0.66 2.82 3.38 -1.17 -3.25 115.31 117.23 1va4 h LEU 42 Ca 0.17 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1va4 h LEU 42 Cb 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1va4 h LEU 42 CO -0.16 1.43 -0.11 0.28 0.09 0.00 0.00 178.44 179.97 1va4 h SER 43 N 0.08 0.00 0.13 -0.43 0.02 -1.14 -0.28 113.55 111.93 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 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1va4 h SER 43 CO 0.20 0.11 -0.04 -1.54 -1.14 0.00 0.00 176.83 174.43 1va4 n SER 44 N -3.17 0.60 -0.81 3.07 3.41 -0.56 -3.71 113.62 112.44 1va4 n SER 44 Ca 0.02 -0.98 0.03 0.00 -0.26 0.00 0.00 58.87 57.68 1va4 n SER 44 Cb 0.47 -0.03 0.18 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.65 1.68 -0.57 4.33 1.74 -0.18 -4.99 116.66 118.03 1va4 n ARG 45 Ca 0.19 -3.31 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 1va4 n ARG 45 Cb 0.24 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.97 0.71 3.76 -0.13 0.00 -1.10 -5.01 105.19 102.45 1va4 n GLY 46 Ca 0.20 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 2.98 -0.20 1.61 2.02 -0.82 -4.33 117.35 116.61 1va4 s TYR 47 Ca 0.00 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.44 1va4 s TYR 47 Cb 0.00 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.15 1va4 s TYR 47 CO 0.00 0.55 0.28 0.50 -1.57 0.00 0.00 175.55 175.30 1va4 s ARG 48 N -3.60 4.17 -0.07 -0.62 3.52 -0.58 -3.73 118.95 118.05 1va4 s ARG 48 Ca 0.32 -0.00 0.04 0.00 -0.13 0.00 0.00 55.73 55.96 1va4 s ARG 48 Cb -0.08 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1va4 s ARG 48 CO 0.23 0.09 -0.19 0.95 -0.81 0.00 0.00 175.30 175.56 1va4 s THR 49 N 0.94 2.56 -0.04 4.11 -4.23 -0.09 -0.23 115.64 118.66 1va4 s THR 49 Ca 0.14 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1va4 s THR 49 Cb -0.14 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.73 1va4 s THR 49 CO 0.05 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.98 1va4 s ILE 50 N -0.29 0.83 -0.10 2.99 1.09 0.57 -0.19 121.20 126.11 1va4 s ILE 50 Ca 0.01 -0.34 -0.06 0.00 -1.10 0.00 0.00 60.65 59.16 1va4 s ILE 50 Cb -0.13 -0.77 0.04 0.00 -1.06 0.00 0.00 42.46 40.54 1va4 s ILE 50 CO 0.03 0.28 0.24 0.00 -0.10 0.00 0.00 174.94 175.38 1va4 s ALA 51 N 0.51 -0.56 0.26 9.38 0.00 -0.62 -0.37 121.76 130.37 1va4 s ALA 51 Ca -0.09 0.89 0.10 0.00 0.00 0.00 0.00 51.96 52.86 1va4 s ALA 51 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1va4 s ALA 51 CO 0.01 -0.17 -0.02 -0.59 0.00 0.00 0.00 175.76 174.99 1va4 s PHE 52 N 0.92 2.66 -0.32 0.00 -0.71 -1.25 -0.73 117.98 118.55 1va4 s PHE 52 Ca -0.07 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.41 1va4 s PHE 52 Cb -0.08 -1.18 -0.01 0.00 -1.21 0.00 0.00 43.02 40.54 1va4 s PHE 52 CO -0.06 0.63 0.54 -0.51 -1.34 0.00 0.00 175.22 174.48 1va4 s ASP 53 N -3.64 6.38 0.43 1.98 1.01 0.24 -3.82 116.67 119.25 1va4 s ASP 53 Ca 0.31 0.21 -0.23 0.00 0.71 0.00 0.00 52.55 53.55 1va4 s ASP 53 Cb -0.06 -2.29 -0.11 0.00 1.01 0.00 0.00 42.92 41.47 1va4 s ASP 53 CO 0.19 -0.43 0.88 -1.14 0.21 0.00 0.00 175.17 174.88 1va4 n ARG 54 N 5.73 1.10 -1.59 8.23 0.63 -1.26 -4.33 116.66 125.17 1va4 n ARG 54 Ca -0.04 0.40 -0.49 0.00 -0.92 0.00 0.00 57.85 56.81 1va4 n ARG 54 Cb 0.49 -1.90 -0.04 0.00 0.45 0.00 0.00 32.46 31.46 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 0.19 1.28 -0.43 -0.14 1.85 -1.26 -0.73 116.66 117.41 1va4 n ARG 55 Ca 0.10 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1va4 n ARG 55 Cb 0.40 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 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 1.20 3.34 2.89 0.00 0.28 -4.97 105.19 110.03 1va4 n GLY 56 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.08 1.86 0.00 1.61 0.40 0.09 -0.58 117.98 118.27 1va4 s PHE 57 Ca 0.00 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1va4 s PHE 57 Cb 0.00 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1va4 s PHE 57 CO 0.00 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.69 1va4 n GLY 58 N 0.20 3.64 0.73 4.36 0.00 -1.26 -1.73 105.19 111.13 1va4 n GLY 58 Ca -0.12 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.96 -1.91 1.61 1.74 -1.26 -4.60 116.66 128.20 1va4 n ARG 59 Ca 0.00 -1.45 -0.31 0.00 -0.77 0.00 0.00 57.85 55.32 1va4 n ARG 59 Cb 0.00 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.57 6.25 0.93 0.55 0.01 -0.71 -4.62 113.70 114.54 1va4 s SER 60 Ca 0.34 1.44 -0.10 0.00 1.31 0.00 0.00 55.95 58.94 1va4 s SER 60 Cb 0.19 -2.47 0.14 0.00 0.21 0.00 0.00 66.02 64.09 1va4 s SER 60 CO 0.28 -0.86 1.07 0.47 0.41 0.00 0.00 173.24 174.61 1va4 n ASP 61 N -2.64 0.07 -3.49 2.44 8.00 -0.56 -4.54 116.55 115.82 1va4 n ASP 61 Ca 0.06 0.40 -0.27 0.00 0.71 0.00 0.00 54.79 55.69 1va4 n ASP 61 Cb 0.54 -1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.10 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 -4.02 2.35 -2.10 -1.24 6.02 -1.26 -0.56 117.38 116.58 1va4 n GLN 62 Ca 0.11 -4.59 -0.37 0.00 -0.01 0.00 0.00 57.00 52.14 1va4 n GLN 62 Cb 0.52 -2.23 0.01 0.00 1.02 0.00 0.00 30.24 29.57 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 -2.27 3.50 0.26 -1.09 0.04 -1.26 -4.93 135.00 129.25 1va4 s PRO 63 Ca 0.37 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 1va4 s PRO 63 Cb 0.12 -2.31 0.33 0.00 0.04 0.00 0.00 34.50 32.68 1va4 s PRO 63 CO -0.04 -0.80 1.72 2.35 0.04 0.00 0.00 177.00 180.26 1va4 h TRP 64 N 1.75 0.73 -2.16 0.56 2.91 -2.01 -3.45 115.95 114.28 1va4 h TRP 64 Ca -0.50 -0.14 -0.51 0.00 1.13 0.00 0.00 58.89 58.88 1va4 h TRP 64 Cb 1.27 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.68 1va4 h TRP 64 CO 0.50 0.78 -0.53 0.95 -1.03 0.00 0.00 178.44 179.11 1va4 s THR 65 N -4.71 4.28 0.00 2.65 -4.23 -1.26 -4.68 115.64 107.69 1va4 s THR 65 Ca -0.08 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1va4 s THR 65 Cb 0.14 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1va4 s THR 65 CO 0.81 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1va4 n GLY 66 N -1.17 0.73 2.74 3.99 0.00 -1.26 -4.97 105.19 105.24 1va4 n GLY 66 Ca -0.07 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 0.27 5.88 -3.89 1.61 3.02 -1.26 -4.51 115.26 116.38 1va4 n ASN 67 Ca 0.00 -3.09 -0.09 0.00 -0.03 0.00 0.00 54.58 51.37 1va4 n ASN 67 Cb 0.00 -1.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.65 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 0.88 -0.03 0.28 6.41 1.47 -1.26 -4.53 116.67 119.89 1va4 s ASP 68 Ca 0.44 -0.74 0.02 0.00 1.18 0.00 0.00 52.55 53.45 1va4 s ASP 68 Cb 0.12 0.46 0.41 0.00 -0.34 0.00 0.00 42.92 43.57 1va4 s ASP 68 CO -0.03 -0.91 1.74 1.88 0.68 0.00 0.00 175.17 178.53 1va4 h TYR 69 N 2.48 0.59 -0.65 2.11 0.05 -1.92 -0.97 116.97 118.65 1va4 h TYR 69 Ca -0.31 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.33 1va4 h TYR 69 Cb 1.23 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 1va4 h TYR 69 CO 0.39 0.70 0.31 -0.44 -1.05 0.00 0.00 178.16 178.07 1va4 h ASP 70 N 0.48 0.86 -0.42 3.88 3.32 -1.97 0.36 116.42 122.93 1va4 h ASP 70 Ca 0.08 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1va4 h ASP 70 Cb 0.61 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1va4 h ASP 70 CO 0.04 0.75 0.04 0.74 -1.72 0.00 0.00 179.24 179.10 1va4 h THR 71 N 0.91 1.25 -0.90 0.35 2.02 -1.73 -1.77 112.91 113.04 1va4 h THR 71 Ca 0.22 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.48 1va4 h THR 71 Cb 0.13 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1va4 h THR 71 CO -0.03 0.32 0.59 -0.26 0.37 0.00 0.00 175.52 176.52 1va4 h PHE 72 N 0.56 1.11 -0.59 3.16 0.04 -0.94 0.18 116.94 120.47 1va4 h PHE 72 Ca 0.12 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 1va4 h PHE 72 Cb 0.42 