#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi4 s THR 2 N 0.00 0.01 0.28 0.44 -4.23 -1.26 -0.90 115.64 109.98 3hi4 s THR 2 Ca 0.00 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.50 3hi4 s THR 2 Cb 0.00 -0.33 -0.06 0.00 1.34 0.00 0.00 72.50 73.45 3hi4 s THR 2 CO 0.00 -0.04 -0.03 0.72 -0.54 0.00 0.00 174.62 174.73 3hi4 s PHE 3 N -0.05 1.92 -0.23 3.99 -0.12 -0.52 -4.96 117.98 118.01 3hi4 s PHE 3 Ca -0.02 -0.76 -0.06 0.00 -0.05 0.00 0.00 56.93 56.04 3hi4 s PHE 3 Cb -0.02 -1.13 -0.02 0.00 -0.63 0.00 0.00 43.02 41.22 3hi4 s PHE 3 CO 0.01 0.21 0.03 0.08 -0.05 0.00 0.00 175.22 175.50 3hi4 s VAL 4 N -3.09 4.08 1.03 -2.49 1.01 -1.26 -0.91 120.40 118.77 3hi4 s VAL 4 Ca 0.30 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 3hi4 s VAL 4 Cb 0.05 -2.88 0.21 0.00 0.00 0.00 0.00 36.38 33.75 3hi4 s VAL 4 CO 0.12 0.38 1.09 0.00 0.00 0.00 0.00 175.10 176.68 3hi4 s ALA 5 N 1.40 0.70 0.28 5.51 0.00 0.31 -4.86 121.76 125.10 3hi4 s ALA 5 Ca 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3hi4 s ALA 5 Cb -0.15 -3.12 0.39 0.00 0.00 0.00 0.00 23.12 20.24 3hi4 s ALA 5 CO 0.02 -3.03 1.91 0.87 0.00 0.00 0.00 175.76 175.53 3hi4 h LYS 6 N -2.03 1.05 0.00 0.00 1.79 -1.94 0.04 116.57 115.47 3hi4 h LYS 6 Ca -0.56 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 3hi4 h LYS 6 Cb 1.34 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3hi4 h LYS 6 CO 0.57 0.77 0.00 -0.40 -1.08 0.00 0.00 179.45 179.31 3hi4 n ASP 7 N -4.36 0.00 0.00 0.86 5.68 -1.26 -4.88 116.55 112.59 3hi4 n ASP 7 Ca 0.08 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 3hi4 n ASP 7 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3hi4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hi4 n GLY 8 N 0.25 3.15 3.68 6.12 0.00 -0.00 -5.05 105.19 113.35 3hi4 n GLY 8 Ca 0.07 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.58 3hi4 n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hi4 n THR 9 N -2.00 0.40 -2.95 2.61 -1.04 -1.26 -4.56 114.28 105.48 3hi4 n THR 9 Ca 0.00 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 3hi4 n THR 9 Cb 0.00 -1.58 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 3hi4 n THR 9 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3hi4 s GLN 10 N 3.35 4.29 -0.17 -2.82 0.74 -1.26 0.11 119.66 123.90 3hi4 s GLN 10 Ca 0.92 0.91 -0.01 0.00 0.05 0.00 0.00 55.36 57.24 3hi4 s GLN 10 Cb -0.82 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 29.72 3hi4 s GLN 10 CO 0.54 -0.28 -0.12 0.42 -0.55 0.00 0.00 175.29 175.30 3hi4 s ILE 11 N 2.01 2.96 0.23 -2.34 -1.09 -0.08 -0.71 121.20 122.18 3hi4 s ILE 11 Ca 0.36 -0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 57.82 3hi4 s ILE 11 Cb -0.16 -2.28 -0.09 0.00 -1.58 0.00 0.00 42.46 38.35 3hi4 s ILE 11 CO 0.12 0.49 1.05 -0.47 -1.23 0.00 0.00 174.94 174.91 3hi4 s TYR 12 N 0.87 3.69 0.05 3.97 5.04 -1.26 -1.44 117.35 128.28 3hi4 s TYR 12 Ca -0.03 1.73 -0.12 0.00 -2.44 0.00 0.00 57.07 56.20 3hi4 s TYR 12 Cb -0.15 -3.20 0.01 0.00 0.35 0.00 0.00 41.96 38.98 3hi4 s TYR 12 CO -0.00 -0.29 0.27 -0.59 -1.34 0.00 0.00 175.55 173.60 3hi4 s PHE 13 N -0.82 -0.04 0.00 4.97 -0.71 -0.08 0.05 117.98 121.35 3hi4 s PHE 13 Ca 0.45 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 3hi4 s PHE 13 Cb -0.29 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 3hi4 s PHE 13 CO 0.36 -0.50 -0.03 0.15 -1.34 0.00 0.00 175.22 173.86 3hi4 s LYS 14 N -2.77 2.66 -0.26 1.99 1.02 0.31 -1.42 119.74 121.27 3hi4 s LYS 14 Ca -0.03 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.26 3hi4 s LYS 14 Cb -0.00 -2.58 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 3hi4 s LYS 14 CO -0.05 0.61 0.07 0.34 -0.92 0.00 0.00 175.35 175.41 3hi4 s ASP 15 N -1.51 3.50 -0.08 2.83 -1.08 -1.26 -1.13 116.67 117.94 3hi4 s ASP 15 Ca 0.18 -1.24 0.04 0.00 -0.52 0.00 0.00 52.55 51.01 3hi4 s ASP 15 Cb -0.11 -0.68 -0.01 0.00 -1.46 0.00 0.00 42.92 40.66 3hi4 s ASP 15 CO 0.09 -0.37 -0.22 0.26 0.52 0.00 0.00 175.17 175.45 3hi4 s TRP 16 N 1.79 2.55 0.00 -5.34 0.51 0.11 -4.97 118.94 113.59 3hi4 s TRP 16 Ca 0.05 -0.71 0.00 0.00 -2.12 0.00 0.00 56.10 53.32 3hi4 s TRP 16 Cb -0.17 -1.66 0.00 0.00 -0.81 0.00 0.00 33.47 30.83 3hi4 s TRP 16 CO -0.20 -0.21 0.00 0.41 -0.51 0.00 0.00 176.95 176.44 3hi4 n GLY 17 N 3.08 -1.77 3.28 0.98 0.00 -1.26 -0.96 105.19 108.54 3hi4 n GLY 17 Ca -0.18 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 3hi4 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hi4 s SER 18 N -4.00 0.05 0.00 1.61 1.04 -1.23 -4.73 113.70 106.44 3hi4 s SER 18 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3hi4 s SER 18 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3hi4 s SER 18 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3hi4 n GLY 19 N -0.15 -0.18 3.75 7.32 0.00 -1.26 -2.92 105.19 111.75 3hi4 n GLY 19 Ca -0.12 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 3hi4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hi4 s LYS 20 N 0.00 4.34 0.19 1.61 -0.14 -1.26 -4.07 119.74 120.41 3hi4 s LYS 20 Ca 0.00 2.20 -0.18 0.00 -1.36 0.00 0.00 55.97 56.63 3hi4 s LYS 20 Cb 0.00 -3.11 -0.08 0.00 -1.68 0.00 0.00 37.83 32.96 3hi4 s LYS 20 CO 0.00 -0.28 0.66 -1.25 -0.76 0.00 0.00 175.35 173.73 3hi4 s PRO 21 N -0.93 4.16 -0.11 -1.68 0.04 -1.26 -0.69 135.00 134.53 3hi4 s PRO 21 Ca 0.54 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.33 3hi4 s PRO 21 Cb -0.40 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3hi4 s PRO 21 CO 0.46 0.43 -0.09 0.08 0.04 0.00 0.00 177.00 177.92 3hi4 s VAL 22 N -1.49 1.13 -0.17 -0.36 1.01 0.14 -1.61 120.40 119.05 3hi4 s VAL 22 Ca 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3hi4 s VAL 22 Cb -0.16 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3hi4 s VAL 22 CO 0.20 0.38 -0.13 -0.22 0.00 0.00 0.00 175.10 175.33 3hi4 s LEU 23 N 1.53 2.56 -0.14 3.92 0.20 -0.40 -0.56 118.68 125.79 3hi4 s LEU 23 Ca 0.02 -0.45 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 3hi4 s LEU 23 Cb -0.13 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 3hi4 s LEU 23 CO -0.07 0.06 0.05 -0.36 -0.29 0.00 0.00 176.35 175.75 3hi4 s PHE 24 N 0.96 3.28 -0.26 5.38 0.40 0.71 -0.49 117.98 127.97 3hi4 s PHE 24 Ca -0.02 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3hi4 s PHE 24 Cb -0.15 -1.96 0.05 0.00 0.51 0.00 0.00 43.02 41.47 3hi4 s PHE 24 CO -0.02 0.35 -0.08 0.45 0.70 0.00 0.00 175.22 176.63 3hi4 s SER 25 N -0.27 4.40 0.95 1.36 0.15 0.18 -3.82 113.70 116.66 3hi4 s SER 25 Ca 0.08 -1.18 -0.14 0.00 0.70 0.00 0.00 55.95 55.42 3hi4 s SER 25 Cb -0.12 -1.61 0.16 0.00 -1.71 0.00 0.00 66.02 62.74 3hi4 s SER 25 CO 0.02 -0.18 1.16 -1.38 1.20 0.00 0.00 173.24 174.06 3hi4 s HIS 26 N 1.21 2.14 0.17 3.44 -3.43 -1.26 -1.25 115.29 116.31 3hi4 s HIS 26 Ca -0.05 0.72 0.03 0.00 -0.80 0.00 0.00 55.06 54.96 3hi4 s HIS 26 Cb -0.18 -3.51 0.03 0.00 -1.43 0.00 0.00 32.58 27.48 3hi4 s HIS 26 CO -0.05 -2.58 0.22 0.41 -2.00 0.00 0.00 174.74 170.75 3hi4 n GLY 27 N -2.33 2.10 3.87 -1.38 0.00 -1.19 -3.29 105.19 102.97 3hi4 n GLY 27 Ca 0.09 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 3hi4 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hi4 s TRP 28 N -0.20 3.62 -0.92 1.61 -0.00 -1.26 -1.51 118.94 120.28 3hi4 s TRP 28 Ca 0.17 0.75 0.00 0.00 -0.00 0.00 0.00 56.10 57.02 3hi4 s TRP 28 Cb -0.01 -2.12 0.31 0.00 -0.00 0.00 0.00 33.47 31.65 3hi4 s TRP 28 CO 0.11 0.60 1.43 -0.35 -0.00 0.00 0.00 176.95 178.74 3hi4 n PRO 29 N 1.33 4.40 0.00 5.86 -0.04 -1.26 -5.02 135.00 140.27 3hi4 n PRO 29 Ca -0.12 -4.67 0.00 0.00 -0.04 0.00 0.00 63.50 58.67 3hi4 n PRO 29 Cb 0.53 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3hi4 n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hi4 n LEU 30 N 0.44 0.00 0.00 1.53 4.77 -0.57 -3.93 117.00 119.24 3hi4 n LEU 30 Ca 0.36 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 3hi4 n LEU 30 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hi4 n LEU 30 CO 0.54 0.00 0.09 -0.90 -1.33 0.00 0.00 177.39 175.79 3hi4 n ASP 31 N 0.00 -0.29 0.25 -1.43 5.68 -1.26 -4.29 116.55 115.20 3hi4 n ASP 31 Ca 0.00 -1.18 0.17 0.00 -0.50 0.00 0.00 54.79 53.27 3hi4 n ASP 31 Cb 0.00 0.48 0.81 0.00 -1.14 0.00 0.00 41.12 41.27 3hi4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hi4 h ALA 32 N 2.00 1.00 0.00 2.12 0.00 -1.90 -1.93 119.26 120.55 3hi4 h ALA 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hi4 h ALA 32 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hi4 h ALA 32 CO 0.06 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.87 3hi4 h ASP 33 N 0.00 0.00 0.52 0.00 3.32 -1.95 -1.26 116.42 117.05 3hi4 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hi4 h ASP 33 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hi4 h ASP 33 CO 0.00 0.00 0.00 1.15 -1.72 0.00 0.00 179.24 178.67 3hi4 n MET 34 N -2.34 0.16 -0.14 3.56 0.00 -0.73 -2.47 117.12 115.18 3hi4 n MET 34 Ca 0.02 0.46 0.12 0.00 0.00 0.00 0.00 57.70 58.30 3hi4 n MET 34 Cb 0.21 -1.86 0.18 0.00 0.00 0.00 0.00 33.22 31.76 3hi4 n MET 34 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3hi4 n TRP 35 N -2.17 0.36 0.24 3.17 7.02 -0.47 -4.68 117.44 120.91 3hi4 n TRP 35 Ca 0.01 -0.18 0.12 0.00 -1.02 0.00 0.00 57.50 56.43 3hi4 n TRP 35 Cb 0.17 -0.00 0.74 0.00 -2.42 0.00 0.00 31.31 29.80 3hi4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3hi4 h GLU 36 N 4.50 0.00 0.09 -0.99 4.11 -1.60 0.18 114.58 120.88 3hi4 h GLU 36 