#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 0.62 0.23 0.44 -4.23 -1.26 -0.74 115.64 110.71 3hi4 s THR 2 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3hi4 s THR 2 Cb 0.00 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 3hi4 s THR 2 CO 0.00 -0.71 0.13 0.72 -0.54 0.00 0.00 174.62 174.22 3hi4 s PHE 3 N -2.88 1.34 -0.19 3.99 -0.12 -0.88 -4.97 117.98 114.26 3hi4 s PHE 3 Ca 0.04 -1.35 -0.03 0.00 -0.05 0.00 0.00 56.93 55.55 3hi4 s PHE 3 Cb 0.00 -0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 41.70 3hi4 s PHE 3 CO -0.03 -0.57 -0.07 0.08 -0.05 0.00 0.00 175.22 174.58 3hi4 s VAL 4 N -3.96 3.34 0.82 -2.49 1.01 -1.26 -0.48 120.40 117.39 3hi4 s VAL 4 Ca 0.39 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3hi4 s VAL 4 Cb 0.07 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 34.05 3hi4 s VAL 4 CO 0.14 0.46 1.12 0.00 0.00 0.00 0.00 175.10 176.82 3hi4 s ALA 5 N 1.01 2.24 0.24 5.51 0.00 0.45 -4.89 121.76 126.32 3hi4 s ALA 5 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 3hi4 s ALA 5 Cb -0.15 -3.06 0.27 0.00 0.00 0.00 0.00 23.12 20.19 3hi4 s ALA 5 CO -0.00 -1.81 1.56 -0.22 0.00 0.00 0.00 175.76 175.28 3hi4 h LYS 6 N -1.15 -0.01 0.00 0.00 3.64 -1.95 -0.19 116.57 116.91 3hi4 h LYS 6 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3hi4 h LYS 6 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hi4 h LYS 6 CO 0.61 -0.01 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 3hi4 n ASP 7 N -5.50 0.00 0.00 4.20 5.68 -1.26 -4.81 116.55 114.86 3hi4 n ASP 7 Ca 0.11 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 3hi4 n ASP 7 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.27 0.65 3.63 6.12 0.00 -0.08 -5.05 105.19 110.73 3hi4 n GLY 8 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3hi4 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi4 s THR 9 N -2.05 4.61 0.07 2.61 2.01 -1.24 -4.76 115.64 116.89 3hi4 s THR 9 Ca 0.00 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 3hi4 s THR 9 Cb 0.00 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 3hi4 s THR 9 CO 0.00 -0.38 1.02 -1.58 -0.69 0.00 0.00 174.62 172.99 3hi4 s GLN 10 N 3.40 4.60 -0.13 4.92 0.74 -1.26 -0.41 119.66 131.52 3hi4 s GLN 10 Ca 0.42 1.52 0.02 0.00 0.05 0.00 0.00 55.36 57.36 3hi4 s GLN 10 Cb -0.13 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.59 3hi4 s GLN 10 CO 0.13 0.03 -0.18 0.42 -0.55 0.00 0.00 175.29 175.14 3hi4 s ILE 11 N 0.48 2.47 0.10 -2.34 -1.09 0.37 -0.23 121.20 120.95 3hi4 s ILE 11 Ca 0.51 -0.85 -0.20 0.00 -2.23 0.00 0.00 60.65 57.88 3hi4 s ILE 11 Cb -0.24 -2.01 -0.07 0.00 -1.58 0.00 0.00 42.46 38.56 3hi4 s ILE 11 CO 0.30 0.53 0.60 -0.47 -1.23 0.00 0.00 174.94 174.67 3hi4 s TYR 12 N 0.60 3.79 0.09 3.97 5.04 -1.26 -2.07 117.35 127.51 3hi4 s TYR 12 Ca -0.10 1.30 -0.12 0.00 -2.44 0.00 0.00 57.07 55.71 3hi4 s TYR 12 Cb -0.16 -2.52 0.01 0.00 0.35 0.00 0.00 41.96 39.64 3hi4 s TYR 12 CO 0.03 0.55 0.27 -0.59 -1.34 0.00 0.00 175.55 174.47 3hi4 s