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1va4 h PHE 72 CO 0.03 0.68 0.24 0.00 -0.60 0.00 0.00 178.31 178.67 1va4 h ALA 73 N 1.34 0.76 -0.18 2.45 0.00 -0.81 -1.93 119.26 120.89 1va4 h ALA 73 Ca 0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1va4 h ALA 73 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1va4 h ALA 73 CO -0.09 0.37 -0.24 -0.44 0.00 0.00 0.00 179.25 178.84 1va4 h ASP 74 N 0.81 0.33 -0.51 0.00 3.32 -0.55 -1.46 116.42 118.36 1va4 h ASP 74 Ca 0.20 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1va4 h ASP 74 Cb 0.18 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1va4 h ASP 74 CO -0.02 0.58 0.06 0.44 -1.72 0.00 0.00 179.24 178.59 1va4 h ASP 75 N 0.30 0.82 -0.50 6.45 3.32 -0.29 -1.16 116.42 125.37 1va4 h ASP 75 Ca 0.05 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1va4 h ASP 75 Cb 0.59 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1va4 h ASP 75 CO 0.04 0.89 0.30 0.40 -1.72 0.00 0.00 179.24 179.15 1va4 h ILE 76 N 0.73 1.05 -0.83 0.35 2.04 -1.04 -1.36 117.51 118.45 1va4 h ILE 76 Ca 0.15 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1va4 h ILE 76 Cb 0.43 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1va4 h ILE 76 CO 0.01 0.11 0.49 0.00 0.00 0.00 0.00 178.15 178.76 1va4 h ALA 77 N 1.22 1.16 -0.60 1.87 0.00 -1.00 -0.98 119.26 120.94 1va4 h ALA 77 Ca 0.20 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1va4 h ALA 77 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1va4 h ALA 77 CO -0.09 0.17 0.00 1.96 0.00 0.00 0.00 179.25 181.29 1va4 h GLN 78 N 0.86 1.04 -0.32 0.00 4.20 -0.83 -0.90 115.11 119.16 1va4 h GLN 78 Ca 0.38 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1va4 h GLN 78 Cb 0.27 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1va4 h GLN 78 CO -0.21 1.02 0.14 1.25 -0.67 0.00 0.00 178.83 180.36 1va4 h LEU 79 N 0.95 0.44 -0.37 1.46 5.85 -0.77 0.10 115.31 122.98 1va4 h LEU 79 Ca 0.17 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1va4 h LEU 79 Cb 0.55 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1va4 h LEU 79 CO 0.03 0.47 0.09 0.40 -0.34 0.00 0.00 178.44 179.10 1va4 h ILE 80 N 0.38 0.85 -0.45 4.05 1.08 -0.99 -1.47 117.51 120.95 1va4 h ILE 80 Ca 0.11 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1va4 h ILE 80 Cb 0.17 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1va4 h ILE 80 CO -0.01 0.04 0.13 -0.33 -0.69 0.00 0.00 178.15 177.29 1va4 h GLU 81 N 0.23 0.71 -0.98 2.37 3.07 -1.01 -0.01 114.58 118.95 1va4 h GLU 81 Ca 0.17 -0.16 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 1va4 h GLU 81 Cb 0.18 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 1va4 h GLU 81 CO -0.21 0.69 0.63 1.25 -1.40 0.00 0.00 179.01 179.97 1va4 h HIS 82 N 0.59 1.16 -0.01 4.33 2.76 -0.31 -2.08 115.15 121.59 1va4 h HIS 82 Ca 0.14 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1va4 h HIS 82 Cb 0.29 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1va4 h HIS 82 CO 0.02 0.56 -0.34 1.28 -1.30 0.00 0.00 177.93 178.14 1va4 n LEU 83 N -4.55 1.69 -3.91 0.26 4.77 -0.60 -4.97 117.00 109.69 1va4 n LEU 83 Ca 0.16 -0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 55.31 1va4 n LEU 83 Cb 0.23 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1va4 n LEU 83 CO 0.31 0.31 -0.16 -0.67 -1.33 0.00 0.00 177.39 175.84 1va4 n ASP 84 N -0.16 -0.95 -4.78 -1.43 2.03 -0.13 -4.93 116.55 106.20 1va4 n ASP 84 Ca 0.11 -0.95 -0.37 0.00 0.52 0.00 0.00 54.79 54.10 1va4 n ASP 84 Cb 0.43 -3.33 -0.04 0.00 -0.72 0.00 0.00 41.12 37.45 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 -6.93 4.26 0.05 -2.67 1.43 -0.52 -5.03 118.68 109.27 1va4 s LEU 85 Ca 0.09 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 1va4 s LEU 85 Cb -0.05 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1va4 s LEU 85 CO 0.87 -0.35 -0.10 -0.54 0.23 0.00 0.00 176.35 176.47 1va4 s LYS 86 N -2.19 0.61 -1.41 1.70 1.02 -1.26 -4.83 119.74 113.37 1va4 s LYS 86 Ca 0.54 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.68 1va4 s LYS 86 Cb -0.24 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 36.67 1va4 s LYS 86 CO 0.30 0.09 0.64 0.39 -0.92 0.00 0.00 175.35 175.84 1va4 n GLU 87 N 1.41 -4.23 -2.76 1.68 -0.58 -0.78 -4.55 120.64 110.84 1va4 n GLU 87 Ca -0.22 0.51 -0.40 0.00 -0.42 0.00 0.00 57.16 56.62 1va4 n GLU 87 Cb 0.54 -4.96 -0.05 0.00 -0.57 0.00 0.00 31.44 26.40 1va4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1va4 s VAL 88 N -3.70 4.29 -0.28 2.62 1.01 0.01 -4.25 120.40 120.10 1va4 s VAL 88 Ca 0.16 2.05 -0.16 0.00 0.00 0.00 0.00 61.98 64.04 1va4 s VAL 88 Cb -0.08 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1va4 s VAL 88 CO 0.85 0.42 0.41 -0.89 0.00 0.00 0.00 175.10 175.89 1va4 s THR 89 N -0.63 5.14 -0.07 3.92 2.01 -0.28 -0.54 115.64 125.20 1va4 s THR 89 Ca 0.43 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 1va4 s THR 89 Cb -0.25 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1va4 s THR 89 CO 0.31 0.10 0.42 -0.76 -0.69 0.00 0.00 174.62 174.00 1va4 s LEU 90 N 2.13 4.35 -0.16 4.42 1.43 -0.44 -0.64 118.68 129.78 1va4 s LEU 90 Ca 0.16 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1va4 s LEU 90 Cb -0.16 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.50 1va4 s LEU 90 CO 0.10 0.15 -0.03 -0.69 0.23 0.00 0.00 176.35 176.11 1va4 s VAL 91 N -0.10 0.97 -0.10 -1.59 1.01 -0.19 -0.21 120.40 120.19 1va4 s VAL 91 Ca 0.24 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1va4 s VAL 91 Cb -0.15 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1va4 s VAL 91 CO 0.11 0.09 -0.17 -0.83 0.00 0.00 0.00 175.10 174.29 1va4 s GLY 92 N 1.69 1.47 -0.12 4.51 0.00 -0.59 -0.11 107.32 114.17 1va4 s GLY 92 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1va4 s GLY 92 CO -0.07 -0.36 -0.03 -0.12 0.00 0.00 0.00 173.10 172.51 1va4 s PHE 93 N 0.12 3.06 0.00 1.90 5.36 -0.55 -0.70 117.98 127.16 1va4 s PHE 93 Ca -0.08 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1va4 s PHE 93 Cb -0.15 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1va4 s PHE 93 CO 0.05 0.20 0.00 0.45 -1.46 0.00 0.00 175.22 174.46 1va4 n SER 94 N 2.84 0.00 0.31 6.13 2.88 -0.11 0.06 113.62 125.74 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 0.98 0.00 -0.75 0.00 0.00 64.21 64.97 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 -1.85 -1.89 114.93 109.73 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 0.78 -0.00 0.00 0.00 176.91 177.72 1va4 h GLY 96 N 0.44 0.00 2.00 -3.00 0.00 -0.30 -1.47 103.07 100.74 1va4 h GLY 96 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1va4 h GLY 96 CO 0.00 0.00 -0.10 -1.33 0.00 0.00 0.00 176.54 175.12 1va4 h GLY 97 N 1.57 0.01 1.34 4.60 0.00 -1.40 -3.14 103.07 106.04 1va4 h GLY 97 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1va4 h GLY 97 CO 0.00 0.00 -0.71 -1.33 0.00 0.00 0.00 176.54 174.50 1va4 h GLY 98 N 0.30 0.72 1.86 4.60 0.00 -1.44 -2.21 103.07 106.90 1va4 h GLY 98 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 47.33 46.15 1va4 h GLY 98 CO 0.01 0.87 -1.00 1.29 0.00 0.00 0.00 176.54 177.71 1va4 h ASP 99 N 0.46 0.00 -0.42 0.19 3.04 -1.63 0.72 116.42 118.78 1va4 h ASP 99 Ca -0.03 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.66 1va4 h ASP 99 Cb 1.31 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.58 1va4 h ASP 99 CO 0.14 0.90 -0.09 -0.37 -2.04 0.00 0.00 179.24 177.78 1va4 h VAL 100 N 0.00 1.26 -0.28 4.15 -1.51 -1.60 0.42 116.25 118.68 1va4 h VAL 100 Ca -0.04 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 1va4 h VAL 100 Cb 1.72 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1va4 h VAL 100 CO 0.11 0.41 0.05 0.00 -1.23 0.00 0.00 177.57 176.91 1va4 h ALA 101 N 1.10 