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 3hi4 h GLU 36 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3hi4 h GLU 36 CO 0.00 0.00 -1.50 1.88 0.07 0.00 0.00 179.01 179.46 3hi4 h TYR 37 N 0.00 0.34 -0.45 2.06 0.05 -1.85 -1.20 116.97 115.92 3hi4 h TYR 37 Ca 0.03 -0.25 -0.09 0.00 0.05 0.00 0.00 58.73 58.47 3hi4 h TYR 37 Cb 0.13 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3hi4 h TYR 37 CO 0.00 1.30 -0.09 1.96 -1.05 0.00 0.00 178.16 180.28 3hi4 h GLN 38 N 0.05 0.85 0.32 4.88 7.50 -1.68 -1.24 115.11 125.80 3hi4 h GLN 38 Ca -0.22 -0.32 -0.00 0.00 0.50 0.00 0.00 58.65 58.61 3hi4 h GLN 38 Cb 1.99 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 29.45 3hi4 h GLN 38 CO 0.15 0.95 -0.27 0.52 -1.50 0.00 0.00 178.83 178.67 3hi4 h MET 39 N 0.69 -0.59 -0.52 1.46 2.86 -0.67 -1.37 114.93 116.79 3hi4 h MET 39 Ca 0.12 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 3hi4 h MET 39 Cb 0.62 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 3hi4 h MET 39 CO 0.04 -0.39 0.14 1.49 1.06 0.00 0.00 176.91 179.25 3hi4 h GLU 40 N -0.61 0.28 -0.09 1.72 4.22 -1.22 0.11 114.58 118.99 3hi4 h GLU 40 Ca -0.02 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.42 3hi4 h GLU 40 Cb 0.54 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3hi4 h GLU 40 CO -0.03 0.18 -0.02 -0.92 -2.18 0.00 0.00 179.01 176.05 3hi4 h TYR 41 N 0.29 -0.05 0.05 0.92 3.20 -1.08 -2.02 116.97 118.28 3hi4 h TYR 41 Ca 0.26 0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.86 3hi4 h TYR 41 Cb 0.34 0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.67 3hi4 h TYR 41 CO -0.21 -0.04 -1.13 -0.07 -1.64 0.00 0.00 178.16 175.07 3hi4 h LEU 42 N 0.00 0.88 -1.25 2.82 3.38 -1.05 -3.22 115.31 116.87 3hi4 h LEU 42 Ca 0.04 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3hi4 h LEU 42 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hi4 h LEU 42 CO -0.09 1.56 0.00 0.28 0.09 0.00 0.00 178.44 180.27 3hi4 h SER 43 N 0.34 0.00 -0.21 -0.43 0.02 -0.79 -0.93 113.55 111.55 3hi4 h SER 43 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3hi4 h SER 43 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 3hi4 h SER 43 CO 0.22 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.37 3hi4 n SER 44 N -2.93 2.09 -0.90 3.07 3.41 -0.76 -3.55 113.62 114.04 3hi4 n SER 44 Ca 0.01 -1.78 0.01 0.00 -0.26 0.00 0.00 58.87 56.85 3hi4 n SER 44 Cb 0.30 -0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.29 3hi4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hi4 n ARG 45 N 0.60 1.81 -1.02 4.33 1.74 -0.40 -5.01 116.66 118.72 3hi4 n ARG 45 Ca 0.17 -3.37 -0.01 0.00 -0.77 0.00 0.00 57.85 53.88 3hi4 n ARG 45 Cb 0.40 -1.62 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3hi4 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hi4 n GLY 46 N -0.95 0.43 3.56 -0.13 0.00 -1.13 -5.00 105.19 101.96 3hi4 n GLY 46 Ca 0.22 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 3hi4 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hi4 s TYR 47 N -2.02 2.55 -0.20 1.61 2.02 -0.94 -4.34 117.35 116.02 3hi4 s TYR 47 Ca 0.00 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 3hi4 s TYR 47 Cb 0.00 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3hi4 s TYR 47 CO 0.00 0.57 0.26 0.50 -1.57 0.00 0.00 175.55 175.31 3hi4 s ARG 48 N -3.15 4.16 -0.06 -0.62 3.52 0.14 -3.54 118.95 119.41 3hi4 s ARG 48 Ca 0.27 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 3hi4 s ARG 48 Cb -0.07 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3hi4 s ARG 48 CO 0.16 0.11 -0.20 0.95 -0.81 0.00 0.00 175.30 175.50 3hi4 s THR 49 N 0.90 2.54 -0.04 4.11 -4.23 -0.14 -0.68 115.64 118.10 3hi4 s THR 49 Ca 0.13 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 3hi4 s THR 49 Cb -0.13 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.75 3hi4 s THR 49 CO 0.04 0.57 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.99 3hi4 s ILE 50 N -0.33 0.75 -0.11 2.99 1.01 0.27 0.08 121.20 125.86 3hi4 s ILE 50 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3hi4 s ILE 50 Cb -0.13 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.68 3hi4 s ILE 50 CO 0.02 0.26 0.27 0.00 0.00 0.00 0.00 174.94 175.49 3hi4 s ALA 51 N 0.55 -0.63 0.24 9.38 0.00 -0.28 -0.20 121.76 130.82 3hi4 s ALA 51 Ca -0.09 1.03 0.08 0.00 0.00 0.00 0.00 51.96 52.98 3hi4 s ALA 51 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3hi4 s ALA 51 CO 0.01 -0.19 0.07 -0.59 0.00 0.00 0.00 175.76 175.05 3hi4 s PHE 52 N 1.11 2.87 -0.23 0.00 -0.71 -1.25 -0.53 117.98 119.24 3hi4 s PHE 52 Ca -0.08 -0.16 -0.20 0.00 -1.04 0.00 0.00 56.93 55.45 3hi4 s PHE 52 Cb -0.09 -1.30 -0.02 0.00 -1.21 0.00 0.00 43.02 40.39 3hi4 s PHE 52 CO -0.08 0.57 0.59 -0.51 -1.34 0.00 0.00 175.22 174.45 3hi4 s ASP 53 N -3.59 6.58 0.55 1.98 1.01 0.11 -3.81 116.67 119.49 3hi4 s ASP 53 Ca 0.31 0.70 -0.21 0.00 0.71 0.00 0.00 52.55 54.06 3hi4 s ASP 53 Cb -0.07 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 3hi4 s ASP 53 CO 0.21 -0.30 1.24 -1.14 0.21 0.00 0.00 175.17 175.40 3hi4 n ARG 54 N 5.34 1.48 -1.49 8.23 0.63 -1.26 -4.38 116.66 125.22 3hi4 n ARG 54 Ca -0.02 0.55 -0.57 0.00 -0.92 0.00 0.00 57.85 56.88 3hi4 n ARG 54 Cb 0.50 -2.44 -0.07 0.00 0.45 0.00 0.00 32.46 30.90 3hi4 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3hi4 n ARG 55 N -0.91 0.07 -0.06 -0.14 1.85 -1.26 -0.93 116.66 115.27 3hi4 n ARG 55 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3hi4 n ARG 55 Cb 0.45 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 3hi4 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hi4 n GLY 56 N 1.61 0.92 3.33 2.89 0.00 0.23 -4.97 105.19 109.21 3hi4 n GLY 56 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3hi4 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hi4 s PHE 57 N -2.39 1.86 0.00 1.61 0.40 -0.11 -0.22 117.98 119.13 3hi4 s PHE 57 Ca 0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3hi4 s PHE 57 Cb 0.00 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.58 3hi4 s PHE 57 CO 0.00 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.65 3hi4 n GLY 58 N 0.47 3.68 0.63 4.36 0.00 -1.26 -1.71 105.19 111.36 3hi4 n GLY 58 Ca -0.15 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3hi4 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hi4 n ARG 59 N 14.00 1.86 -1.80 1.61 1.74 -1.26 -4.62 116.66 128.19 3hi4 n ARG 59 Ca 0.00 -1.26 -0.31 0.00 -0.77 0.00 0.00 57.85 55.51 3hi4 n ARG 59 Cb 0.00 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 3hi4 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3hi4 s SER 60 N -1.84 5.88 0.84 0.55 0.01 -0.69 -4.60 113.70 113.84 3hi4 s SER 60 Ca 0.35 1.54 -0.14 0.00 1.31 0.00 0.00 55.95 59.01 3hi4 s SER 60 Cb 0.20 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.98 3hi4 s SER 60 CO 0.31 -1.10 0.77 0.47 0.41 0.00 0.00 173.24 174.10 3hi4 n ASP 61 N -2.78 -0.57 -3.72 2.44 8.00 0.12 -4.56 116.55 115.48 3hi4 n ASP 61 Ca 0.07 0.50 -0.33 0.00 0.71 0.00 0.00 54.79 55.73 3hi4 n ASP 61 Cb 0.54 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 3hi4 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hi4 n GLN 62 N -2.19 3.16 -2.29 -1.24 6.02 -1.26 -0.60 117.38 118.99 3hi4 n GLN 62 Ca 0.10 -4.61 -0.36 0.00 -0.01 0.00 0.00 57.00 52.13 3hi4 n GLN 62 Cb 0.51 -2.36 -0.01 0.00 1.02 0.00 0.00 30.24 29.40 3hi4 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hi4 s PRO 63 N -2.41 3.61 0.33 -1.09 0.04 -1.26 -4.92 135.00 129.30 3hi4 s PRO 63 Ca 0.35 1.67 0.10 0.00 0.04 0.00 0.00 61.00 63.16 3hi4 s PRO 63 Cb 0.08 -2.22 0.59 0.00 0.04 0.00 0.00 34.50 32.99 3hi4 s PRO 63 CO 0.01 -0.66 1.77 2.35 0.04 0.00 0.00 177.00 180.51 3hi4 h TRP 64 N 1.68 0.15 -2.55 0.56 2.91 -2.01 -3.46 115.95 113.23 3hi4 h TRP 64 Ca -0.50 -0.04 -0.59 0.00 1.13 0.00 0.00 58.89 58.90 3hi4 h TRP 64 Cb 1.25 -0.03 -0.11 0.00 -0.51 0.00 0.00 29.16 29.75 3hi4 h TRP 64 CO 0.53 0.49 -0.68 0.95 -1.03 0.00 0.00 178.44 178.70 3hi4 s THR 65 N -4.19 3.36 0.00 2.65 -4.23 -1.26 -4.64 115.64 107.32 3hi4 s THR 65 Ca -0.04 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3hi4 s THR 65 Cb 0.14 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3hi4 s THR 65 CO 0.75 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 3hi4 n GLY 66 N -0.48 0.81 2.72 3.99 0.00 -1.26 -4.98 105.19 105.99 3hi4 n GLY 66 Ca -0.08 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3hi4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hi4 n ASN 67 N 0.39 5.23 -3.68 1.61 3.02 -1.26 -4.50 115.26 116.07 3hi4 n ASN 67 Ca 0.00 -2.95 -0.10 0.00 -0.03 0.00 0.00 54.58 51.50 3hi4 n ASN 67 Cb 0.00 -1.55 -0.04 0.00 -0.61 0.00 0.00 39.78 37.58 3hi4 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3hi4 s ASP 68 N 1.90 -0.28 0.33 6.41 1.47 -1.26 -4.57 116.67 120.67 3hi4 s ASP 68 Ca 0.47 -0.39 0.06 0.00 1.18 0.00 0.00 52.55 53.87 3hi4 s ASP 68 Cb 0.13 0.54 0.60 0.00 -0.34 0.00 0.00 42.92 43.85 3hi4 s ASP 68 CO -0.05 -0.98 1.83 1.88 0.68 0.00 0.00 175.17 178.53 3hi4 h TYR 69 N 2.24 0.41 -0.39 2.11 0.05 -1.92 0.43 116.97 119.89 3hi4 h TYR 69 Ca -0.31 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.27 3hi4 h TYR 69 Cb 1.26 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3hi4 h TYR 69 CO 0.33 0.53 -0.28 -0.44 -1.05 0.00 0.00 178.16 177.25 3hi4 h ASP 70 N 0.35 0.93 -0.45 3.88 3.32 -1.97 0.16 116.42 122.64 3hi4 h ASP 70 Ca 0.07 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3hi4 h ASP 70 Cb 0.49 