PHE 13 N -1.17 0.01 -0.05 4.97 -0.71 0.08 -0.45 117.98 120.66 3hi4 s PHE 13 Ca 0.31 -0.34 -0.00 0.00 -1.04 0.00 0.00 56.93 55.86 3hi4 s PHE 13 Cb -0.19 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.64 3hi4 s PHE 13 CO 0.20 -0.57 -0.01 0.15 -1.34 0.00 0.00 175.22 173.65 3hi4 s LYS 14 N -3.54 2.86 -0.25 1.99 1.02 0.59 -0.31 119.74 122.11 3hi4 s LYS 14 Ca 0.02 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 3hi4 s LYS 14 Cb 0.03 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.70 3hi4 s LYS 14 CO -0.09 0.66 0.05 0.34 -0.92 0.00 0.00 175.35 175.39 3hi4 s ASP 15 N -1.16 3.54 -0.05 2.83 2.15 -1.26 -1.16 116.67 121.56 3hi4 s ASP 15 Ca 0.16 -1.22 0.06 0.00 0.43 0.00 0.00 52.55 51.97 3hi4 s ASP 15 Cb -0.11 -0.81 -0.01 0.00 -0.30 0.00 0.00 42.92 41.69 3hi4 s ASP 15 CO 0.05 -0.34 -0.23 0.26 -0.17 0.00 0.00 175.17 174.74 3hi4 s TRP 16 N 1.68 2.27 0.00 -5.34 0.51 0.20 -4.96 118.94 113.30 3hi4 s TRP 16 Ca 0.03 -0.64 0.00 0.00 -2.12 0.00 0.00 56.10 53.36 3hi4 s TRP 16 Cb -0.17 -1.49 0.00 0.00 -0.81 0.00 0.00 33.47 31.00 3hi4 s TRP 16 CO -0.15 -0.19 0.00 0.41 -0.51 0.00 0.00 176.95 176.52 3hi4 n GLY 17 N 2.93 -1.88 3.34 0.98 0.00 -1.26 0.32 105.19 109.61 3hi4 n GLY 17 Ca -0.17 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.31 0.00 1.61 1.04 -1.24 -4.69 113.70 106.11 3hi4 s SER 18 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3hi4 s SER 18 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hi4 s SER 18 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3hi4 n GLY 19 N -0.22 0.38 3.75 7.32 0.00 -1.26 -3.07 105.19 112.08 3hi4 n GLY 19 Ca -0.16 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.39 4.20 0.18 1.61 -0.14 -1.26 -4.18 119.74 119.77 3hi4 s LYS 20 Ca 0.00 2.42 -0.17 0.00 -1.36 0.00 0.00 55.97 56.86 3hi4 s LYS 20 Cb 0.00 -3.07 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 3hi4 s LYS 20 CO 0.00 -0.51 0.63 -1.25 -0.76 0.00 0.00 175.35 173.46 3hi4 s PRO 21 N -0.48 4.10 -0.15 -1.68 0.04 -1.26 -1.67 135.00 133.90 3hi4 s PRO 21 Ca 0.61 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3hi4 s PRO 21 Cb -0.44 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.21 3hi4 s PRO 21 CO 0.46 0.44 -0.15 0.08 0.04 0.00 0.00 177.00 177.87 3hi4 s VAL 22 N -1.49 1.62 -0.19 -0.36 1.01 0.47 -1.56 120.40 119.91 3hi4 s VAL 22 Ca 0.40 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3hi4 s VAL 22 Cb -0.16 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3hi4 s VAL 22 CO 0.20 0.47 -0.06 -0.22 0.00 0.00 0.00 175.10 175.49 3hi4 s LEU 23 N 1.47 2.93 -0.08 3.92 0.20 0.18 -0.74 118.68 126.55 3hi4 s LEU 23 Ca 0.05 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 3hi4 s LEU 23 Cb -0.13 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3hi4 s LEU 23 CO -0.11 0.06 0.00 -0.36 -0.29 0.00 0.00 176.35 175.65 3hi4 s PHE 24 N 1.03 3.16 -0.21 5.38 0.40 0.07 0.05 117.98 127.86 3hi4 s PHE 24 Ca 0.00 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.52 