0.38 -0.12 5.19 0.00 -1.29 -2.75 119.26 121.76 1va4 h ALA 101 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1va4 h ALA 101 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 101 CO 0.04 0.06 -0.30 -0.09 0.00 0.00 0.00 179.25 178.96 1va4 h ARG 102 N 0.29 0.23 0.23 0.00 9.65 -0.80 -1.33 114.38 122.65 1va4 h ARG 102 Ca 0.09 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1va4 h ARG 102 Cb 0.33 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1va4 h ARG 102 CO 0.00 0.51 -0.27 -0.92 2.80 0.00 0.00 179.97 182.09 1va4 h TYR 103 N 0.21 -0.74 -0.69 2.20 3.20 -0.79 -0.07 116.97 120.31 1va4 h TYR 103 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1va4 h TYR 103 Cb 0.63 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 1va4 h TYR 103 CO 0.01 -0.39 0.39 0.82 -1.64 0.00 0.00 178.16 177.35 1va4 h ILE 104 N -0.55 0.98 -0.53 1.81 2.04 -1.20 0.10 117.51 120.16 1va4 h ILE 104 Ca 0.00 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1va4 h ILE 104 Cb 0.53 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1va4 h ILE 104 CO -0.09 0.13 0.19 0.00 0.00 0.00 0.00 178.15 178.38 1va4 h ALA 105 N 1.35 0.69 0.10 1.87 0.00 -0.99 0.27 119.26 122.55 1va4 h ALA 105 Ca 0.30 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 1va4 h ALA 105 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1va4 h ALA 105 CO -0.18 0.33 -1.25 0.00 0.00 0.00 0.00 179.25 178.15 1va4 h ARG 106 N 0.73 0.21 -0.00 0.00 3.08 -0.76 -3.38 114.38 114.24 1va4 h ARG 106 Ca 0.17 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1va4 h ARG 106 Cb 0.24 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1va4 h ARG 106 CO -0.01 1.14 -0.14 0.72 -1.07 0.00 0.00 179.97 180.62 1va4 n HIS 107 N -3.47 0.00 -0.46 3.04 8.25 0.33 -5.10 115.22 117.81 1va4 n HIS 107 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1va4 n HIS 107 Cb 1.01 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.11 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 0.75 -2.20 0.72 -1.41 0.00 0.94 -4.70 105.19 99.29 1va4 n GLY 108 Ca 0.03 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.40 2.99 0.05 1.61 3.41 -1.26 -4.48 113.62 114.54 1va4 n SER 109 Ca 0.00 -3.29 0.04 0.00 -0.26 0.00 0.00 58.87 55.37 1va4 n SER 109 Cb 0.10 -0.54 0.45 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.08 1.71 -0.12 7.33 0.00 -1.98 -1.81 119.26 125.47 1va4 h ALA 110 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1va4 h ALA 110 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1va4 h ALA 110 CO 0.19 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1va4 n ARG 111 N -4.45 1.87 -4.44 0.00 1.74 -1.26 -4.74 116.66 105.38 1va4 n ARG 111 Ca 0.02 -1.29 -0.34 0.00 -0.77 0.00 0.00 57.85 55.47 1va4 n ARG 111 Cb 0.10 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 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 3.60 -0.15 1.55 1.01 -0.68 -0.81 120.40 123.06 1va4 s VAL 112 Ca 0.35 -0.46 0.20 0.00 0.00 0.00 0.00 61.98 62.07 1va4 s VAL 112 Cb 0.20 -2.57 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 1va4 s VAL 112 CO 0.30 0.49 0.74 0.00 0.00 0.00 0.00 175.10 176.63 1va4 n ALA 113 N 3.71 2.34 -3.62 5.51 0.00 0.30 -4.76 120.51 123.99 1va4 n ALA 113 Ca -0.18 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 1va4 n ALA 113 Cb 0.52 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 -4.63 -0.28 -0.02 0.00 0.00 -1.20 -4.36 107.32 96.83 1va4 s GLY 114 Ca -0.04 1.59 0.03 0.00 0.00 0.00 0.00 44.72 46.29 1va4 s GLY 114 CO 0.83 0.50 -0.09 -2.27 0.00 0.00 0.00 173.10 172.07 1va4 s LEU 115 N -2.27 1.88 -0.08 0.66 2.96 -0.41 -1.33 118.68 120.09 1va4 s LEU 115 Ca 0.11 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1va4 s LEU 115 Cb 0.00 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.18 1va4 s LEU 115 CO -0.04 0.09 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.26 1va4 s VAL 116 N 0.03 1.27 -0.30 1.68 1.01 0.71 -1.24 120.40 123.57 1va4 s VAL 116 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1va4 s VAL 116 Cb -0.07 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1va4 s VAL 116 CO 0.00 0.39 -0.01 -0.76 0.00 0.00 0.00 175.10 174.73 1va4 s LEU 117 N 0.84 3.91 -0.26 3.92 1.43 -0.22 -1.55 118.68 126.75 1va4 s LEU 117 Ca -0.11 -1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 51.57 1va4 s LEU 117 Cb -0.15 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1va4 s LEU 117 CO 0.01 -0.26 0.10 -0.76 0.23 0.00 0.00 176.35 175.67 1va4 s LEU 118 N 1.22 3.64 -1.60 1.79 1.43 0.12 -1.59 118.68 123.69 1va4 s LEU 118 Ca -0.05 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 1va4 s LEU 118 Cb -0.20 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.20 1va4 s LEU 118 CO -0.02 -0.06 0.72 0.61 0.23 0.00 0.00 176.35 177.83 1va4 n GLY 119 N 4.96 -0.45 3.85 -3.19 0.00 -0.34 -0.93 105.19 109.09 1va4 n GLY 119 Ca -0.15 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 3.32 -0.70 4.61 0.00 -1.26 -3.19 121.76 121.35 1va4 s ALA 120 Ca 0.68 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.82 1va4 s ALA 120 Cb -0.37 -2.77 0.73 0.00 0.00 0.00 0.00 23.12 20.71 1va4 s ALA 120 CO 0.84 0.27 1.51 1.33 0.00 0.00 0.00 175.76 179.71 1va4 n VAL 121 N -0.52 1.09 -2.04 0.00 0.24 -0.94 -4.27 118.33 111.90 1va4 n VAL 121 Ca 0.03 0.35 -0.35 0.00 -2.04 0.00 0.00 64.34 62.33 1va4 n VAL 121 Cb 0.53 -1.23 0.03 0.00 -1.47 0.00 0.00 33.84 31.70 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 -3.19 2.92 -0.94 3.34 -4.23 -1.26 -2.37 115.64 109.91 1va4 s THR 122 Ca 0.04 0.54 0.27 0.00 -1.18 0.00 0.00 61.69 61.36 1va4 s THR 122 Cb 0.08 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.88 1va4 s THR 122 CO 0.26 -0.16 1.67 -0.81 -0.54 0.00 0.00 174.62 175.04 1va4 n PRO 123 N -1.67 0.05 -3.63 3.99 -0.04 -1.26 -3.63 135.00 128.81 1va4 n PRO 123 Ca 0.12 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1va4 n PRO 123 Cb 0.51 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.25 -0.48 -0.06 1.53 2.96 -1.00 0.06 118.68 118.44 1va4 s LEU 124 Ca 0.12 0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 54.82 1va4 s LEU 124 Cb 0.17 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.80 1va4 s LEU 124 CO 0.62 -0.20 -0.18 0.33 -1.32 0.00 0.00 176.35 175.60 1va4 n PHE 125 N 2.05 0.00 -1.92 5.38 -0.00 -1.22 -4.67 117.46 117.09 1va4 n PHE 125 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.02 1va4 n PHE 125 Cb 0.56 -0.31 0.04 0.00 -0.00 0.00 0.00 39.48 39.77 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 -4.63 1.63 0.58 7.13 0.00 -1.10 -1.10 107.32 109.84 1va4 s GLY 126 Ca -0.16 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.07 1va4 s GLY 126 CO 0.22 0.04 1.28 1.20 0.00 0.00 0.00 173.10 175.85 1va4 s GLN 127 N -5.28 2.96 0.20 2.90 -0.21 -0.20 -4.46 119.66 115.57 1va4 s GLN 127 Ca 0.57 2.03 0.01 0.00 0.02 0.00 0.00 55.36 58.00 1va4 s GLN 127 Cb -0.11 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.80 1va4 s GLN 127 CO 0.52 -1.27 0.04 0.15 -2.12 0.00 0.00 175.29 172.61 1va4 s LYS 128 N -3.15 1.19 0.28 2.91 -0.14 -1.08 -4.90 119.74 114.86 1va4 s LYS 128 Ca 0.76 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.78 1va4 s LYS 128 Cb -0.36 -0.20 0.67 0.00 -1.68 0.00 0.00 37.83 36.26 1va4 s LYS 128 CO 0.40 -0.20 1.68 -1.35 -0.76 0.00 0.00 175.35 175.12 1va4 h PRO 129 N 2.61 0.29 -0.50 -1.68 0.11 -2.02 -0.04 132.00 130.77 1va4 h PRO 129 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1va4 h PRO 129 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1va4 h PRO 129 CO 0.61 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1va4 n ASP 130 N -5.13 2.68 -2.94 -2.05 5.75 -1.26 -4.42 116.55 109.18 1va4 n ASP 130 