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3hi4 h ASP 70 CO 0.03 1.17 0.24 0.74 -1.72 0.00 0.00 179.24 179.70 3hi4 h THR 71 N 0.70 1.16 -0.89 0.35 2.02 -1.72 -1.25 112.91 113.28 3hi4 h THR 71 Ca 0.08 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3hi4 h THR 71 Cb 0.86 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3hi4 h THR 71 CO 0.08 0.17 0.54 -0.26 0.37 0.00 0.00 175.52 176.42 3hi4 h PHE 72 N 0.59 1.17 -0.48 3.16 0.04 0.42 0.19 116.94 122.03 3hi4 h PHE 72 Ca 0.16 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 3hi4 h PHE 72 Cb 0.06 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3hi4 h PHE 72 CO -0.02 0.77 -0.22 0.00 -0.60 0.00 0.00 178.31 178.25 3hi4 h ALA 73 N 1.37 0.67 -0.18 2.45 0.00 -0.60 -2.22 119.26 120.76 3hi4 h ALA 73 Ca 0.32 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3hi4 h ALA 73 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hi4 h ALA 73 CO -0.06 0.66 -0.51 -0.44 0.00 0.00 0.00 179.25 178.90 3hi4 h ASP 74 N 0.85 0.54 -0.49 0.00 3.32 -0.19 -1.70 116.42 118.75 3hi4 h ASP 74 Ca 0.11 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 56.97 3hi4 h ASP 74 Cb 0.80 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.13 3hi4 h ASP 74 CO 0.07 0.95 0.10 0.44 -1.72 0.00 0.00 179.24 179.08 3hi4 h ASP 75 N 0.38 -0.00 -0.46 6.45 3.32 -0.50 0.17 116.42 125.79 3hi4 h ASP 75 Ca 0.01 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3hi4 h ASP 75 Cb 1.03 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3hi4 h ASP 75 CO 0.09 0.03 0.14 0.40 -1.72 0.00 0.00 179.24 178.18 3hi4 h ILE 76 N 0.23 1.21 -0.64 0.35 2.04 -0.96 -1.21 117.51 118.54 3hi4 h ILE 76 Ca 0.25 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3hi4 h ILE 76 Cb 0.33 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3hi4 h ILE 76 CO -0.32 0.28 0.16 0.00 0.00 0.00 0.00 178.15 178.26 3hi4 h ALA 77 N 1.40 0.85 -0.78 1.87 0.00 -0.63 0.20 119.26 122.17 3hi4 h ALA 77 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hi4 h ALA 77 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hi4 h ALA 77 CO -0.01 0.56 0.32 1.96 0.00 0.00 0.00 179.25 182.09 3hi4 h GLN 78 N 0.95 1.15 -0.04 0.00 4.20 -0.54 0.36 115.11 121.20 3hi4 h GLN 78 Ca 0.20 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3hi4 h GLN 78 Cb 0.36 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3hi4 h GLN 78 CO 0.00 0.92 -0.00 1.25 -0.67 0.00 0.00 178.83 180.34 3hi4 h LEU 79 N 1.13 0.07 -0.63 1.46 5.85 -0.64 0.20 115.31 122.75 3hi4 h LEU 79 Ca 0.26 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.77 3hi4 h LEU 79 Cb 0.19 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 3hi4 h LEU 79 CO -0.02 0.37 0.23 0.40 -0.34 0.00 0.00 178.44 179.07 3hi4 h ILE 80 N -0.22 0.74 -0.06 4.05 2.04 -0.78 -1.85 117.51 121.42 3hi4 h ILE 80 Ca 0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3hi4 h ILE 80 Cb 0.33 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hi4 h ILE 80 CO 0.00 0.07 -0.02 -0.33 0.00 0.00 0.00 178.15 177.88 3hi4 h GLU 81 N 0.40 0.12 -0.98 2.37 5.08 -0.70 -0.47 114.58 120.39 3hi4 h GLU 81 Ca 0.32 -0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.90 3hi4 h GLU 81 Cb 0.42 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 3hi4 h GLU 81 CO -0.33 0.46 0.54 1.25 -1.00 0.00 0.00 179.01 179.93 3hi4 h HIS 82 N -0.23 0.91 -0.02 4.33 2.76 -0.38 0.30 115.15 122.81 3hi4 h HIS 82 Ca 0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3hi4 h HIS 82 Cb 0.42 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.13 3hi4 h HIS 82 CO 0.05 -0.03 -0.22 1.28 -1.30 0.00 0.00 177.93 177.72 3hi4 n LEU 83 N -4.97 2.12 -3.73 0.26 4.77 -0.72 -4.97 117.00 109.76 3hi4 n LEU 83 Ca 0.27 -0.73 -0.22 0.00 -0.03 0.00 0.00 56.01 55.30 3hi4 n LEU 83 Cb 0.79 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.89 3hi4 n LEU 83 CO 0.14 0.37 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.84 3hi4 n ASP 84 N 0.36 -1.54 -4.75 -1.43 2.03 0.09 -4.93 116.55 106.38 3hi4 n ASP 84 Ca 0.13 -0.82 -0.41 0.00 0.52 0.00 0.00 54.79 54.21 3hi4 n ASP 84 Cb 0.48 -4.00 -0.03 0.00 -0.72 0.00 0.00 41.12 36.84 3hi4 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hi4 s LEU 85 N -6.76 4.48 0.11 -2.67 1.43 -0.49 -5.03 118.68 109.75 3hi4 s LEU 85 Ca 0.08 2.39 0.07 0.00 -1.03 0.00 0.00 54.13 55.64 3hi4 s LEU 85 Cb -0.04 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3hi4 s LEU 85 CO 0.82 -0.35 -0.17 -0.54 0.23 0.00 0.00 176.35 176.34 3hi4 s LYS 86 N -1.08 1.06 -1.51 1.70 1.02 -1.26 -4.83 119.74 114.84 3hi4 s LYS 86 Ca 0.49 -1.19 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 3hi4 s LYS 86 Cb -0.35 -1.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 3hi4 s LYS 86 CO 0.43 0.24 0.57 0.39 -0.92 0.00 0.00 175.35 176.06 3hi4 n GLU 87 N 0.80 -4.58 -2.76 1.68 1.02 -0.47 -4.55 120.64 111.79 3hi4 n GLU 87 Ca -0.17 0.83 -0.40 0.00 -0.02 0.00 0.00 57.16 57.40 3hi4 n GLU 87 Cb 0.55 -5.67 -0.06 0.00 -0.02 0.00 0.00 31.44 26.25 3hi4 n GLU 87 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hi4 s VAL 88 N -3.13 4.16 -0.22 2.62 0.11 0.24 -4.18 120.40 120.00 3hi4 s VAL 88 Ca 0.31 2.07 -0.13 0.00 -2.93 0.00 0.00 61.98 61.30 3hi4 s VAL 88 Cb -0.15 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 3hi4 s VAL 88 CO 0.39 0.47 0.29 -0.89 -3.33 0.00 0.00 175.10 172.03 3hi4 s THR 89 N -0.98 5.27 -0.15 5.04 2.01 -0.63 0.34 115.64 126.54 3hi4 s THR 89 Ca 0.42 0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 3hi4 s THR 89 Cb -0.25 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3hi4 s THR 89 CO 0.31 0.30 0.25 -0.76 -0.69 0.00 0.00 174.62 174.04 3hi4 s LEU 90 N 1.16 4.27 -0.17 4.42 1.43 -0.04 -1.27 118.68 128.47 3hi4 s LEU 90 Ca 0.14 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3hi4 s LEU 90 Cb -0.14 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3hi4 s LEU 90 CO 0.06 0.17 -0.11 -0.69 0.23 0.00 0.00 176.35 176.01 3hi4 s VAL 91 N 0.14 1.52 -0.07 -1.59 1.01 0.36 -0.29 120.40 121.47 3hi4 s VAL 91 Ca 0.15 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3hi4 s VAL 91 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3hi4 s VAL 91 CO 0.04 0.27 -0.21 -0.83 0.00 0.00 0.00 175.10 174.37 3hi4 s GLY 92 N 1.47 1.39 -0.14 4.51 0.00 -0.62 0.51 107.32 114.44 3hi4 s GLY 92 Ca 0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.73 3hi4 s GLY 92 CO -0.09 -0.58 -0.13 -0.12 0.00 0.00 0.00 173.10 172.18 3hi4 s PHE 93 N -0.17 2.81 0.00 1.90 5.36 -0.38 -0.70 117.98 126.80 3hi4 s PHE 93 Ca -0.02 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 3hi4 s PHE 93 Cb -0.14 -1.87 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 3hi4 s PHE 93 CO 0.04 -0.30 0.00 0.45 -1.46 0.00 0.00 175.22 173.95 3hi4 n SER 94 N 3.73 0.00 0.28 6.13 2.88 0.14 -0.01 113.62 126.76 3hi4 n SER 94 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.54 3hi4 n SER 94 Cb 0.52 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.91 3hi4 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hi4 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.85 -0.73 114.93 110.89 3hi4 h MET 95 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hi4 h MET 95 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3hi4 h MET 95 CO 0.00 0.00 -0.01 0.78 -0.00 0.00 0.00 176.91 177.68 3hi4 h GLY 96 N 0.75 0.00 1.56 -3.00 0.00 -0.42 -1.89 103.07 100.07 3hi4 h GLY 96 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hi4 h GLY 96 CO 0.00 0.00 0.07 -1.33 0.00 0.00 0.00 176.54 175.28 3hi4 h GLY 97 N 2.26 0.60 1.34 4.60 0.00 -1.20 -3.19 103.07 107.48 3hi4 h GLY 97 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3hi4 h GLY 97 CO 0.00 0.31 -0.29 -1.33 0.00 0.00 0.00 176.54 175.23 3hi4 h GLY 98 N 0.80 0.81 2.00 4.60 0.00 -1.48 -2.11 103.07 107.69 3hi4 h GLY 98 Ca 0.13 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 3hi4 h GLY 98 CO 0.00 0.67 -0.67 1.29 0.00 0.00 0.00 176.54 177.83 3hi4 h ASP 99 N 0.64 0.00 0.00 0.19 3.04 -1.60 0.09 116.42 118.77 3hi4 h ASP 99 Ca 0.08 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.70 3hi4 h ASP 99 Cb 0.81 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.09 3hi4 h ASP 99 CO 0.07 0.67 -0.56 -0.37 -2.04 0.00 0.00 179.24 177.01 3hi4 h VAL 100 N 0.00 1.32 0.15 4.15 -1.51 -1.54 0.14 116.25 118.95 3hi4 h VAL 100 Ca -0.01 -1.80 -0.01 0.00 -1.23 0.00 0.00 66.70 63.65 3hi4 h VAL 100 Cb 1.48 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 3hi4 h VAL 100 CO 0.09 0.56 -0.07 0.00 -1.23 0.00 0.00 177.57 176.92 3hi4 h ALA 101 N 0.94 -0.20 0.00 5.19 0.00 -1.31 -2.53 119.26 121.34 3hi4 h ALA 101 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hi4 h ALA 101 Cb 1.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hi4 h ALA 101 CO 0.11 -0.51 -0.22 -0.09 0.00 0.00 0.00 179.25 178.54 3hi4 h ARG 102 N -0.39 0.00 0.00 0.00 9.65 -0.98 -1.26 114.38 121.40 3hi4 h ARG 102 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3hi4 h ARG 102 Cb 0.