3hi4 s PHE 24 Cb -0.15 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.65 3hi4 s PHE 24 CO -0.00 0.47 -0.05 0.45 0.70 0.00 0.00 175.22 176.79 3hi4 s SER 25 N -0.92 3.39 0.84 1.36 0.15 0.17 -3.84 113.70 114.85 3hi4 s SER 25 Ca 0.14 -0.95 -0.12 0.00 0.70 0.00 0.00 55.95 55.72 3hi4 s SER 25 Cb -0.11 -1.04 0.10 0.00 -1.71 0.00 0.00 66.02 63.25 3hi4 s SER 25 CO 0.03 -0.22 1.11 -1.38 1.20 0.00 0.00 173.24 173.98 3hi4 s HIS 26 N 1.52 2.67 0.82 3.44 -3.43 -1.26 -1.16 115.29 117.89 3hi4 s HIS 26 Ca -0.03 1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 55.26 3hi4 s HIS 26 Cb -0.17 -3.20 0.17 0.00 -1.43 0.00 0.00 32.58 27.95 3hi4 s HIS 26 CO -0.07 -2.03 1.13 0.20 -2.00 0.00 0.00 174.74 171.97 3hi4 s GLY 27 N -3.86 1.77 0.18 -1.38 0.00 -1.07 -3.54 107.32 99.40 3hi4 s GLY 27 Ca 0.62 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 3hi4 s GLY 27 CO 0.54 -0.95 0.62 0.86 0.00 0.00 0.00 173.10 174.17 3hi4 s TRP 28 N -3.44 3.63 -0.87 1.90 -0.00 -1.26 -1.51 118.94 117.38 3hi4 s TRP 28 Ca 0.70 1.20 0.01 0.00 -0.00 0.00 0.00 56.10 58.01 3hi4 s TRP 28 Cb -0.04 -2.47 0.31 0.00 -0.00 0.00 0.00 33.47 31.27 3hi4 s TRP 28 CO 0.48 0.39 1.35 -0.35 -0.00 0.00 0.00 176.95 178.82 3hi4 n PRO 29 N 0.78 4.18 0.00 5.86 -0.04 -1.26 -5.02 135.00 139.50 3hi4 n PRO 29 Ca -0.04 -4.68 0.00 0.00 -0.04 0.00 0.00 63.50 58.73 3hi4 n PRO 29 Cb 0.51 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 -3.88 117.00 119.29 3hi4 n LEU 30 Ca 0.35 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 3hi4 n LEU 30 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3hi4 n LEU 30 CO 0.52 0.00 0.10 -0.90 -1.33 0.00 0.00 177.39 175.78 3hi4 n ASP 31 N 0.00 -0.36 0.20 -1.43 5.68 -1.26 -4.29 116.55 115.10 3hi4 n ASP 31 Ca 0.00 -1.23 0.18 0.00 -0.50 0.00 0.00 54.79 53.23 3hi4 n ASP 31 Cb 0.00 0.59 0.83 0.00 -1.14 0.00 0.00 41.12 41.40 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 1.79 0.00 2.12 0.00 -1.90 -1.57 119.26 121.70 3hi4 h ALA 32 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hi4 h ALA 32 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hi4 h ALA 32 CO 0.07 -0.33 0.00 -0.44 0.00 0.00 0.00 179.25 178.55 3hi4 h ASP 33 N 0.00 0.00 0.32 0.00 5.19 -1.95 -2.04 116.42 117.95 3hi4 h ASP 33 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3hi4 h ASP 33 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3hi4 h ASP 33 CO -0.00 0.00 0.00 1.15 -3.12 0.00 0.00 179.24 177.27 3hi4 n MET 34 N -2.80 0.00 -0.12 3.56 0.00 -0.59 -2.32 117.12 114.85 3hi4 n MET 34 Ca -0.01 0.34 0.07 0.00 0.00 0.00 0.00 57.70 58.10 3hi4 n MET 34 Cb 0.16 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 32.01 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 -1.50 0.32 0.19 3.17 7.02 -0.77 -4.68 117.44 121.20 3hi4 n TRP 35 Ca 0.02 -0.27 0.08 0.00 -1.02 0.00 0.00 57.50 56.31 3hi4 n TRP 35 Cb 0.11 -0.01 0.60 0.00 -2.42 0.00 0.00 31.31 29.59 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 2.65 0.10 0.09 -0.99 4.11 -1.62 0.19 114.58 119.11 3hi4 h GLU 36 Ca 0.00 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 3hi4 h GLU 36 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hi4 h GLU 36 CO 0.00 0.07 -1.30 1.88 0.07 0.00 0.00 179.01 179.72 3hi4 h TYR 37 N 0.10 0.34 -0.14 2.06 0.05 -1.85 -1.48 116.97 116.05 3hi4 h TYR 37 Ca 0.05 -0.25 -0.12 0.00 0.05 0.00 0.00 58.73 58.45 3hi4 h TYR 37 Cb 0.