Ca 0.20 -2.02 -0.14 0.00 -0.01 0.00 0.00 54.79 52.82 1va4 n ASP 130 Cb 0.63 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.92 0.65 0.31 2.11 9.36 -0.04 -4.91 117.16 125.56 1va4 n TYR 131 Ca 0.16 -3.34 0.20 0.00 3.32 0.00 0.00 57.90 58.24 1va4 n TYR 131 Cb 0.43 -0.40 1.03 0.00 -0.63 0.00 0.00 39.34 39.77 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 -1.76 -1.31 132.00 135.04 1va4 h PRO 132 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1va4 h PRO 132 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1va4 h PRO 132 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 1va4 n GLN 133 N -2.95 0.06 -0.90 0.86 0.00 -1.26 -4.82 117.38 108.37 1va4 n GLN 133 Ca -0.02 0.18 -0.29 0.00 0.00 0.00 0.00 57.00 56.87 1va4 n GLN 133 Cb 0.11 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 29.06 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 -2.91 1.56 0.07 2.61 0.00 -0.52 -4.97 107.32 103.17 1va4 s GLY 134 Ca 0.10 -0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.28 1va4 s GLY 134 CO 0.31 0.42 1.27 0.14 0.00 0.00 0.00 173.10 175.24 1va4 s VAL 135 N -2.74 3.80 0.38 1.40 1.01 -0.26 -4.24 120.40 119.74 1va4 s VAL 135 Ca 0.67 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 63.65 1va4 s VAL 135 Cb -0.21 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 1va4 s VAL 135 CO 0.61 0.09 1.33 -2.65 0.00 0.00 0.00 175.10 174.47 1va4 n PRO 136 N 4.11 2.19 0.24 2.72 -0.02 -1.26 -1.03 135.00 141.95 1va4 n PRO 136 Ca 0.10 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.42 1va4 n PRO 136 Cb 0.45 -2.42 0.59 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.48 0.00 -0.78 2.45 3.38 -1.93 -1.49 115.31 119.43 1va4 h LEU 137 Ca -0.48 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.63 1va4 h LEU 137 Cb 1.28 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 1va4 h LEU 137 CO 0.62 0.09 -0.26 -0.67 0.09 0.00 0.00 178.44 178.32 1va4 n ASP 138 N -4.35 -0.41 -0.14 -0.43 4.64 -1.26 -0.56 116.55 114.04 1va4 n ASP 138 Ca -0.03 1.35 -0.08 0.00 -1.38 0.00 0.00 54.79 54.65 1va4 n ASP 138 Cb 0.17 -0.35 0.00 0.00 -1.04 0.00 0.00 41.12 39.91 1va4 n ASP 138 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1va4 h VAL 139 N 0.00 1.11 -0.04 5.18 2.07 -1.63 -2.00 116.25 120.95 1va4 h VAL 139 Ca 0.31 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 1va4 h VAL 139 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1va4 h VAL 139 CO -0.78 0.11 -0.61 -0.26 0.02 0.00 0.00 177.57 176.05 1va4 h PHE 140 N 0.57 0.21 -0.83 1.57 0.04 -1.43 -1.46 116.94 115.61 1va4 h PHE 140 Ca 0.15 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.89 1va4 h PHE 140 Cb -0.05 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1va4 h PHE 140 CO -0.04 0.73 0.52 0.00 -0.60 0.00 0.00 178.31 178.92 1va4 h ALA 141 N 1.25 1.11 -0.27 2.45 0.00 -0.56 -1.60 119.26 121.65 1va4 h ALA 141 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1va4 h ALA 141 Cb 1.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1va4 h ALA 141 CO 0.09 0.32 -0.44 0.00 0.00 0.00 0.00 179.25 179.22 1va4 h ARG 142 N 0.99 0.68 -0.34 0.00 3.08 -1.02 -0.84 114.38 116.92 1va4 h ARG 142 Ca 0.34 -0.37 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1va4 h ARG 142 Cb 0.07 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1va4 h ARG 142 CO -0.14 0.98 -0.03 0.74 -1.07 0.00 0.00 179.97 180.45 1va4 h PHE 143 N 0.55 -0.08 -0.39 3.04 -1.00 -0.77 -1.36 116.94 116.93 1va4 h PHE 143 Ca 0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1va4 h PHE 143 Cb 0.98 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 1va4 h PHE 143 CO 0.05 -0.10 0.18 0.87 -1.61 0.00 0.00 178.31 177.70 1va4 h LYS 144 N 0.06 0.56 -0.44 1.51 1.57 -0.98 -0.26 116.57 118.57 1va4 h LYS 144 Ca 0.17 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1va4 h LYS 144 Cb 0.24 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1va4 h LYS 144 CO -0.31 0.50 0.03 1.15 -0.57 0.00 0.00 179.45 180.24 1va4 h THR 145 N 0.48 0.69 -0.37 -0.16 2.02 -0.92 -0.87 112.91 113.79 1va4 h THR 145 Ca 0.13 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.13 1va4 h THR 145 Cb 0.13 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1va4 h THR 145 CO -0.02 0.03 -0.30 -0.33 0.37 0.00 0.00 175.52 175.27 1va4 h GLU 146 N 0.14 0.79 -0.11 6.66 5.08 -0.95 -2.95 114.58 123.24 1va4 h GLU 146 Ca 0.22 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1va4 h GLU 146 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1va4 h GLU 146 CO -0.34 0.99 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.38 1va4 h LEU 147 N 0.67 0.18 -0.45 1.33 3.38 -0.75 -1.20 115.31 118.46 1va4 h LEU 147 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1va4 h LEU 147 Cb 0.83 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1va4 h LEU 147 CO 0.07 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.17 1va4 n LEU 148 N -4.23 0.70 -0.12 1.67 4.77 -0.36 -3.09 117.00 116.35 1va4 n LEU 148 Ca -0.01 -0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 55.47 1va4 n LEU 148 Cb 0.31 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1va4 n LEU 148 CO 0.38 0.12 -1.33 0.29 -1.33 0.00 0.00 177.39 175.52 1va4 n LYS 149 N -0.44 0.52 -3.01 3.23 5.02 -0.92 -4.97 118.16 117.58 1va4 n LYS 149 Ca 0.21 0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1va4 n LYS 149 Cb 0.22 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 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 -7.14 -0.56 0.36 4.39 -1.08 -0.50 -5.02 116.67 107.12 1va4 s ASP 150 Ca -0.34 -1.92 0.11 0.00 -0.52 0.00 0.00 52.55 49.88 1va4 s ASP 150 Cb 0.13 1.25 0.67 0.00 -1.46 0.00 0.00 42.92 43.51 1va4 s ASP 150 CO 0.43 -0.11 1.81 0.08 0.52 0.00 0.00 175.17 177.91 1va4 h ARG 151 N 5.57 0.09 -0.13 4.34 0.11 -1.71 -2.06 114.38 120.60 1va4 h ARG 151 Ca 0.11 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.17 1va4 h ARG 151 Cb 1.07 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 1va4 h ARG 151 CO 0.12 0.43 0.00 0.00 0.10 0.00 0.00 179.97 180.62 1va4 h ALA 152 N 1.57 0.11 -0.06 0.08 0.00 -1.94 -0.46 119.26 118.57 1va4 h ALA 152 Ca 0.01 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1va4 h ALA 152 Cb 0.65 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1va4 h ALA 152 CO 0.05 -0.45 -0.67 0.37 0.00 0.00 0.00 179.25 178.55 1va4 h GLN 153 N 0.05 0.27 -0.12 0.00 5.75 -1.96 -2.09 115.11 117.02 1va4 h GLN 153 Ca 0.06 -0.21 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1va4 h GLN 153 Cb 0.07 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1va4 h GLN 153 CO -0.10 0.84 -0.04 0.35 -2.65 0.00 0.00 178.83 177.24 1va4 h PHE 154 N 0.19 -0.08 -0.34 3.99 3.57 -1.11 0.65 116.94 123.81 1va4 h PHE 154 Ca -0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1va4 h PHE 154 Cb 1.21 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1va4 h PHE 154 CO 0.03 -0.06 0.14 0.82 -2.23 0.00 0.00 178.31 177.00 1va4 h ILE 155 N -0.02 0.94 -0.38 1.41 2.04 -0.97 0.41 117.51 120.94 1va4 h ILE 155 Ca 0.06 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1va4 h ILE 155 Cb 0.11 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1va4 h ILE 155 CO -0.13 0.05 0.20 -1.28 0.00 0.00 0.00 178.15 176.99 1va4 h SER 156 N 0.30 0.29 0.41 1.72 0.87 -1.00 -1.99 113.55 114.15 1va4 h SER 156 Ca 0.15 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1va4 h SER 156 Cb 0.