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3hi4 h ARG 102 CO 0.03 0.22 -0.00 -0.92 2.80 0.00 0.00 179.97 182.10 3hi4 h TYR 103 N 0.00 -0.00 -0.65 2.20 3.20 -0.77 -0.10 116.97 120.85 3hi4 h TYR 103 Ca -0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3hi4 h TYR 103 Cb 0.45 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3hi4 h TYR 103 CO 0.00 0.05 0.38 0.82 -1.64 0.00 0.00 178.16 177.76 3hi4 h ILE 104 N -0.05 1.02 -0.87 1.81 2.04 -0.99 -0.21 117.51 120.26 3hi4 h ILE 104 Ca -0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3hi4 h ILE 104 Cb 0.05 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3hi4 h ILE 104 CO 0.00 0.13 0.47 0.00 0.00 0.00 0.00 178.15 178.75 3hi4 h ALA 105 N 1.31 1.12 0.00 1.87 0.00 -0.70 -0.58 119.26 122.28 3hi4 h ALA 105 Ca 0.27 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3hi4 h ALA 105 Cb 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hi4 h ALA 105 CO -0.14 0.64 -1.14 0.00 0.00 0.00 0.00 179.25 178.60 3hi4 h ARG 106 N 1.22 0.00 0.00 0.00 3.08 -0.83 -3.40 114.38 114.46 3hi4 h ARG 106 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3hi4 h ARG 106 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hi4 h ARG 106 CO -0.05 0.39 0.00 0.72 -1.07 0.00 0.00 179.97 179.96 3hi4 n HIS 107 N -3.01 0.00 0.00 3.04 8.25 -0.11 -5.09 115.22 118.30 3hi4 n HIS 107 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3hi4 n HIS 107 Cb 0.82 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.93 3hi4 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hi4 n GLY 108 N 0.25 -1.05 0.91 -1.41 0.00 -0.23 -4.70 105.19 98.96 3hi4 n GLY 108 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3hi4 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hi4 n SER 109 N -1.02 3.11 -0.01 1.61 3.41 -1.26 -4.51 113.62 114.95 3hi4 n SER 109 Ca 0.00 -3.35 0.02 0.00 -0.26 0.00 0.00 58.87 55.29 3hi4 n SER 109 Cb 0.00 -0.57 0.37 0.00 -0.26 0.00 0.00 64.21 63.75 3hi4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hi4 h ALA 110 N 1.26 1.57 -0.08 7.33 0.00 -1.98 -2.35 119.26 125.02 3hi4 h ALA 110 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hi4 h ALA 110 Cb 1.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hi4 h ALA 110 CO 0.27 0.34 0.00 0.54 0.00 0.00 0.00 179.25 180.40 3hi4 n ARG 111 N -4.40 1.58 -4.33 0.00 1.74 -1.26 -4.74 116.66 105.25 3hi4 n ARG 111 Ca 0.03 -0.85 -0.34 0.00 -0.77 0.00 0.00 57.85 55.92 3hi4 n ARG 111 Cb 0.13 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 3hi4 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hi4 s VAL 112 N -1.91 2.88 -0.05 1.55 1.01 -0.88 -0.59 120.40 122.40 3hi4 s VAL 112 Ca 0.35 -0.69 0.13 0.00 0.00 0.00 0.00 61.98 61.78 3hi4 s VAL 112 Cb 0.19 -2.24 -0.20 0.00 0.00 0.00 0.00 36.38 34.13 3hi4 s VAL 112 CO 0.30 0.49 0.79 0.00 0.00 0.00 0.00 175.10 176.68 3hi4 h ALA 113 N 7.51 0.70 -1.67 5.51 0.00 -0.28 -3.45 119.26 127.58 3hi4 h ALA 113 Ca -0.36 -1.24 0.27 0.00 0.00 0.00 0.00 54.91 53.58 3hi4 h ALA 113 Cb 1.18 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 3hi4 h ALA 113 CO 0.59 1.37 0.74 0.20 0.00 0.00 0.00 179.25 182.15 3hi4 s GLY 114 N -4.98 -0.36 -0.02 0.00 0.00 -1.22 -4.33 107.32 96.42 3hi4 s GLY 114 Ca -0.03 0.80 0.02 0.00 0.00 0.00 0.00 44.72 45.51 3hi4 s GLY 114 CO 0.82 0.20 -0.08 -2.27 0.00 0.00 0.00 173.10 171.76 3hi4 s LEU 115 N -2.77 1.83 -0.06 0.66 2.96 0.18 -0.86 118.68 120.61 3hi4 s LEU 115 Ca 0.12 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3hi4 s LEU 115 Cb 0.02 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.22 3hi4 s LEU 115 CO -0.03 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.27 3hi4 s VAL 116 N 0.12 1.04 -0.19 1.68 1.01 0.60 -0.69 120.40 123.96 3hi4 s VAL 116 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3hi4 s VAL 116 Cb -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3hi4 s VAL 116 CO 0.00 0.34 -0.17 -0.76 0.00 0.00 0.00 175.10 174.51 3hi4 s LEU 117 N 0.76 2.36 -0.21 3.92 1.43 0.39 -1.59 118.68 125.73 3hi4 s LEU 117 Ca -0.13 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 3hi4 s LEU 117 Cb -0.15 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3hi4 s LEU 117 CO 0.03 -0.06 -0.10 -0.76 0.23 0.00 0.00 176.35 175.69 3hi4 s LEU 118 N 1.28 2.67 -1.67 1.79 1.43 0.12 -1.60 118.68 122.70 3hi4 s LEU 118 Ca 0.02 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 3hi4 s LEU 118 Cb -0.15 -1.64 0.17 0.00 0.03 0.00 0.00 46.19 44.60 3hi4 s LEU 118 CO -0.11 -0.03 0.71 0.61 0.23 0.00 0.00 176.35 177.77 3hi4 n GLY 119 N 4.72 -0.44 3.86 -3.19 0.00 -0.29 -0.69 105.19 109.17 3hi4 n GLY 119 Ca -0.19 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3hi4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 s ALA 120 N -3.21 3.38 -1.07 4.61 0.00 -1.26 -3.00 121.76 121.21 3hi4 s ALA 120 Ca 0.73 -0.12 0.18 0.00 0.00 0.00 0.00 51.96 52.75 3hi4 s ALA 120 Cb -0.40 -2.68 0.81 0.00 0.00 0.00 0.00 23.12 20.85 3hi4 s ALA 120 CO 0.89 0.22 1.59 1.33 0.00 0.00 0.00 175.76 179.79 3hi4 n VAL 121 N -0.73 0.69 -2.23 0.00 0.24 -1.06 -4.19 118.33 111.04 3hi4 n VAL 121 Ca 0.02 0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 62.12 3hi4 n VAL 121 Cb 0.53 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 32.04 3hi4 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hi4 s THR 122 N -2.93 3.04 -0.53 3.34 -4.23 -1.26 -2.49 115.64 110.57 3hi4 s THR 122 Ca 0.10 0.83 0.23 0.00 -1.18 0.00 0.00 61.69 61.67 3hi4 s THR 122 Cb 0.12 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 3hi4 s THR 122 CO 0.33 0.04 1.11 -0.81 -0.54 0.00 0.00 174.62 174.74 3hi4 n PRO 123 N -0.24 0.36 -3.57 3.99 -0.04 -1.26 -3.59 135.00 130.66 3hi4 n PRO 123 Ca 0.06 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 3hi4 n PRO 123 Cb 0.47 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 3hi4 n PRO 123 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3hi4 s LEU 124 N -4.31 -0.36 -0.09 1.53 -0.00 -1.04 0.85 118.68 115.26 3hi4 s LEU 124 Ca 0.03 0.34 -0.10 0.00 -0.00 0.00 0.00 54.13 54.40 3hi4 s LEU 124 Cb 0.13 1.88 -0.04 0.00 -0.00 0.00 0.00 46.19 48.16 3hi4 s LEU 124 CO 0.78 -0.38 -0.21 0.33 -0.00 0.00 0.00 176.35 176.86 3hi4 n PHE 125 N 0.57 0.00 -1.73 3.48 -0.00 -1.21 -4.68 117.46 113.89 3hi4 n PHE 125 Ca -0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.05 3hi4 n PHE 125 Cb 0.58 -0.36 0.05 0.00 -0.00 0.00 0.00 39.48 39.76 3hi4 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3hi4 s GLY 126 N -4.69 1.64 0.49 7.13 0.00 -1.04 -1.37 107.32 109.48 3hi4 s GLY 126 Ca -0.19 -0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 3hi4 s GLY 126 CO 0.26 0.18 1.36 -1.06 0.00 0.00 0.00 173.10 173.85 3hi4 n GLN 127 N -3.10 1.94 -4.43 2.90 6.02 0.15 -4.40 117.38 116.46 3hi4 n GLN 127 Ca 0.07 0.70 -0.21 0.00 -0.01 0.00 0.00 57.00 57.55 3hi4 n GLN 127 Cb 0.56 -2.55 -0.11 0.00 1.02 0.00 0.00 30.24 29.16 3hi4 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hi4 s LYS 128 N -2.58 1.60 0.24 -1.09 -0.14 -0.93 -4.88 119.74 111.96 3hi4 s LYS 128 Ca 0.66 -1.88 -0.05 0.00 -1.36 0.00 0.00 55.97 53.34 3hi4 s LYS 128 Cb -0.45 -0.82 0.42 0.00 -1.68 0.00 0.00 37.83 35.30 3hi4 s LYS 128 CO 0.54 -0.18 1.73 -1.35 -0.76 0.00 0.00 175.35 175.34 3hi4 h PRO 129 N 2.17 0.43 -0.70 -1.68 0.11 -2.01 0.00 132.00 130.33 3hi4 h PRO 129 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hi4 h PRO 129 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hi4 h PRO 129 CO 0.68 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3hi4 n ASP 130 N -4.99 2.90 -2.81 -2.05 5.75 -1.26 -4.32 116.55 109.76 3hi4 n ASP 130 Ca 0.13 -2.33 -0.10 0.00 -0.01 0.00 0.00 54.79 52.47 3hi4 n ASP 130 Cb 0.38 -0.50 0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3hi4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hi4 n TYR 131 N 0.35 -1.60 0.31 2.11 9.36 -0.04 -4.91 117.16 122.74 3hi4 n TYR 131 Ca 0.13 -2.53 0.19 0.00 3.32 0.00 0.00 57.90 59.00 3hi4 n TYR 131 Cb 0.60 0.92 1.01 0.00 -0.63 0.00 0.00 39.34 41.24 3hi4 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3hi4 h PRO 132 N 2.76 0.00 0.00 2.98 0.13 -1.69 -1.84 132.00 134.34 3hi4 h PRO 132 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3hi4 h PRO 132 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hi4 h PRO 132 CO 0.21 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.00 3hi4 n GLN 133 N -3.38 0.00 -1.01 0.86 0.00 -1.26 -4.80 117.38 107.79 3hi4 n GLN 133 Ca -0.02 0.24 -0.20 0.00 0.00 0.00 0.00 57.00 57.01 3hi4 n GLN 133 Cb 0.13 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.02 3hi4 n GLN 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hi4 n GLY 134 N 0.06 -2.00 3.72 2.61 0.00 -0.74 -4.96 105.19 103.88 3hi4 n GLY 134 Ca 0.04 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3hi4 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hi4 s VAL 135 N -2.68 4.95 0.31 1.61 1.01 -0.47 -4.28 120.40 120.85 3hi4 s VAL 135 Ca 0.50 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.87 3hi4 s VAL 135 Cb -0.03 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 3hi4 s VAL 135 CO 0.36 0.24 1.32 -2.65 0.00 0.00 0.00 175.10 174.37 3hi4 n PRO 136 N 3.69 2.11 0.25 2.72 -0.02 -1.26 0.31 135.00 142.79 3hi4 n PRO 136 Ca 0.01 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3hi4 n PRO 136 Cb 0.51 -2.34 0.62 0.00 -0.02 0.00 0.00 33.50 32.27 3hi4 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hi4 h LEU 137 N 3.01 0.00 -1.60 2.45 3.38 -1.93 -1.67 115.31 118.94 3hi4 h LEU 137 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3hi4 h LEU 137 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3hi4 h LEU 137 CO 0.66 0.17 -0.19 -0.78 0.09 0.00 0.00 178.44 178.39 3hi4 h ASP 138 N 0.00 0.00 -0.17 -0.43 1.82 -1.98 0.18 116.42 115.83 3hi4 h ASP 138 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 3hi4 h ASP 138 Cb 0.51 