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3hi4 h TYR 37 CO -0.00 1.23 -0.45 1.96 -1.05 0.00 0.00 178.16 179.85 3hi4 h GLN 38 N 0.05 0.35 -0.10 4.88 7.50 -1.48 -1.33 115.11 124.99 3hi4 h GLN 38 Ca -0.15 -0.19 -0.03 0.00 0.50 0.00 0.00 58.65 58.79 3hi4 h GLN 38 Cb 1.94 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.48 3hi4 h GLN 38 CO 0.17 0.74 -0.05 0.52 -1.50 0.00 0.00 178.83 178.71 3hi4 h MET 39 N 0.29 0.22 -0.84 1.46 2.86 -0.68 -1.59 114.93 116.64 3hi4 h MET 39 Ca 0.02 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3hi4 h MET 39 Cb 0.91 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.53 3hi4 h MET 39 CO 0.08 0.57 0.39 1.49 1.06 0.00 0.00 176.91 180.50 3hi4 h GLU 40 N -0.14 1.22 -0.41 1.72 4.22 -1.22 0.20 114.58 120.18 3hi4 h GLU 40 Ca 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.26 3hi4 h GLU 40 Cb 0.50 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3hi4 h GLU 40 CO 0.02 0.95 0.19 -0.92 -2.18 0.00 0.00 179.01 177.07 3hi4 h TYR 41 N 1.21 0.59 0.13 0.92 3.20 -0.96 -2.00 116.97 120.05 3hi4 h TYR 41 Ca 0.29 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.83 3hi4 h TYR 41 Cb 0.14 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3hi4 h TYR 41 CO 0.02 0.49 -1.43 -0.07 -1.64 0.00 0.00 178.16 175.53 3hi4 h LEU 42 N 0.52 0.42 -0.75 2.82 3.38 -1.14 -3.26 115.31 117.29 3hi4 h LEU 42 Ca 0.14 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hi4 h LEU 42 Cb 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hi4 h LEU 42 CO -0.02 1.42 0.00 0.28 0.09 0.00 0.00 178.44 180.21 3hi4 h SER 43 N 0.07 0.00 0.79 -0.43 0.02 -0.56 -1.54 113.55 111.90 3hi4 h SER 43 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3hi4 h SER 43 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 3hi4 h SER 43 CO 0.18 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.67 3hi4 n SER 44 N -2.96 0.00 -0.67 3.07 7.64 -0.76 -3.80 113.62 116.15 3hi4 n SER 44 Ca 0.02 0.47 0.06 0.00 1.01 0.00 0.00 58.87 60.43 3hi4 n SER 44 Cb 0.39 -0.49 0.17 0.00 -1.01 0.00 0.00 64.21 63.27 3hi4 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hi4 n ARG 45 N -1.49 1.27 0.00 1.43 1.74 -0.64 -4.97 116.66 114.01 3hi4 n ARG 45 Ca 0.06 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 3hi4 n ARG 45 Cb 0.27 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.89 1.01 3.52 -0.13 0.00 -1.16 -5.01 105.19 102.52 3hi4 n GLY 46 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.55 -0.31 1.61 2.02 -0.85 -4.34 117.35 116.03 3hi4 s TYR 47 Ca 0.00 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.27 