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1va4 h SER 156 CO -0.13 0.21 -0.35 0.44 -0.53 0.00 0.00 176.83 176.47 1va4 h ASP 157 N 0.40 0.00 0.68 6.23 3.32 -0.68 -2.95 116.42 123.42 1va4 h ASP 157 Ca 0.16 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1va4 h ASP 157 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1va4 h ASP 157 CO -0.11 0.35 -0.19 0.15 -1.72 0.00 0.00 179.24 177.73 1va4 h PHE 158 N 0.00 0.00 -0.82 4.55 3.04 -0.17 -3.11 116.94 120.44 1va4 h PHE 158 Ca -0.00 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.09 1va4 h PHE 158 Cb 0.65 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.07 1va4 h PHE 158 CO 0.00 0.19 0.40 -0.91 -2.02 0.00 0.00 178.31 175.97 1va4 h ASN 159 N 0.00 0.47 0.72 0.41 2.35 -1.28 -1.48 115.58 116.76 1va4 h ASN 159 Ca -0.00 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1va4 h ASN 159 Cb 0.58 0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.98 1va4 h ASN 159 CO 0.02 0.20 -0.35 0.00 -1.65 0.00 0.00 177.43 175.65 1va4 h ALA 160 N 1.55 -0.97 0.00 -0.83 0.00 -1.75 -1.41 119.26 115.85 1va4 h ALA 160 Ca 0.44 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1va4 h ALA 160 Cb 0.63 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1va4 h ALA 160 CO -0.37 -1.01 -0.31 -1.00 0.00 0.00 0.00 179.25 176.56 1va4 h PRO 161 N -1.05 0.00 -0.04 0.00 0.13 -1.76 0.14 132.00 129.43 1va4 h PRO 161 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1va4 h PRO 161 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1va4 h PRO 161 CO 0.16 0.31 0.02 0.35 -0.23 0.00 0.00 178.00 178.62 1va4 h PHE 162 N 0.00 0.05 -0.00 1.56 3.04 -1.18 -3.10 116.94 117.30 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 0.76 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1va4 h PHE 162 CO 0.00 0.09 -0.39 0.66 -2.02 0.00 0.00 178.31 176.65 1va4 n TYR 163 N -5.04 0.00 -1.18 0.41 4.01 -0.54 -0.83 117.16 114.00 1va4 n TYR 163 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 1va4 n TYR 163 Cb 0.06 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.43 0.84 0.32 2.72 0.00 0.28 -4.72 105.19 106.06 1va4 n GLY 164 Ca 0.08 -0.60 0.06 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 1.06 0.00 -0.61 2.04 -1.19 0.29 117.51 119.10 1va4 h ILE 165 Ca -0.12 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1va4 h ILE 165 Cb 0.45 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1va4 h ILE 165 CO 0.18 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 177.97 1va4 n ASN 166 N -4.48 0.00 -0.32 1.72 6.94 -1.23 -1.10 115.26 116.80 1va4 n ASN 166 Ca 0.05 0.22 0.03 0.00 -0.02 0.00 0.00 54.58 54.85 1va4 n ASN 166 Cb 0.13 -0.34 0.08 0.00 -2.36 0.00 0.00 39.78 37.29 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 -1.34 2.93 0.00 -3.83 4.76 0.03 -5.00 118.16 115.71 1va4 n LYS 167 Ca 0.05 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 1va4 n LYS 167 Cb 0.10 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 -0.01 0.35 3.71 0.72 0.00 -0.26 -5.07 105.19 104.63 1va4 n GLY 168 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1va4 n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1va4 n GLN 169 N -1.63 2.21 -3.42 1.61 1.13 -0.80 -4.93 117.38 111.55 1va4 n GLN 169 Ca 0.00 0.78 -0.39 0.00 -1.94 0.00 0.00 57.00 55.45 1va4 n GLN 169 Cb 0.00 -2.39 -0.09 0.00 0.11 0.00 0.00 30.24 27.87 1va4 n GLN 169 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1va4 s VAL 170 N -0.93 5.20 -0.06 5.09 1.01 -1.26 -4.19 120.40 125.25 1va4 s VAL 170 Ca 0.57 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 1va4 s VAL 170 Cb -0.56 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1va4 s VAL 170 CO 0.60 0.19 0.14 -0.69 0.00 0.00 0.00 175.10 175.34 1va4 s VAL 171 N 1.88 -0.04 0.67 2.92 1.01 -1.26 -4.99 120.40 120.59 1va4 s VAL 171 Ca 0.14 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1va4 s VAL 171 Cb -0.16 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1va4 s VAL 171 CO 0.09 0.06 1.17 -0.94 0.00 0.00 0.00 175.10 175.49 1va4 s SER 172 N 0.94 4.75 0.37 3.32 1.04 -1.26 -4.90 113.70 117.96 1va4 s SER 172 Ca -0.07 2.25 0.05 0.00 0.48 0.00 0.00 55.95 58.65 1va4 s SER 172 Cb -0.09 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.17 1va4 s SER 172 CO -0.05 -1.88 2.00 1.56 0.98 0.00 0.00 173.24 175.85 1va4 h GLN 173 N 0.13 0.74 -0.20 4.02 1.08 -2.01 -2.55 115.11 116.32 1va4 h GLN 173 Ca -0.48 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 1va4 h GLN 173 Cb 1.28 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.50 1va4 h GLN 173 CO 0.52 0.49 -0.06 0.78 -0.95 0.00 0.00 178.83 179.61 1va4 h GLY 174 N 0.76 0.14 0.98 3.46 0.00 -1.99 -0.03 103.07 106.38 1va4 h GLY 174 Ca 0.25 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1va4 h GLY 174 CO -0.07 -0.08 0.54 -2.08 0.00 0.00 0.00 176.54 174.85 1va4 h VAL 175 N -0.01 1.19 -0.69 4.60 2.07 -1.86 -0.19 116.25 121.36 1va4 h VAL 175 Ca 0.10 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1va4 h VAL 175 Cb 0.16 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1va4 h VAL 175 CO -0.22 0.20 0.16 1.56 0.02 0.00 0.00 177.57 179.30 1va4 h GLN 176 N 1.09 1.11 -0.15 1.57 4.20 -1.03 -0.12 115.11 121.78 1va4 h GLN 176 Ca 0.31 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1va4 h GLN 176 Cb -0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1va4 h GLN 176 CO -0.08 0.98 0.04 1.15 -0.67 0.00 0.00 178.83 180.25 1va4 h THR 177 N 1.05 1.19 -0.91 -0.54 2.02 -0.59 -2.28 112.91 112.85 1va4 h THR 177 Ca 0.22 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1va4 h THR 177 Cb 0.37 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1va4 h THR 177 CO 0.00 0.18 0.59 -0.61 0.37 0.00 0.00 175.52 176.05 1va4 h GLN 178 N 0.06 1.10 -0.42 6.66 4.15 -0.90 0.96 115.11 126.71 1va4 h GLN 178 Ca 0.05 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1va4 h GLN 178 Cb 0.23 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1va4 h GLN 178 CO -0.00 0.72 0.25 1.15 -1.93 0.00 0.00 178.83 179.02 1va4 h THR 179 N 1.13 1.14 -0.24 2.39 2.02 -0.82 -1.79 112.91 116.75 1va4 h THR 179 Ca 0.37 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1va4 h THR 179 Cb 0.03 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1va4 h THR 179 CO -0.13 0.14 0.04 0.25 0.37 0.00 0.00 175.52 176.19 1va4 h LEU 180 N 0.56 0.38 -0.52 2.58 5.85 -1.15 -1.14 115.31 121.87 1va4 h LEU 180 Ca 0.15 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1va4 h LEU 180 Cb 0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1va4 h LEU 180 CO -0.03 0.55 0.21 -0.61 -0.34 0.00 0.00 178.44 178.22 1va4 h GLN 181 N 0.20 0.39 -0.29 1.25 4.15 -0.60 -1.52 115.11 118.69 1va4 h GLN 181 Ca 0.07 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1va4 h GLN 181 Cb 0.33 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1va4 h GLN 181 CO 0.01 0.26 0.04 0.82 -1.93 0.00 0.00 178.83 178.02 1va4 h ILE 182 N 0.40 1.24 -0.58 2.39 2.04 -1.25 -2.92 117.51 118.82 1va4 h ILE 182 Ca 0.25 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1va4 h ILE 182 Cb 0.25 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1va4 h ILE 182 CO -0.24 0.27 0.38 0.00 0.00 0.00 0.00 178.15 178.56 1va4 h ALA 183 N 0.87 1.73 0.00 1.87 0.00 -0.78 -1.92 119.26 121.04 1va4 h ALA 183 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1va4 h ALA 183 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1va4 h ALA 183 CO 0.01 0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 179.27 1va4 h LEU 184 N 0.64 0.00 -1.77 0.00 3.38 -1.10 -2.40 115.31 114.06 1va4 h LEU 184 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1va4 h LEU 184 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1va4 h LEU 184 CO -0.06 0.11 -0.15 -0.07 0.09 0.00 0.00 178.44 178.36 1va4 h LEU 185 N 0.00 0.00-10.31 1.67 3.38 -1.29 -3.46 115.31 105.30 1va4 h LEU 185 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1va4 h LEU 185 Cb 0.56 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.45 