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 3hi4 h ASP 138 CO 0.02 0.19 0.03 0.58 -1.61 0.00 0.00 179.24 178.46 3hi4 h VAL 139 N 0.00 1.22 -0.18 2.25 2.07 -1.66 -1.28 116.25 118.66 3hi4 h VAL 139 Ca -0.00 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3hi4 h VAL 139 Cb 0.49 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hi4 h VAL 139 CO 0.02 0.21 -0.12 -0.26 0.02 0.00 0.00 177.57 177.45 3hi4 h PHE 140 N 0.08 0.30 -0.44 1.57 0.04 -1.44 -2.04 116.94 115.01 3hi4 h PHE 140 Ca 0.05 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 3hi4 h PHE 140 Cb 0.29 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3hi4 h PHE 140 CO 0.02 0.41 -0.16 0.00 -0.60 0.00 0.00 178.31 177.98 3hi4 h ALA 141 N 1.61 0.61 -0.22 2.45 0.00 -0.30 -1.45 119.26 121.96 3hi4 h ALA 141 Ca 0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3hi4 h ALA 141 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hi4 h ALA 141 CO 0.02 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 3hi4 h ARG 142 N 0.71 0.39 -0.26 0.00 3.08 -1.02 -1.74 114.38 115.54 3hi4 h ARG 142 Ca 0.10 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3hi4 h ARG 142 Cb 0.71 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3hi4 h ARG 142 CO 0.05 0.58 0.08 0.74 -1.07 0.00 0.00 179.97 180.35 3hi4 h PHE 143 N 0.36 0.41 -0.60 3.04 0.04 -0.78 -2.25 116.94 117.16 3hi4 h PHE 143 Ca 0.06 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.83 3hi4 h PHE 143 Cb 0.55 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 3hi4 h PHE 143 CO 0.01 0.45 0.35 0.87 -0.60 0.00 0.00 178.31 179.40 3hi4 h LYS 144 N 0.25 0.67 -0.75 1.51 1.57 -1.15 0.09 116.57 118.77 3hi4 h LYS 144 Ca 0.08 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3hi4 h LYS 144 Cb 0.23 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 3hi4 h LYS 144 CO -0.00 0.44 0.43 1.15 -0.57 0.00 0.00 179.45 180.90 3hi4 h THR 145 N 0.69 0.96 -0.22 -0.16 2.02 -1.10 -0.80 112.91 114.30 3hi4 h THR 145 Ca 0.25 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.01 3hi4 h THR 145 Cb 0.06 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3hi4 h THR 145 CO -0.12 0.14 -0.49 -0.33 0.37 0.00 0.00 175.52 175.09 3hi4 h GLU 146 N 0.77 0.61 -0.10 6.66 5.08 -0.86 -2.94 114.58 123.80 3hi4 h GLU 146 Ca 0.34 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3hi4 h GLU 146 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hi4 h GLU 146 CO -0.20 0.96 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.33 3hi4 h LEU 147 N 0.48 0.22 -0.15 1.33 3.38 -0.55 -0.42 115.31 119.60 3hi4 h LEU 147 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hi4 h LEU 147 Cb 1.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3hi4 h LEU 147 CO 0.10 0.57 0.00 0.18 0.09 0.00 0.00 178.44 179.38 3hi4 n LEU 148 N -4.07 0.22 -0.09 1.67 4.77 -0.34 -2.84 117.00 116.32 3hi4 n LEU 148 Ca -0.01 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 3hi4 n LEU 148 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3hi4 n LEU 148 CO 0.41 0.04 -1.08 0.29 -1.33 0.00 0.00 177.39 175.72 3hi4 n LYS 149 N -0.76 0.41 -3.10 3.23 5.02 -0.64 -4.96 118.16 117.37 3hi4 n LYS 149 Ca 0.20 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3hi4 n LYS 149 Cb 0.13 -1.26 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3hi4 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hi4 s ASP 150 N -6.04 -1.45 0.35 4.39 -1.08 -0.26 -5.01 116.67 107.57 3hi4 s ASP 150 Ca -0.24 -0.92 0.16 0.00 -0.52 0.00 0.00 52.55 51.03 3hi4 s ASP 150 Cb 0.07 1.86 0.64 0.00 -1.46 0.00 0.00 42.92 44.04 3hi4 s ASP 150 CO 0.36 -0.14 1.74 0.08 0.52 0.00 0.00 175.17 177.73 3hi4 h ARG 151 N 6.52 0.00 -0.14 4.34 0.11 -1.70 -2.06 114.38 121.45 3hi4 h ARG 151 Ca 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 3hi4 h ARG 151 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 3hi4 h ARG 151 CO 0.07 0.43 0.07 0.00 0.10 0.00 0.00 179.97 180.64 3hi4 h ALA 152 N 1.57 0.18 0.01 0.08 0.00 -1.94 0.04 119.26 119.20 3hi4 h ALA 152 Ca -0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 3hi4 h ALA 152 Cb 0.87 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hi4 h ALA 152 CO 0.06 -0.27 -0.93 0.37 0.00 0.00 0.00 179.25 178.48 3hi4 h GLN 153 N 0.11 0.32 -0.37 0.00 5.75 -1.95 -2.48 115.11 116.48 3hi4 h GLN 153 Ca 0.05 -0.35 0.07 0.00 -0.15 0.00 0.00 58.65 58.27 3hi4 h GLN 153 Cb 0.11 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.69 3hi4 h GLN 153 CO -0.01 1.05 -0.10 0.35 -2.65 0.00 0.00 178.83 177.48 3hi4 h PHE 154 N 0.18 -0.21 -0.11 3.99 3.57 -1.06 -0.70 116.94 122.59 3hi4 h PHE 154 Ca -0.07 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 3hi4 h PHE 154 Cb 1.56 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 3hi4 h PHE 154 CO 0.05 -0.16 -0.57 0.82 -2.23 0.00 0.00 178.31 176.21 3hi4 h ILE 155 N -0.01 1.36 -0.31 1.41 2.04 -0.89 0.33 117.51 121.44 3hi4 h ILE 155 Ca 0.18 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 3hi4 h ILE 155 Cb 0.28 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3hi4 h ILE 155 CO -0.38 0.57 0.17 -1.28 0.00 0.00 0.00 178.15 177.22 3hi4 h SER 156 N 0.26 0.38 0.50 1.72 0.87 -1.17 -0.54 113.55 115.58 3hi4 h SER 156 Ca -0.00 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 3hi4 h SER 156 Cb 1.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 3hi4 h SER 156 CO 0.10 0.36 -0.38 0.44 -0.53 0.00 0.00 176.83 176.81 3hi4 h ASP 157 N 0.38 0.00 0.20 6.23 3.32 -0.90 -2.84 116.42 122.81 3hi4 h ASP 157 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3hi4 h ASP 157 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hi4 h ASP 157 CO -0.02 0.38 -0.07 0.15 -1.72 0.00 0.00 179.24 177.96 3hi4 h PHE 158 N 0.00 0.00 -0.99 4.55 3.04 0.12 -2.97 116.94 120.70 3hi4 h PHE 158 Ca -0.00 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.13 3hi4 h PHE 158 Cb 0.73 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.14 3hi4 h PHE 158 CO 0.00 0.07 0.59 -0.91 -2.02 0.00 0.00 178.31 176.04 3hi4 h ASN 159 N 0.00 0.75 0.27 0.41 2.35 -1.11 -1.62 115.58 116.64 3hi4 h ASN 159 Ca -0.00 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hi4 h ASN 159 Cb 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hi4 h ASN 159 CO 0.01 0.27 -0.13 0.00 -1.65 0.00 0.00 177.43 175.92 3hi4 h ALA 160 N 1.64 -0.37 -0.03 -0.83 0.00 -1.73 -1.97 119.26 115.96 3hi4 h ALA 160 Ca 0.57 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 3hi4 h ALA 160 Cb 0.88 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3hi4 h ALA 160 CO -0.38 -0.59 -0.59 -1.00 0.00 0.00 0.00 179.25 176.69 3hi4 h PRO 161 N -0.59 0.11 -0.36 0.00 0.13 -1.72 0.23 132.00 129.80 3hi4 h PRO 161 Ca -0.04 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3hi4 h PRO 161 Cb 0.43 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 3hi4 h PRO 161 CO 0.06 0.67 0.23 0.35 -0.23 0.00 0.00 178.00 179.08 3hi4 h PHE 162 N 0.08 0.44 -0.02 1.56 3.04 -1.16 -2.64 116.94 118.24 3hi4 h PHE 162 Ca -0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hi4 h PHE 162 Cb 1.06 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.43 3hi4 h PHE 162 CO 0.01 0.27 -0.14 0.66 -2.02 0.00 0.00 178.31 177.09 3hi4 n TYR 163 N -4.85 0.00 -1.55 0.41 4.01 -0.75 -0.19 117.16 114.24 3hi4 n TYR 163 Ca -0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3hi4 n TYR 163 Cb 0.03 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 3hi4 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hi4 n GLY 164 N 1.29 1.52 0.35 2.72 0.00 -0.41 -4.68 105.19 105.98 3hi4 n GLY 164 Ca 0.15 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3hi4 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hi4 h ILE 165 N 0.00 0.89 0.00 -0.61 2.04 -0.81 0.18 117.51 119.20 3hi4 h ILE 165 Ca -0.35 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3hi4 h ILE 165 Cb 1.11 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3hi4 h ILE 165 CO 0.50 0.07 0.00 -0.46 0.00 0.00 0.00 178.15 178.26 3hi4 n ASN 166 N -4.47 0.00 -0.52 1.72 6.94 -1.19 -1.33 115.26 116.41 3hi4 n ASN 166 Ca 0.09 0.40 0.05 0.00 -0.02 0.00 0.00 54.58 55.10 3hi4 n ASN 166 Cb 0.37 -0.45 0.09 0.00 -2.36 0.00 0.00 39.78 37.43 3hi4 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hi4 n LYS 167 N -1.45 1.55 0.00 -3.83 4.76 0.55 -4.99 118.16 114.75 3hi4 n LYS 167 Ca 0.05 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.95 3hi4 n LYS 167 Cb 0.17 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3hi4 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hi4 n GLY 168 N 0.57 0.79 3.60 0.72 0.00 -0.44 -5.07 105.19 105.35 3hi4 n GLY 168 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 3hi4 n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hi4 n GLN 169 N -0.89 1.40 -3.26 1.61 1.13 -0.68 -4.92 117.38 111.76 3hi4 n GLN 169 Ca 0.00 0.49 -0.40 0.00 -1.94 0.00 0.00 57.00 55.15 3hi4 n GLN 169 Cb 0.00 -1.88 -0.08 0.00 0.11 0.00 0.00 30.24 28.39 3hi4 n GLN 169 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hi4 s VAL 170 N -1.00 5.06 -0.02 5.09 1.01 -1.26 -4.42 120.40 124.87 3hi4 s VAL 170 Ca 0.59 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3hi4 s VAL 170 Cb -0.70 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 31.83 3hi4 s VAL 170 CO 0.59 -0.04 0.01 -0.69 0.00 0.00 0.00 175.10 174.97 3hi4 s VAL 171 N 2.31 0.08 0.61 2.92 1.01 -1.26 -5.04 120.40 121.03 3hi4 s VAL 171 Ca 0.19 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 3hi4 s VAL 171 Cb -0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3hi4 s VAL 171 CO 0.11 0.10 1.08 -1.54 0.00 0.00 0.00 175.10 174.86 3hi4 n SER 172 N 3.89 1.28 -0.26 3.32 3.41 -1.26 -4.91 113.62 119.09 3hi4 n SER 172 Ca -0.24 0.83 0.19 0.00 -0.26 0.00 0.00 58.87 59.40 3hi4 n SER 172 Cb 0.52 -1.45 0.50 0.00 -0.26 0.00 0.00 64.21 63.53 3hi4 n SER 172 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3hi4 h GLN 173 N 0.60 0.41 -0.42 4.33 1.08 -2.01 -2.75 115.11 116.34 3hi4 h GLN 173 Ca -0.49 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 56.58 3hi4 h GLN 173 Cb 1.35 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 3hi4 h GLN 173 CO 0.52 0.27 -0.16 0.78 -0.95 0.00 0.00 178.83 179.29 3hi4 h GLY 174 N 0.42 0.92 0.89 3.46 0.00 -1.98 0.38 103.07 107.15 3hi4 h GLY 174 Ca 0.49 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3hi4 h GLY 174 CO -0.20 0.73 0.58 -2.08 0.00 0.00 0.00 176.54 175.57 3hi4 h VAL 175 N 0.67 1.16 -0.34 4.60 2.07 -1.86 -0.07 116.25 122.48 3hi4 h VAL 175 Ca 0.10 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3hi4 h VAL 175 Cb 0.71 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hi4 h VAL 175 CO 0.05 0.21 -0.11 1.56 0.02 0.00 0.00 177.57 179.30 3hi4 h GLN 176 N 1.14 0.68 -0.32 1.57 4.20 -1.17 -0.54 115.11 120.66 3hi4 h GLN 176 Ca 0.36 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.85 3hi4 h GLN 176 Cb -0.01 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3hi4 h GLN 176 CO -0.11 0.86 -0.02 1.15 -0.67 0.00 0.00 178.83 180.03 3hi4 h THR 177 N 0.46 0.74 -0.64 -0.54 2.02 -0.02 -1.26 112.91 113.67 3hi4 h THR 177 Ca 0.08 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3hi4 h THR 177 Cb 0.62 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3hi4 h THR 177 CO 0.04 0.01 0.19 -0.61 0.37 0.00 0.00 175.52 175.52 3hi4 h GLN 178 N 0.07 0.99 -0.40 6.66 4.15 -0.88 -0.67 115.11 125.03 3hi4 h GLN 178 Ca 0.16 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.39 3hi4 h GLN 178 Cb 0.22 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 3hi4 h GLN 178 CO -0.28 0.88 0.19 1.15 -1.93 0.00 0.00 178.83 178.84 3hi4 h THR 179 N 0.92 0.96 -0.43 2.39 2.02 -0.60 -1.32 112.91 116.84 3hi4 h THR 179 Ca 0.20 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 3hi4 h THR 179 Cb 0.31 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hi4 h THR 179 CO -0.00 0.07 -0.18 0.25 0.37 0.00 0.00 175.52 176.03 3hi4 h LEU 180 N 0.39 0.91 -0.34 2.58 5.85 -0.97 -1.81 115.31 121.92 3hi4 h LEU 180 Ca 0.17 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3hi4 h LEU 180 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3hi4 h LEU 180 CO -0.13 1.09 0.17 -0.61 -0.34 0.00 0.00 178.44 178.62 3hi4 h GLN 181 N 0.71 0.34 -0.38 1.25 4.15 -0.89 0.15 115.11 120.45 3hi4 h GLN 181 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hi4 h GLN 181 Cb 0.73 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 3hi4 h GLN 181 CO 0.06 0.23 0.24 0.82 -1.93 0.00 0.00 178.83 178.24 3hi4 h ILE 182 N 0.35 1.12 -0.39 2.39 2.04 -1.19 -2.80 117.51 119.03 3hi4 h ILE 182 Ca 0.14 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3hi4 h ILE 182 Cb 0.05 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3hi4 h ILE 182 CO -0.10 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.25 3hi4 h ALA 183 N 1.11 1.42 0.00 1.87 0.00 -0.64 -1.85 119.26 121.17 3hi4 h ALA 183 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hi4 h ALA 183 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hi4 h ALA 183 CO -0.03 0.42 -0.02 -0.07 0.00 0.00 0.00 179.25 179.55 3hi4 h LEU 184 N 0.56 0.00 -1.57 0.00 3.38 -0.45 -2.53 115.31 114.69 3hi4 h LEU 184 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hi4 h LEU 184 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3hi4 h LEU 184 CO -0.00 0.02 -0.22 -0.07 0.09 0.00 0.00 178.44 178.25 3hi4 h LEU 185 N 0.00 0.00-10.24 1.67 3.38 -1.29 -3.46 115.31 105.37 3hi4 h LEU 185 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3hi4 h LEU 185 Cb 0.14 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.99 3hi4 h LEU 185 CO 0.00 0.22 0.36 0.00 0.09 0.00 0.00 178.44 179.12 3hi4 s ALA 186 N -4.46 2.51 0.20 1.53 0.00 -0.96 -4.52 121.76 116.07 3hi4 s ALA 186 Ca -0.03 0.39 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 3hi4 s ALA 186 Cb 0.15 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3hi4 s ALA 186 CO 0.69 -1.27 1.44 0.45 0.00 0.00 0.00 175.76 177.08 3hi4 s SER 187 N -2.96 6.70 0.23 0.00 0.15 0.69 -4.93 113.70 113.57 3hi4 s SER 187 Ca 0.64 2.57 -0.06 0.00 0.70 0.00 0.00 55.95 59.80 3hi4 s SER 187 Cb -0.18 -2.61 0.36 0.00 -1.71 0.00 0.00 66.02 61.88 3hi4 s SER 187 CO 0.45 -0.70 1.78 0.25 1.20 0.00 0.00 173.24 176.23 3hi4 h LEU 188 N 5.74 0.50 -0.46 3.45 5.85 -1.95 -1.22 115.31 127.23 3hi4 h LEU 188 Ca -0.44 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3hi4 h LEU 188 Cb 1.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3hi4 h LEU 188 CO 0.82 0.28 0.30 0.50 -0.34 0.00 0.00 178.44 180.00 3hi4 h LYS 189 N 0.64 0.61 0.00 1.25 1.63 -1.96 -2.09 116.57 116.65 3hi4 h LYS 189 Ca 0.37 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.02 3hi4 h LYS 189 Cb 0.39 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3hi4 h LYS 189 CO -0.27 0.41 -0.53 0.00 -3.45 0.00 0.00 179.45 175.61 3hi4 h ALA 190 N 1.16 1.04 -0.54 5.00 0.00 -1.79 -0.04 119.26 124.09 3hi4 h ALA 190 Ca 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3hi4 h ALA 190 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hi4 h ALA 190 CO -0.04 0.66 -0.08 1.15 0.00 0.00 0.00 179.25 180.95 3hi4 h THR 191 N 0.00 1.27 0.15 0.00 2.02 -0.68 -1.50 112.91 114.16 3hi4 h THR 191 Ca -0.01 -1.22 -0.24 0.00 0.77 0.00 0.00 66.41 65.71 3hi4 h THR 191 Cb 0.99 0.93 0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3hi4 h THR 191 CO 0.07 0.43 -1.10 0.58 0.37 0.00 0.00 175.52 175.87 3hi4 h VAL 192 N 0.89 1.34 -0.56 3.16 2.07 -1.22 -3.24 116.25 118.70 3hi4 h VAL 192 Ca 0.15 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 3hi4 h VAL 192 Cb 0.63 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 3hi4 h VAL 192 CO 0.04 0.73 0.28 0.44 0.02 0.00 0.00 177.57 179.09 3hi4 h ASP 193 N -0.26 0.69 -0.44 0.57 5.19 -0.96 -2.22 116.42 118.98 3hi4 h ASP 193 Ca -0.21 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.13 3hi4 h ASP 193 Cb 1.77 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 41.08 3hi4 h ASP 193 CO 0.15 0.57 0.21 0.00 -3.12 0.00 0.00 179.24 177.06 3hi4 h VAL 195 N 0.68 0.97 -0.22 0.00 2.07 -1.43 0.84 116.25 119.16 3hi4 h VAL 195 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 3hi4 h VAL 195 Cb 0.10 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3hi4 h VAL 195 CO -0.02 0.00 -0.09 0.74 0.02 0.00 0.00 177.57 178.22 3hi4 h THR 196 N -0.01 0.71 -0.02 2.57 2.02 -1.22 0.22 112.91 117.17 3hi4 h THR 196 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3hi4 h THR 196 Cb 0.03 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3hi4 h THR 196 CO -0.02 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.88 3hi4 h ALA 197 N 1.15 0.03 0.00 6.16 0.00 -0.71 -2.54 119.26 123.34 3hi4 h ALA 197 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hi4 h ALA 197 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hi4 h ALA 197 CO -0.25 -0.47 -0.13 0.27 0.00 0.00 0.00 179.25 178.66 3hi4 h PHE 198 N 0.02 0.00 -0.10 0.00 -5.15 -0.75 -2.52 116.94 108.44 3hi4 h PHE 198 Ca 0.01 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.63 3hi4 h PHE 198 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 3hi4 h PHE 198 CO -0.08 0.13 -0.57 0.00 -2.00 0.00 0.00 178.31 175.80 3hi4 h ALA 199 N 1.87 0.85 0.00 12.09 0.00 -0.63 -3.39 119.26 130.05 3hi4 h ALA 199 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hi4 h ALA 199 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hi4 h ALA 199 CO 0.02 0.70 -0.49 0.39 0.00 0.00 0.00 179.25 179.87 3hi4 n GLU 200 N -3.91 3.79 -2.96 0.00 1.02 -0.99 -2.50 120.64 115.09 3hi4 n GLU 200 Ca -0.02 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 3hi4 n GLU 200 Cb 0.59 -0.77 -0.05 0.00 -0.02 0.00 0.00 31.44 31.20 3hi4 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hi4 s THR 201 N -1.55 4.89 -0.33 2.62 2.01 -0.96 -5.01 115.64 117.32 3hi4 s THR 201 Ca 0.00 1.