1va4 h LEU 185 CO 0.01 0.15 0.31 0.00 0.09 0.00 0.00 178.44 179.00 1va4 s ALA 186 N -4.57 2.17 0.21 1.53 0.00 -0.91 -4.55 121.76 115.64 1va4 s ALA 186 Ca -0.04 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 1va4 s ALA 186 Cb 0.15 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1va4 s ALA 186 CO 0.66 -1.86 1.19 0.45 0.00 0.00 0.00 175.76 176.20 1va4 s SER 187 N -3.35 7.10 0.21 0.00 0.15 0.25 -4.96 113.70 113.10 1va4 s SER 187 Ca 0.62 2.27 -0.10 0.00 0.70 0.00 0.00 55.95 59.44 1va4 s SER 187 Cb -0.18 -2.61 0.21 0.00 -1.71 0.00 0.00 66.02 61.73 1va4 s SER 187 CO 0.56 -0.34 1.84 0.25 1.20 0.00 0.00 173.24 176.75 1va4 h LEU 188 N 4.88 0.71 -0.23 3.45 5.85 -1.95 -0.42 115.31 127.60 1va4 h LEU 188 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1va4 h LEU 188 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1va4 h LEU 188 CO 0.73 0.49 0.07 0.50 -0.34 0.00 0.00 178.44 179.88 1va4 h LYS 189 N 0.85 0.36 -0.83 1.25 1.63 -1.96 -1.64 116.57 116.22 1va4 h LYS 189 Ca 0.29 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1va4 h LYS 189 Cb 0.05 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1va4 h LYS 189 CO -0.12 0.45 0.48 0.00 -3.45 0.00 0.00 179.45 176.80 1va4 h ALA 190 N 0.89 1.27 -0.44 5.00 0.00 -1.82 0.17 119.26 124.33 1va4 h ALA 190 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1va4 h ALA 190 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1va4 h ALA 190 CO -0.00 0.61 0.22 1.15 0.00 0.00 0.00 179.25 181.22 1va4 h THR 191 N 1.15 1.18 -0.11 0.00 2.02 -0.79 -0.70 112.91 115.67 1va4 h THR 191 Ca 0.30 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1va4 h THR 191 Cb -0.01 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1va4 h THR 191 CO -0.05 0.20 -0.46 0.58 0.37 0.00 0.00 175.52 176.16 1va4 h VAL 192 N 0.57 1.37 -0.69 3.16 2.07 -1.05 -3.22 116.25 118.47 1va4 h VAL 192 Ca 0.15 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.92 1va4 h VAL 192 Cb 0.11 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1va4 h VAL 192 CO -0.02 0.53 0.46 0.44 0.02 0.00 0.00 177.57 179.00 1va4 h ASP 193 N 0.09 0.73 -0.83 0.57 3.32 -0.88 -1.80 116.42 117.62 1va4 h ASP 193 Ca -0.03 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1va4 h ASP 193 Cb 1.10 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1va4 h ASP 193 CO 0.10 0.51 0.54 0.00 -1.72 0.00 0.00 179.24 178.67 1va4 h VAL 195 N 0.95 0.98 -0.36 0.00 2.07 -1.34 0.30 116.25 118.86 1va4 h VAL 195 Ca 0.35 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1va4 h VAL 195 Cb 0.17 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1va4 h VAL 195 CO -0.12 0.05 -0.06 0.74 0.02 0.00 0.00 177.57 178.20 1va4 h THR 196 N 0.25 0.67 0.46 2.57 2.02 -1.35 0.14 112.91 117.67 1va4 h THR 196 Ca 0.11 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1va4 h THR 196 Cb 0.04 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1va4 h THR 196 CO -0.08 0.01 -0.22 0.00 0.37 0.00 0.00 175.52 175.59 1va4 h ALA 197 N 1.34 -0.62 0.00 6.16 0.00 -0.87 -2.09 119.26 123.18 1va4 h ALA 197 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1va4 h ALA 197 Cb 0.26 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1va4 h ALA 197 CO -0.34 -0.84 -0.47 0.27 0.00 0.00 0.00 179.25 177.87 1va4 h PHE 198 N -0.64 0.00 -0.73 0.00 -5.15 -0.86 -1.89 116.94 107.66 1va4 h PHE 198 Ca -0.06 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.66 1va4 h PHE 198 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.63 1va4 h PHE 198 CO -0.04 0.47 0.25 0.00 -2.00 0.00 0.00 178.31 176.99 1va4 h ALA 199 N 1.53 1.07 0.00 12.09 0.00 -0.64 -3.38 119.26 129.93 1va4 h ALA 199 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1va4 h ALA 199 Cb 1.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1va4 h ALA 199 CO 0.06 0.64 -0.28 0.39 0.00 0.00 0.00 179.25 180.06 1va4 n GLU 200 N -4.27 5.16 -2.89 0.00 1.02 -0.79 -2.69 120.64 116.18 1va4 n GLU 200 Ca 0.06 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 1va4 n GLU 200 Cb 0.21 -0.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.47 4.96 -0.32 2.62 2.01 -0.72 -5.02 115.64 117.69 1va4 s THR 201 Ca 0.01 1.72 -0.13 0.00 0.31 0.00 0.00 61.69 63.60 1va4 s THR 201 Cb 0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1va4 s THR 201 CO 0.17 0.19 0.27 -0.62 -0.69 0.00 0.00 174.62 173.94 1va4 s ASP 202 N 0.92 6.10 -0.04 3.53 -1.08 -1.26 -4.54 116.67 120.30 1va4 s ASP 202 Ca 0.44 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 1va4 s ASP 202 Cb -0.19 -2.16 0.63 0.00 -1.46 0.00 0.00 42.92 39.74 1va4 s ASP 202 CO 0.22 -0.21 1.53 0.49 0.52 0.00 0.00 175.17 177.71 1va4 n PHE 203 N 5.19 1.08 -0.28 -5.34 3.72 0.11 -4.52 117.46 117.42 1va4 n PHE 203 Ca -0.12 -0.49 -0.03 0.00 -0.05 0.00 0.00 57.45 56.77 1va4 n PHE 203 Cb 0.50 -0.08 0.09 0.00 -0.94 0.00 0.00 39.48 39.05 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 3.95 0.95 -0.97 -1.08 3.08 -1.89 -0.91 114.38 117.49 1va4 h ARG 204 Ca 0.00 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.07 1va4 h ARG 204 Cb 1.07 -0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.84 1va4 h ARG 204 CO 0.07 0.63 0.63 -1.35 -1.07 0.00 0.00 179.97 178.88 1va4 h PRO 205 N 0.98 1.06 -0.77 0.04 0.11 -1.93 -2.43 132.00 129.06 1va4 h PRO 205 Ca 0.31 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.36 1va4 h PRO 205 Cb -0.00 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.83 1va4 h PRO 205 CO -0.11 0.70 0.51 -0.44 -0.21 0.00 0.00 178.00 178.45 1va4 h ASP 206 N 1.09 0.87 -0.73 -2.05 5.19 -1.51 -2.82 116.42 116.46 1va4 h ASP 206 Ca 0.43 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.88 1va4 h ASP 206 Cb 0.25 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 1va4 h ASP 206 CO -0.18 0.63 0.48 0.24 -3.12 0.00 0.00 179.24 177.29 1va4 h MET 207 N 1.03 0.77 0.00 3.56 2.86 -0.78 -0.13 114.93 122.24 1va4 h MET 207 Ca 0.28 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1va4 h MET 207 Cb -0.11 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.37 1va4 h MET 207 CO -0.06 0.51 -0.08 0.00 1.06 0.00 0.00 176.91 178.33 1va4 h ALA 208 N 1.60 1.01 -0.00 6.32 0.00 -1.50 -2.66 119.26 124.01 1va4 h ALA 208 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1va4 h ALA 208 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1va4 h ALA 208 CO -0.10 0.10 -0.33 1.63 0.00 0.00 0.00 179.25 180.55 1va4 n LYS 209 N -3.20 0.43 -2.72 0.00 5.02 -0.08 -4.83 118.16 112.79 1va4 n LYS 209 Ca 0.01 -0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.63 1va4 n LYS 209 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.73 4.32 -0.22 -0.18 1.01 -1.00 -4.87 121.20 117.53 1va4 s ILE 210 Ca 0.19 0.87 0.11 0.00 0.00 0.00 0.00 60.65 61.81 1va4 s ILE 210 Cb 0.19 -4.54 0.43 0.00 0.01 0.00 0.00 42.46 38.54 1va4 s ILE 210 CO 0.59 -0.98 1.22 -0.90 0.00 0.00 0.00 174.94 174.86 1va4 n ASP 211 N 7.57 2.12 -4.35 3.58 5.75 -1.26 -4.49 116.55 125.47 1va4 n ASP 211 Ca 0.08 -3.88 -0.19 0.00 -0.01 0.00 0.00 54.79 50.79 1va4 n ASP 211 Cb 0.49 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.97 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 -3.40 1.78 0.21 2.12 -7.23 -1.26 -5.12 120.40 107.49 1va4 s VAL 212 Ca 0.40 -2.19 -0.32 0.00 -1.81 0.00 0.00 61.98 58.05 1va4 s VAL 212 Cb 0.38 -2.03 -0.14 0.00 0.56 0.00 0.00 36.38 35.14 1va4 s VAL 212 CO -0.06 -0.56 1.33 -2.65 -0.31 0.00 0.00 175.10 172.86 1va4 n PRO 213 N -0.32 1.72 -3.93 4.82 -0.02 -1.26 -4.78 135.00 131.23 1va4 n PRO 213 Ca -0.08 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1va4 n PRO 213 Cb 0.60 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.02 0.11 -0.14 3.45 2.01 -1.26 -1.29 