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.47 3hi4 s THR 201 Cb 0.01 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 3hi4 s THR 201 CO 0.06 0.28 0.34 -0.62 -0.69 0.00 0.00 174.62 174.00 3hi4 s ASP 202 N 0.50 6.17 -0.03 3.53 -1.08 -1.26 -4.54 116.67 119.96 3hi4 s ASP 202 Ca 0.40 -0.20 0.21 0.00 -0.52 0.00 0.00 52.55 52.45 3hi4 s ASP 202 Cb -0.19 -2.19 0.66 0.00 -1.46 0.00 0.00 42.92 39.73 3hi4 s ASP 202 CO 0.22 -0.31 1.55 0.49 0.52 0.00 0.00 175.17 177.64 3hi4 n PHE 203 N 5.34 1.08 -0.29 -5.34 3.72 0.25 -4.48 117.46 117.74 3hi4 n PHE 203 Ca -0.10 -0.53 -0.02 0.00 -0.05 0.00 0.00 57.45 56.75 3hi4 n PHE 203 Cb 0.50 -0.06 0.09 0.00 -0.94 0.00 0.00 39.48 39.07 3hi4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hi4 h ARG 204 N 4.17 0.99 -0.46 -1.08 3.08 -1.88 -0.94 114.38 118.25 3hi4 h ARG 204 Ca 0.00 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hi4 h ARG 204 Cb 1.09 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 3hi4 h ARG 204 CO 0.05 0.65 0.31 -1.35 -1.07 0.00 0.00 179.97 178.56 3hi4 h PRO 205 N 1.01 0.46 -0.01 0.04 0.11 -1.92 -1.94 132.00 129.75 3hi4 h PRO 205 Ca 0.32 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 3hi4 h PRO 205 Cb -0.01 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3hi4 h PRO 205 CO -0.10 0.30 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.03 3hi4 h ASP 206 N 0.47 0.03 0.11 -2.05 5.19 -1.50 -2.54 116.42 116.13 3hi4 h ASP 206 Ca 0.19 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 3hi4 h ASP 206 Cb 0.17 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3hi4 h ASP 206 CO -0.05 0.54 -0.18 0.24 -3.12 0.00 0.00 179.24 176.67 3hi4 h MET 207 N 0.02 0.15 0.00 3.56 2.86 -0.61 -1.71 114.93 119.20 3hi4 h MET 207 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hi4 h MET 207 Cb 0.92 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3hi4 h MET 207 CO 0.07 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.38 3hi4 n ALA 208 N -2.49 2.10 1.16 6.32 0.00 -0.96 -2.69 120.51 123.95 3hi4 n ALA 208 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3hi4 n ALA 208 Cb 0.28 -1.44 0.22 0.00 0.00 0.00 0.00 19.45 18.51 3hi4 n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hi4 n LYS 209 N -2.21 1.65 -2.85 0.00 5.02 -0.65 -4.80 118.16 114.32 3hi4 n LYS 209 Ca 0.05 -1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 54.67 3hi4 n LYS 209 Cb 0.37 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 3hi4 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hi4 s ILE 210 N -2.20 4.41 -0.27 -0.18 1.01 -1.10 -4.84 121.20 118.04 3hi4 s ILE 210 Ca 0.27 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.28 3hi4 s ILE 210 Cb 0.20 -4.53 0.45 0.00 0.01 0.00 0.00 42.46 38.59 3hi4 s ILE 210 CO 0.41 -1.09 1.25 -0.90 0.00 0.00 0.00 174.94 174.61 3hi4 n ASP 211 N 7.40 3.51 -4.38 3.58 5.75 -1.26 -4.43 116.55 126.71 3hi4 n ASP 211 Ca 0.02 -3.82 -0.19 0.00 -0.01 0.00 0.00 54.79 50.78 3hi4 n ASP 211 Cb 0.47 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 40.00 3hi4 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3hi4 s VAL 212 N -3.95 1.43 0.29 2.12 -7.23 -1.26 -5.10 120.40 106.69 3hi4 s VAL 212 Ca 0.46 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 3hi4 s VAL 212 Cb 0.40 -2.36 -0.12 0.00 0.56 0.00 0.00 36.38 34.86 3hi4 s VAL 212 CO -0.01 -0.35 1.55 -2.65 -0.31 0.00 0.00 175.10 173.33 3hi4 n PRO 213 N -0.50 2.56 -4.33 4.82 -0.02 -1.26 -4.80 135.00 131.47 3hi4 n PRO 213 Ca -0.06 0.91 -0.18 0.00 -2.02 0.00 0.00 63.50 62.15 3hi4 n PRO 213 Cb 0.63 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 3hi4 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hi4 s THR 214 N -0.07 0.66 -0.10 3.45 2.01 -1.25 -0.64 115.64 119.69 3hi4 s THR 214 Ca 0.64 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3hi4 s THR 214 Cb -0.53 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.45 3hi4 s THR 214 CO 0.49 0.18 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.27 3hi4 s LEU 215 N -0.22 1.46 -0.21 4.42 2.96 0.13 -0.62 118.68 126.60 3hi4 s LEU 215 Ca 0.03 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3hi4 s LEU 215 Cb -0.03 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 3hi4 s LEU 215 CO -0.00 -0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.29 3hi4 s VAL 216 N 1.22 3.75 -0.05 1.68 1.01 -0.53 -0.46 120.40 127.02 3hi4 s VAL 216 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hi4 s VAL 216 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3hi4 s VAL 216 CO -0.03 0.42 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 3hi4 s ILE 217 N 1.25 1.97 -0.04 2.22 1.01 -0.63 -0.29 121.20 126.69 3hi4 s ILE 217 Ca 0.03 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 3hi4 s ILE 217 Cb -0.15 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3hi4 s ILE 217 CO 0.00 0.55 0.40 -2.28 0.00 0.00 0.00 174.94 173.61 3hi4 s HIS 218 N -0.23 -0.31 -0.03 3.97 2.46 -0.85 -1.13 115.29 119.16 3hi4 s HIS 218 Ca -0.01 0.55 -0.18 0.00 0.47 0.00 0.00 55.06 55.89 3hi4 s HIS 218 Cb -0.13 0.17 -0.05 0.00 -0.13 0.00 0.00 32.58 32.44 3hi4 s HIS 218 CO 0.03 -0.41 0.49 0.20 -2.47 0.00 0.00 174.74 172.57 3hi4 s GLY 219 N -1.11 2.51 0.00 1.59 0.00 -1.26 -1.39 107.32 107.66 3hi4 s GLY 219 Ca -0.11 -0.12 0.09 0.00 0.00 0.00 0.00 44.72 44.58 3hi4 s GLY 219 CO 0.05 0.52 1.29 2.09 0.00 0.00 0.00 173.10 177.05 3hi4 n ASP 220 N 2.59 0.00 -1.36 1.64 5.68 -1.06 -2.56 116.55 121.49 3hi4 n ASP 220 Ca -0.10 -1.59 0.06 0.00 -0.50 0.00 0.00 54.79 52.67 3hi4 n ASP 220 Cb 0.52 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.81 3hi4 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hi4 n GLY 221 N 0.56 3.67 3.64 6.12 0.00 -0.16 -4.77 105.19 114.25 3hi4 n GLY 221 Ca 0.07 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3hi4 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hi4 s ASP 222 N -1.47 6.61 0.00 1.61 -1.08 -1.06 -4.50 116.67 116.78 3hi4 s ASP 222 Ca 0.48 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.28 3hi4 s ASP 222 Cb 0.38 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 40.04 3hi4 s ASP 222 CO 0.11 -1.08 1.57 0.00 0.52 0.00 0.00 175.17 176.30 3hi4 n GLN 223 N 7.32 0.07 -0.12 4.34 6.02 -1.26 -4.20 117.38 129.55 3hi4 n GLN 223 Ca 0.16 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.86 3hi4 n GLN 223 Cb 0.46 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.13 3hi4 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hi4 n ILE 224 N -1.43 1.35 -3.86 5.09 2.08 -1.26 -4.82 119.36 116.51 3hi4 n ILE 224 Ca 0.07 -0.36 -0.29 0.00 0.56 0.00 0.00 62.75 62.73 3hi4 n ILE 224 Cb 0.33 -1.81 -0.13 0.00 -0.75 0.00 0.00 39.64 37.29 3hi4 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3hi4 s VAL 225 N -2.45 2.27 0.11 1.39 1.01 -1.26 -5.08 120.40 116.38 3hi4 s VAL 225 Ca -0.34 -3.29 -0.33 0.00 0.00 0.00 0.00 61.98 58.02 3hi4 s VAL 225 Cb 0.13 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.83 3hi4 s VAL 225 CO 0.44 -0.88 1.74 -2.65 0.00 0.00 0.00 175.10 173.75 3hi4 n PRO 226 N 2.99 2.46 -0.27 2.72 -0.02 -1.26 -4.80 135.00 136.83 3hi4 n PRO 226 Ca 0.10 0.89 0.06 0.00 -2.02 0.00 0.00 63.50 62.53 3hi4 n PRO 226 Cb 0.34 -2.73 0.20 0.00 -0.02 0.00 0.00 33.50 31.29 3hi4 n PRO 226 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hi4 h PHE 227 N 7.49 0.63 -0.22 6.00 3.04 -1.80 -2.91 116.94 129.17 3hi4 h PHE 227 Ca -0.46 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.47 3hi4 h PHE 227 Cb 1.24 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 3hi4 h PHE 227 CO 0.73 0.13 -0.10 0.93 -2.02 0.00 0.00 178.31 177.97 3hi4 h GLU 228 N 0.53 0.35 -0.51 1.11 4.39 -1.95 -1.36 114.58 117.15 3hi4 h GLU 228 Ca 0.43 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3hi4 h GLU 228 Cb 0.62 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3hi4 h GLU 228 CO -0.37 0.46 0.00 0.25 -1.16 0.00 0.00 179.01 178.19 3hi4 n THR 229 N -4.26 0.98 0.00 1.13 -2.24 -1.13 -4.30 114.28 104.46 3hi4 n THR 229 Ca 0.00 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3hi4 n THR 229 Cb 0.27 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3hi4 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hi4 n THR 230 N 1.01 0.00 -0.30 4.28 -2.24 -0.98 -4.59 114.28 111.47 3hi4 n THR 230 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 3hi4 n THR 230 Cb 0.51 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.94 3hi4 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hi4 h GLY 231 N 0.00 1.35 0.54 3.38 0.00 -1.59 0.25 103.07 107.01 3hi4 h GLY 231 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.10 3hi4 h GLY 231 CO 0.00 0.06 0.26 1.70 0.00 0.00 0.00 176.54 178.56 3hi4 h LYS 232 N 0.74 0.47 -0.00 4.80 3.64 -1.51 -1.62 116.57 123.08 3hi4 h LYS 232 Ca 0.43 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.59 3hi4 h LYS 232 Cb 0.50 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3hi4 h LYS 232 CO -0.30 0.31 -0.86 0.28 -2.27 0.00 0.00 179.45 176.62 3hi4 h VAL 233 N 0.48 1.49 -0.67 2.00 2.07 -1.17 -3.19 116.25 117.26 3hi4 h VAL 233 Ca 0.28 -2.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.13 3hi4 h VAL 233 Cb 0.27 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3hi4 h VAL 233 CO -0.24 0.75 0.13 0.00 0.02 0.00 0.00 177.57 178.24 3hi4 h ALA 234 N 1.00 0.88 -0.02 1.67 0.00 -0.31 -1.36 119.26 121.13 3hi4 h ALA 234 Ca -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hi4 h ALA 234 Cb 1.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hi4 h ALA 234 CO 0.13 0.63 0.01 0.00 0.00 0.00 0.00 179.25 180.03 3hi4 h ALA 235 N 1.06 1.95 0.10 0.00 0.00 -1.33 -1.93 119.26 119.11 3hi4 h ALA 235 Ca 0.21 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 3hi4 h ALA 235 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hi4 h ALA 235 CO 0.01 -0.02 -1.47 0.93 0.00 0.00 0.00 179.25 178.69 3hi4 h GLU 236 N 0.00 0.22 0.00 0.00 5.08 -1.27 -3.35 114.58 115.26 3hi4 h GLU 236 Ca 0.01 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3hi4 h GLU 236 Cb 0.04 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hi4 h GLU 236 CO -0.00 1.08 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.70 3hi4 h LEU 237 N 0.06 0.00 -8.86 1.33 3.38 -1.01 -3.43 115.31 106.78 3hi4 h LEU 237 Ca -0.22 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.13 3hi4 h LEU 237 Cb 1.99 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.62 3hi4 h LEU 237 CO 0.16 0.19 0.17 -0.63 0.09 0.00 0.00 178.44 178.42 3hi4 s ILE 238 N -3.13 4.91 0.10 1.22 1.01 -0.76 -4.56 121.20 120.00 3hi4 s ILE 238 Ca 0.05 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.22 3hi4 s ILE 238 Cb 0.06 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 3hi4 s ILE 238 CO 0.71 -0.19 1.89 1.17 0.00 0.00 0.00 174.94 178.52 3hi4 n LYS 239 N 5.95 2.84 -0.98 2.79 4.81 -1.26 -1.64 118.16 130.67 3hi4 n LYS 239 Ca -0.01 1.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 3hi4 n LYS 239 Cb 0.49 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.58 3hi4 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hi4 n GLY 240 N 4.35 0.89 3.62 3.14 0.00 -1.26 -4.89 105.19 111.04 3hi4 n GLY 240 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3hi4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 n ALA 241 N 0.94 0.29 -2.75 4.61 0.00 -0.65 -4.69 120.51 118.26 3hi4 n ALA 241 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3hi4 n ALA 241 Cb 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 3hi4 n ALA 241 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hi4 s GLU 242 N -2.01 3.58 -0.08 0.00 2.12 0.21 -4.97 118.70 117.54 3hi4 s GLU 242 Ca 0.63 -0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.85 3hi4 s GLU 242 Cb -0.56 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 30.85 3hi4 s GLU 242 CO 0.57 0.57 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.49 3hi4 s LEU 243 N -2.24 1.94 -0.09 2.70 2.96 -1.26 -1.46 118.68 121.23 3hi4 s LEU 243 Ca 0.34 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 3hi4 s LEU 243 Cb -0.13 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3hi4 s LEU 243 CO 0.22 0.13 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.62 3hi4 s LYS 244 N 0.36 2.70 -0.18 1.98 1.02 0.60 -4.98 119.74 121.24 3hi4 s LYS 244 Ca -0.15 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 3hi4 s LYS 244 Cb -0.16 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3hi4 s LYS 244 CO 0.06 0.16 -0.02 0.08 -0.92 0.00 0.00 175.35 174.71 3hi4 s VAL 245 N 0.37 3.89 -0.40 3.17 1.01 -1.26 -2.01 120.40 125.18 3hi4 s VAL 245 Ca -0.17 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 3hi4 s VAL 245 Cb -0.17 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3hi4 s VAL 245 CO 0.07 0.46 0.67 -0.31 0.00 0.00 0.00 175.10 176.00 3hi4 s TYR 246 N 0.71 3.09 0.16 5.22 2.02 -0.48 -4.95 117.35 123.12 3hi4 s TYR 246 Ca -0.01 0.21 -0.33 0.00 -0.37 0.00 0.00 57.07 56.57 3hi4 s TYR 246 Cb -0.14 -3.31 -0.12 0.00 -0.40 0.00 0.00 41.96 37.98 3hi4 s TYR 246 CO 0.02 -0.77 1.71 1.17 -1.57 0.00 0.00 175.55 176.11 3hi4 n LYS 247 N 6.26 2.55 -0.45 -0.62 4.81 -1.26 -1.74 118.16 127.70 3hi4 n LYS 247 Ca -0.00 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3hi4 n LYS 247 Cb 0.48 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.78 3hi4 n LYS 247 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hi4 n ASP 248 N 4.26 0.00 -4.72 3.14 8.00 -1.26 -4.89 116.55 121.08 3hi4 n ASP 248 Ca 0.17 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 3hi4 n ASP 248 Cb 0.33 -2.37 0.06 0.00 -0.02 0.00 0.00 41.12 39.12 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hi4 n ALA 249 N 1.00 1.16 -1.95 2.24 0.00 -0.71 -4.22 120.51 118.03 3hi4 n ALA 249 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3hi4 n ALA 249 Cb 0.00 -2.31 0.19 0.00 0.00 0.00 0.00 19.45 17.33 3hi4 n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hi4 s PRO 250 N -3.20 0.55 0.16 0.00 0.04 -1.26 -0.98 135.00 130.30 3hi4 s PRO 250 Ca 0.80 -0.67 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 3hi4 s PRO 250 Cb -0.39 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.31 3hi4 s PRO 250 CO 0.43 -2.42 1.76 1.25 0.04 0.00 0.00 177.00 178.06 3hi4 h HIS 251 N -1.56 0.29 -0.48 0.56 -0.00 -1.76 -3.29 115.15 108.91 3hi4 h HIS 251 Ca -0.42 0.02 -0.38 0.00 -0.00 0.00 0.00 60.37 59.59 3hi4 h HIS 251 Cb 1.22 -0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 28.45 3hi4 h HIS 251 CO -1.27 0.13 0.40 0.41 -0.00 0.00 0.00 177.93 177.59 3hi4 n GLY 252 N -1.23 3.74 0.03 5.26 0.00 0.73 -4.57 105.19 109.16 3hi4 n GLY 252 Ca 0.02 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.61 3hi4 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hi4 n PHE 253 N 1.92 0.23 0.29 1.61 1.16 -1.24 -1.93 117.46 119.50 3hi4 n PHE 253 Ca 0.49 0.08 0.15 0.00 -1.87 0.00 0.00 57.45 56.30 3hi4 n PHE 253 Cb 0.69 -0.63 0.85 0.00 -1.61 0.00 0.00 39.48 38.78 3hi4 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3hi4 h ALA 254 N 2.67 1.35 0.00 1.98 0.00 -1.88 0.35 119.26 123.73 3hi4 h ALA 254 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 3hi4 h ALA 254 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hi4 h ALA 254 CO 0.00 0.07 -1.24 0.28 0.00 0.00 0.00 179.25 178.36 3hi4 n VAL 255 N -3.66 1.52 0.18 0.00 0.31 -0.81 -3.74 118.33 112.13 3hi4 n VAL 255 Ca -0.02 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.35 3hi4 n VAL 255 Cb 0.16 -2.07 0.28 0.00 -0.91 0.00 0.00 33.84 31.30 3hi4 n VAL 255 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hi4 h THR 256 N -1.00 0.78 -0.57 2.52 1.35 -1.36 -3.14 112.91 111.49 3hi4 h THR 256 Ca -0.33 -1.60 -0.41 0.00 -0.55 0.00 0.00 66.41 63.52 3hi4 h THR 256 Cb 1.24 2.03 -0.37 0.00 -1.73 0.00 0.00 68.15 69.32 3hi4 h THR 256 CO -0.20 0.36 -0.83 1.41 -0.25 0.00 0.00 175.52 176.00 3hi4 n HIS 257 N -3.40 2.04 -0.04 4.73 -0.00 0.12 -4.91 115.22 113.75 3hi4 n HIS 257 Ca 0.01 -2.05 -0.08 0.00 -0.00 0.00 0.00 57.72 55.59 3hi4 n HIS 257 Cb 0.55 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.22 3hi4 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hi4 h ALA 258 N 2.05 0.12 -0.32 -1.41 0.00 -1.54 -0.72 119.26 117.43 3hi4 h ALA 258 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hi4 h ALA 258 Cb 1.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3hi4 h ALA 258 CO 0.54 -0.49 0.15 0.37 0.00 0.00 0.00 179.25 179.82 3hi4 h GLN 259 N -0.03 0.47 -0.48 0.00 4.15 -1.89 0.21 115.11 117.55 3hi4 h GLN 259 Ca 0.11 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.49 3hi4 h GLN 259 Cb 0.19 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 3hi4 h GLN 259 CO -0.24 0.44 0.25 0.37 -1.93 0.00 0.00 178.83 177.72 3hi4 h GLN 260 N 0.39 0.49 -0.29 1.69 4.15 -1.93 -0.06 115.11 119.54 3hi4 h GLN 260 Ca 0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hi4 h GLN 260 Cb 0.12 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3hi4 h GLN 260 CO -0.01 0.32 0.16 1.25 -1.93 0.00 0.00 178.83 178.62 3hi4 h LEU 261 N 0.50 0.36 -1.21 -2.39 5.85 -0.80 0.15 115.31 117.78 3hi4 h LEU 261 Ca 0.20 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3hi4 h LEU 261 Cb 0.09 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3hi4 h LEU 261 CO -0.13 0.34 0.55 0.78 -0.34 0.00 0.00 178.44 179.64 3hi4 h ASN 262 N 0.36 0.86 -0.03 1.25 2.35 0.01 0.21 115.58 120.60 3hi4 h ASN 262 Ca 0.10 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 3hi4 h ASN 262 Cb 0.05 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.24 3hi4 h ASN 262 CO -0.02 0.58 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.41 3hi4 h GLU 263 N 0.99 0.46 -0.94 0.81 5.08 -0.48 -1.58 114.58 118.92 3hi4 h GLU 263 Ca 0.35 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hi4 h GLU 263 Cb 0.12 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3hi4 h GLU 263 CO -0.11 1.10 0.62 -0.44 -1.00 0.00 0.00 179.01 179.17 3hi4 h ASP 264 N -0.00 1.01 -0.14 1.42 3.32 -0.30 -0.46 116.42 121.27 3hi4 h ASP 264 Ca -0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hi4 h ASP 264 Cb 1.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3hi4 h ASP 264 CO 0.12 0.69 0.07 -0.07 -1.72 0.00 0.00 179.24 178.34 3hi4 h LEU 265 N 1.18 0.17 -0.82 1.55 3.38 -0.46 -0.45 115.31 119.86 3hi4 h LEU 265 Ca 0.37 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 3hi4 h LEU 265 Cb 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3hi4 h LEU 265 CO -0.12 0.21 0.30 0.25 0.09 0.00 0.00 178.44 179.18 3hi4 h LEU 266 N 0.12 1.09 -0.79 1.67 5.85 -0.94 -1.88 115.31 120.43 3hi4 h LEU 266 Ca 0.05 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 3hi4 h LEU 266 Cb 0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3hi4 h LEU 266 CO -0.01 0.97 -0.02 0.00 -0.34 0.00 0.00 178.44 179.04 3hi4 h ALA 267 N 1.18 0.98 -0.33 1.25 0.00 -0.95 -1.56 119.26 119.84 3hi4 h ALA 267 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hi4 h ALA 267 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hi4 h ALA 267 CO -0.02 0.62 0.12 0.35 0.00 0.00 0.00 179.25 180.31 3hi4 h PHE 268 N 0.83 0.51 -0.49 0.00 3.57 -0.74 -2.62 116.94 118.01 3hi4 h PHE 268 Ca 0.15 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3hi4 h PHE 268 Cb 0.52 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3hi4 h PHE 268 CO 0.03 0.50 0.12 -0.07 -2.23 0.00 0.00 178.31 176.66 3hi4 h LEU 269 N 0.38 0.68 -0.47 0.59 3.38 -1.08 -2.75 115.31 116.03 3hi4 h LEU 269 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hi4 h LEU 269 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hi4 h LEU 269 CO -0.01 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.49 3hi4 n LYS 270 N -4.29 1.31 0.00 1.13 5.02 -0.61 -5.11 118.16 115.61 3hi4 n LYS 270 Ca 0.03 -0.47 0.02 0.00 -2.02 0.00 0.00 58.31 55.87 3hi4 n LYS 270 Cb 0.21 -1.35 0.11 0.00 -0.02 0.00 0.00 35.03 33.98 3hi4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77