115.64 118.51 1va4 s THR 214 Ca 0.71 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1va4 s THR 214 Cb -0.73 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1va4 s THR 214 CO 0.50 0.07 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.06 1va4 s LEU 215 N 0.36 2.13 -0.26 4.42 2.96 -0.37 -1.36 118.68 126.57 1va4 s LEU 215 Ca -0.03 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.18 1va4 s LEU 215 Cb -0.05 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1va4 s LEU 215 CO -0.01 0.09 0.16 -0.69 -1.32 0.00 0.00 176.35 174.58 1va4 s VAL 216 N 0.78 5.24 -0.04 1.68 1.01 0.60 -1.06 120.40 128.62 1va4 s VAL 216 Ca -0.08 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1va4 s VAL 216 Cb -0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1va4 s VAL 216 CO -0.01 0.31 -0.24 -0.63 0.00 0.00 0.00 175.10 174.52 1va4 s ILE 217 N 1.38 2.17 -0.07 2.22 1.01 -0.62 -0.22 121.20 127.06 1va4 s ILE 217 Ca 0.07 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 1va4 s ILE 217 Cb -0.15 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1va4 s ILE 217 CO 0.07 0.58 0.46 -2.28 0.00 0.00 0.00 174.94 173.77 1va4 s HIS 218 N -0.47 -0.41 0.01 3.97 2.46 -0.81 -1.19 115.29 118.84 1va4 s HIS 218 Ca 0.06 0.80 -0.21 0.00 0.47 0.00 0.00 55.06 56.18 1va4 s HIS 218 Cb -0.11 0.21 -0.05 0.00 -0.13 0.00 0.00 32.58 32.49 1va4 s HIS 218 CO 0.01 -0.41 0.63 0.20 -2.47 0.00 0.00 174.74 172.70 1va4 s GLY 219 N -0.82 2.65 0.00 1.59 0.00 -1.26 -0.80 107.32 108.68 1va4 s GLY 219 Ca -0.09 0.08 0.15 0.00 0.00 0.00 0.00 44.72 44.86 1va4 s GLY 219 CO 0.05 0.81 1.40 2.09 0.00 0.00 0.00 173.10 177.45 1va4 n ASP 220 N 2.72 1.69 -1.49 1.64 5.68 -1.09 -3.01 116.55 122.69 1va4 n ASP 220 Ca -0.06 -1.85 0.08 0.00 -0.50 0.00 0.00 54.79 52.46 1va4 n ASP 220 Cb 0.51 -0.17 0.34 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.07 3.18 3.65 6.12 0.00 -0.43 -4.76 105.19 114.01 1va4 n GLY 221 Ca 0.14 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.12 6.68 0.00 1.61 -1.08 -1.01 -4.45 116.67 117.30 1va4 s ASP 222 Ca 0.49 1.75 0.25 0.00 -0.52 0.00 0.00 52.55 54.52 1va4 s ASP 222 Cb 0.36 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.83 1va4 s ASP 222 CO 0.17 -0.99 1.43 0.00 0.52 0.00 0.00 175.17 176.30 1va4 n GLN 223 N 7.14 0.39 -0.07 4.34 6.02 -1.26 -4.38 117.38 129.55 1va4 n GLN 223 Ca 0.16 -0.24 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 1va4 n GLN 223 Cb 0.45 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.09 1.40 -3.77 5.09 2.08 -1.26 -4.85 119.36 116.95 1va4 n ILE 224 Ca 0.08 0.07 -0.36 0.00 0.56 0.00 0.00 62.75 63.10 1va4 n ILE 224 Cb 0.35 -2.11 -0.11 0.00 -0.75 0.00 0.00 39.64 37.01 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 -2.66 3.34 0.09 1.39 1.01 -1.26 -5.08 120.40 117.23 1va4 s VAL 225 Ca -0.25 -2.30 -0.31 0.00 0.00 0.00 0.00 61.98 59.12 1va4 s VAL 225 Cb 0.05 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 1va4 s VAL 225 CO 0.36 -0.73 1.83 -2.84 0.00 0.00 0.00 175.10 173.71 1va4 s PRO 226 N 0.82 4.15 0.22 2.72 0.02 -1.26 -4.81 135.00 136.86 1va4 s PRO 226 Ca 0.11 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 63.56 1va4 s PRO 226 Cb -0.22 -3.74 0.31 0.00 0.02 0.00 0.00 34.50 30.86 1va4 s PRO 226 CO -0.04 -0.85 1.66 0.35 -0.33 0.00 0.00 177.00 177.79 1va4 h PHE 227 N 9.06 -0.05 0.00 6.54 -0.00 -1.81 -2.56 116.94 128.12 1va4 h PHE 227 Ca -0.46 0.05 -0.02 0.00 -0.00 0.00 0.00 57.97 57.54 1va4 h PHE 227 Cb 1.22 0.12 -0.00 0.00 -0.00 0.00 0.00 35.95 37.29 1va4 h PHE 227 CO 0.83 -0.18 -0.08 0.93 -0.00 0.00 0.00 178.31 179.81 1va4 h GLU 228 N 0.11 0.00 -0.11 1.11 4.39 -1.94 -1.30 114.58 116.85 1va4 h GLU 228 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1va4 h GLU 228 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1va4 h GLU 228 CO -0.55 0.08 0.00 0.25 -1.16 0.00 0.00 179.01 177.63 1va4 n THR 229 N -4.02 0.44 0.00 1.13 -2.24 -1.00 -4.47 114.28 104.11 1va4 n THR 229 Ca -0.03 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1va4 n THR 229 Cb 0.17 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.32 0.00 -0.29 4.28 -2.24 -0.97 -4.65 114.28 110.72 1va4 n THR 230 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 1va4 n THR 230 Cb 0.27 -0.01 0.23 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.37 0.67 3.38 0.00 -1.59 0.11 103.07 107.01 1va4 h GLY 231 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1va4 h GLY 231 CO 0.00 -0.05 0.57 1.70 0.00 0.00 0.00 176.54 178.76 1va4 h LYS 232 N 0.60 0.98 0.21 4.80 3.64 -1.51 -2.14 116.57 123.15 1va4 h LYS 232 Ca 0.46 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.49 1va4 h LYS 232 Cb 0.67 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1va4 h LYS 232 CO -0.37 0.65 -1.28 0.28 -2.27 0.00 0.00 179.45 176.46 1va4 h VAL 233 N 1.01 1.34 -0.99 2.00 2.07 -1.23 -3.28 116.25 117.17 1va4 h VAL 233 Ca 0.41 -2.61 0.06 0.00 0.82 0.00 0.00 66.70 65.38 1va4 h VAL 233 Cb 0.24 3.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 1va4 h VAL 233 CO -0.19 0.78 0.64 0.00 0.02 0.00 0.00 177.57 178.81 1va4 h ALA 234 N 0.16 1.42 0.00 1.67 0.00 -0.73 0.47 119.26 122.25 1va4 h ALA 234 Ca -0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1va4 h ALA 234 Cb 2.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1va4 h ALA 234 CO 0.24 0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 1va4 h ALA 235 N 1.46 1.32 0.11 0.00 0.00 -1.46 -2.12 119.26 118.57 1va4 h ALA 235 Ca 0.42 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1va4 h ALA 235 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1va4 h ALA 235 CO -0.16 0.22 -1.60 0.93 0.00 0.00 0.00 179.25 178.63 1va4 h GLU 236 N 0.00 0.23 0.00 0.00 5.08 -1.20 -3.38 114.58 115.31 1va4 h GLU 236 Ca -0.00 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1va4 h GLU 236 Cb 0.42 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1va4 h GLU 236 CO 0.02 1.07 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.81 1va4 h LEU 237 N 0.06 0.00 -8.83 1.33 3.38 -0.62 -3.42 115.31 107.22 1va4 h LEU 237 Ca -0.27 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.06 1va4 h LEU 237 Cb 2.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.60 1va4 h LEU 237 CO 0.15 0.22 -0.30 -0.63 0.09 0.00 0.00 178.44 177.97 1va4 s ILE 238 N -3.36 5.19 0.05 1.22 1.01 -0.83 -4.51 121.20 119.97 1va4 s ILE 238 Ca 0.03 0.23 -0.35 0.00 0.00 0.00 0.00 60.65 60.57 1va4 s ILE 238 Cb 0.08 -3.74 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 1va4 s ILE 238 CO 0.66 0.03 1.66 0.29 0.00 0.00 0.00 174.94 177.59 1va4 n LYS 239 N 5.32 2.01 -1.01 2.79 5.02 -1.26 -2.08 118.16 128.95 1va4 n LYS 239 Ca -0.10 0.73 -0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1va4 n LYS 239 Cb 0.50 -2.51 -0.00 0.00 -0.02 0.00 0.00 35.03 33.00 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 3.69 0.41 3.78 0.72 0.00 -1.26 -4.89 105.19 107.63 1va4 n GLY 240 Ca 0.19 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.80 2.85 0.00 4.61 0.00 -0.89 -4.65 121.76 121.89 1va4 s ALA 241 Ca 0.00 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 1va4 s ALA 241 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1va4 s ALA 241 CO 0.00 -0.52 0.10 -2.00 0.00 0.00 0.00 175.76 173.34 1va4 s GLU 242 N -3.06 3.11 -0.08 0.00 2.12 -0.47 -4.96 118.70 115.37 1va4 s GLU 242 Ca 0.67 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.57 1va4 s GLU 242 Cb -0.22 -2.89 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1va4 s GLU 242 CO 0.26 0.64 -0.23 -1.17 -0.54 0.00 0.00 175.26 174.22 1va4 s LEU 243 N -1.84 2.05 -0.09 2.70 2.96 -1.26 -0.29 118.68 122.90 1va4 s LEU 243 Ca 0.24 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1va4 s LEU 243 Cb -0.12 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1va4 s LEU 243 CO 0.16 0.17 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.61 1va4 s LYS 244 N 0.22 2.75 -0.23 1.98 1.02 0.70 -4.97 119.74 121.21 1va4 s LYS 244 Ca -0.14 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1va4 s LYS 244 Cb -0.17 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1va4 s LYS 244 CO 0.07 0.14 -0.03 0.08 -0.92 0.00 0.00 175.35 174.69 1va4 s VAL 245 N 0.42 3.42 -0.32 3.17 1.01 -1.26 -1.92 120.40 124.93 1va4 s VAL 245 Ca -0.18 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1va4 s VAL 245 Cb -0.17 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1va4 s VAL 245 CO 0.08 0.38 0.85 -0.31 0.00 0.00 0.00 175.10 176.10 1va4 s TYR 246 N 1.48 3.18 0.14 5.22 2.02 0.02 -4.96 117.35 124.45 1va4 s TYR 246 Ca 0.05 0.87 -0.31 0.00 -0.37 0.00 0.00 57.07 57.31 1va4 s TYR 246 Cb -0.15 -3.35 -0.10 0.00 -0.40 0.00 0.00 41.96 37.96 1va4 s TYR 246 CO -0.03 -0.64 1.71 0.15 -1.57 0.00 0.00 175.55 175.18 1va4 s LYS 247 N 3.14 4.16 -0.47 -0.62 1.02 -1.26 -2.07 119.74 123.64 1va4 s LYS 247 Ca 0.35 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.84 1va4 s LYS 247 Cb -0.14 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1va4 s LYS 247 CO 0.14 -0.75 0.00 -0.25 -0.92 0.00 0.00 175.35 173.57 1va4 n ASP 248 N 4.90 -4.71 -4.78 2.83 8.00 -1.26 -4.91 116.55 116.61 1va4 n ASP 248 Ca 0.16 0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.42 1va4 n ASP 248 Cb 0.38 -3.20 -0.01 0.00 -0.02 0.00 0.00 41.12 38.27 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 -1.23 2.80 0.83 2.24 0.00 -0.88 -4.24 121.76 121.28 1va4 s ALA 249 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1va4 s ALA 249 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1va4 s ALA 249 CO 0.00 -0.61 0.62 -0.35 0.00 0.00 0.00 175.76 175.42 1va4 n PRO 250 N -1.05 -0.32 -0.11 0.00 -0.04 -1.26 -1.32 135.00 130.90 1va4 n PRO 250 Ca 0.10 -1.20 -0.07 0.00 -0.04 0.00 0.00 63.50 62.29 1va4 n PRO 250 Cb 0.51 -0.57 0.01 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.05 0.38 -0.54 0.54 -0.00 -1.77 -3.29 115.15 109.43 1va4 h HIS 251 Ca -0.20 0.01 -0.33 0.00 -0.00 0.00 0.00 60.37 59.85 1va4 h HIS 251 Cb 0.62 -0.12 -0.12 0.00 -0.00 0.00 0.00 27.41 27.79 1va4 h HIS 251 CO 0.00 0.21 0.07 0.41 -0.00 0.00 0.00 177.93 178.62 1va4 n GLY 252 N -1.21 3.69 0.00 5.26 0.00 -0.01 -4.60 105.19 108.33 1va4 n GLY 252 Ca 0.01 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 1.49 0.00 0.26 1.61 1.16 -1.24 -1.82 117.46 118.92 1va4 n PHE 253 Ca 0.42 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 56.12 1va4 n PHE 253 Cb 0.69 -0.47 0.71 0.00 -1.61 0.00 0.00 39.48 38.81 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 2.94 1.29 0.00 1.98 0.00 -1.88 0.15 119.26 123.74 1va4 h ALA 254 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1va4 h ALA 254 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1va4 h ALA 254 CO 0.00 0.15 -0.42 0.28 0.00 0.00 0.00 179.25 179.27 1va4 h VAL 255 N 0.00 0.36 0.00 0.00 2.07 -1.73 -3.32 116.25 113.63 1va4 h VAL 255 Ca -0.00 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 1va4 h VAL 255 Cb 0.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1va4 h VAL 255 CO 0.02 0.12 -0.36 0.71 0.02 0.00 0.00 177.57 178.08 1va4 h THR 256 N -1.00 0.90 -0.84 2.57 1.35 -1.45 -3.17 112.91 111.26 1va4 h THR 256 Ca -0.06 -1.43 -0.50 0.00 -0.55 0.00 0.00 66.41 63.87 1va4 h THR 256 Cb 0.54 1.86 -0.42 0.00 -1.73 0.00 0.00 68.15 68.40 1va4 h THR 256 CO -0.04 0.35 -0.86 1.41 -0.25 0.00 0.00 175.52 176.13 1va4 n HIS 257 N -3.59 2.58 -0.12 4.73 -0.00 0.52 -4.92 115.22 114.40 1va4 n HIS 257 Ca -0.01 -2.38 -0.08 0.00 -0.00 0.00 0.00 57.72 55.25 1va4 n HIS 257 Cb 0.48 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.99 30.19 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 2.34 0.50 -0.24 -1.41 0.00 -1.61 -1.63 119.26 117.21 1va4 h ALA 258 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1va4 h ALA 258 Cb 1.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1va4 h ALA 258 CO 0.68 -0.03 0.09 0.37 0.00 0.00 0.00 179.25 180.36 1va4 h GLN 259 N 0.53 0.37 -0.61 0.00 4.15 -1.89 0.58 115.11 118.23 1va4 h GLN 259 Ca 0.14 -0.07 0.07 0.00 0.77 0.00 0.00 58.65 59.56 1va4 h GLN 259 Cb -0.04 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 1va4 h GLN 259 CO -0.03 0.42 0.29 0.37 -1.93 0.00 0.00 178.83 177.96 1va4 h GLN 260 N 0.23 0.52 -0.34 1.69 4.15 -1.94 -0.48 115.11 118.95 1va4 h GLN 260 Ca 0.08 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1va4 h GLN 260 Cb 0.20 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1va4 h GLN 260 CO -0.01 0.35 -0.07 1.25 -1.93 0.00 0.00 178.83 178.42 1va4 h LEU 261 N 0.54 0.64 -0.40 -2.39 5.85 -0.96 -0.15 115.31 118.44 1va4 h LEU 261 Ca 0.28 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1va4 h LEU 261 Cb 0.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1va4 h LEU 261 CO -0.22 0.85 0.23 0.78 -0.34 0.00 0.00 178.44 179.74 1va4 h ASN 262 N 0.43 0.37 -0.54 1.25 2.35 -0.47 -0.01 115.58 118.95 1va4 h ASN 262 Ca 0.09 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1va4 h ASN 262 Cb 0.56 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1va4 h ASN 262 CO 0.03 0.26 0.11 -0.33 -1.65 0.00 0.00 177.43 175.86 1va4 h GLU 263 N 0.46 0.93 -0.06 0.81 5.08 -0.87 -1.56 114.58 119.38 1va4 h GLU 263 Ca 0.16 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1va4 h GLU 263 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1va4 h GLU 263 CO -0.08 0.85 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.62 1va4 h ASP 264 N 0.89 0.40 -0.27 1.42 3.32 -0.60 -0.92 116.42 120.65 1va4 h ASP 264 Ca 0.19 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1va4 h ASP 264 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1va4 h ASP 264 CO 0.01 0.99 0.07 -0.07 -1.72 0.00 0.00 179.24 178.51 1va4 h LEU 265 N 0.23 0.42 -0.71 1.55 3.38 -0.83 -1.60 115.31 117.74 1va4 h LEU 265 Ca -0.03 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1va4 h LEU 265 Cb 1.29 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1va4 h LEU 265 CO 0.12 0.54 0.45 0.25 0.09 0.00 0.00 178.44 179.89 1va4 h LEU 266 N 0.27 0.74 -0.95 1.67 5.85 -1.11 -1.68 115.31 120.10 1va4 h LEU 266 Ca 0.09 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1va4 h LEU 266 Cb 0.29 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1va4 h LEU 266 CO 0.00 0.51 -0.27 0.00 -0.34 0.00 0.00 178.44 178.35 1va4 h ALA 267 N 1.30 1.11 -0.32 1.25 0.00 -1.06 -1.57 119.26 119.98 1va4 h ALA 267 Ca 0.29 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1va4 h ALA 267 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1va4 h ALA 267 CO -0.11 0.56 -0.10 0.35 0.00 0.00 0.00 179.25 179.95 1va4 h PHE 268 N 0.39 0.71 -0.43 0.00 3.57 -0.91 -2.79 116.94 117.48 1va4 h PHE 268 Ca 0.06 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1va4 h PHE 268 Cb 0.68 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1va4 h PHE 268 CO 0.02 0.82 0.07 -0.07 -2.23 0.00 0.00 178.31 176.92 1va4 h LEU 269 N 0.39 0.62 -1.58 0.59 3.38 -1.00 -2.70 115.31 115.01 1va4 h LEU 269 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1va4 h LEU 269 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1va4 h LEU 269 CO 0.04 0.65 0.00 0.29 0.09 0.00 0.00 178.44 179.51 1va4 n LYS 270 N -4.28 2.14 0.00 1.13 5.02 -0.62 -5.12 118.16 116.43 1va4 n LYS 270 Ca 0.03 -1.34 0.02 0.00 -2.02 0.00 0.00 58.31 55.00 1va4 n LYS 270 Cb 0.23 -1.46 0.13 0.00 -0.02 0.00 0.00 35.03 33.91 1va4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77