3hi4 s TYR 47 Cb 0.00 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 3hi4 s TYR 47 CO 0.00 0.45 0.51 0.50 -1.57 0.00 0.00 175.55 175.44 3hi4 s ARG 48 N -2.48 3.84 -0.12 -0.62 3.52 -0.67 -3.59 118.95 118.83 3hi4 s ARG 48 Ca 0.21 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 3hi4 s ARG 48 Cb -0.10 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 3hi4 s ARG 48 CO 0.12 -0.50 -0.00 0.95 -0.81 0.00 0.00 175.30 175.05 3hi4 s THR 49 N 2.36 4.23 -0.04 4.11 -4.23 0.15 -0.40 115.64 121.82 3hi4 s THR 49 Ca 0.20 -0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 3hi4 s THR 49 Cb -0.15 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 3hi4 s THR 49 CO 0.11 0.55 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.95 3hi4 s ILE 50 N -0.30 1.34 -0.15 2.99 1.09 0.08 0.62 121.20 126.88 3hi4 s ILE 50 Ca 0.06 -0.66 -0.11 0.00 -1.10 0.00 0.00 60.65 58.83 3hi4 s ILE 50 Cb -0.12 -1.16 0.05 0.00 -1.06 0.00 0.00 42.46 40.17 3hi4 s ILE 50 CO 0.02 0.39 0.38 0.00 -0.10 0.00 0.00 174.94 175.63 3hi4 s ALA 51 N 0.08 -0.95 0.31 9.38 0.00 -0.31 -0.75 121.76 129.52 3hi4 s ALA 51 Ca -0.04 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.23 3hi4 s ALA 51 Cb -0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3hi4 s ALA 51 CO 0.02 -0.21 0.01 -0.59 0.00 0.00 0.00 175.76 174.99 3hi4 s PHE 52 N 0.69 2.59 -0.28 0.00 -0.71 -1.25 -0.30 117.98 118.72 3hi4 s PHE 52 Ca -0.04 -0.36 -0.12 0.00 -1.04 0.00 0.00 56.93 55.38 3hi4 s PHE 52 Cb -0.05 -1.38 -0.05 0.00 -1.21 0.00 0.00 43.02 40.33 3hi4 s PHE 52 CO -0.05 0.52 0.22 -0.51 -1.34 0.00 0.00 175.22 174.06 3hi4 s ASP 53 N -3.71 6.06 0.57 1.98 1.01 0.41 -3.60 116.67 119.39 3hi4 s ASP 53 Ca 0.34 0.04 -0.20 0.00 0.71 0.00 0.00 52.55 53.44 3hi4 s ASP 53 Cb -0.03 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 3hi4 s ASP 53 CO 0.20 -0.07 1.07 -1.14 0.21 0.00 0.00 175.17 175.43 3hi4 n ARG 54 N 5.11 1.12 -1.50 8.23 0.63 -1.26 -4.33 116.66 124.67 3hi4 n ARG 54 Ca -0.13 0.43 -0.48 0.00 -0.92 0.00 0.00 57.85 56.75 3hi4 n ARG 54 Cb 0.52 -2.26 -0.03 0.00 0.45 0.00 0.00 32.46 31.14 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 -0.93 0.61 -0.83 -0.14 1.85 -1.26 -1.43 116.66 114.52 3hi4 n ARG 55 Ca 0.13 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 3hi4 n ARG 55 Cb 0.46 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 1.72 1.03 3.27 2.89 0.00 0.24 -4.95 105.19 109.39 3hi4 n GLY 56 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.71 1.65 0.00 1.61 0.40 -0.51 -0.20 117.98 117.22 3hi4 s PHE 57 Ca 0.00 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3hi4 s PHE 57 Cb 0.00 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3hi4 s PHE 57 CO 0.00 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.53 3hi4 n GLY 58 N 0.85 2.75 0.90 4.36 0.00 -1.26 -2.05 105.19 110.74 3hi4 n GLY 58 Ca -0.18 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 13.58 2.17 -2.19 1.61 1.74 -1.26 -4.66 116.66 127.65 3hi4 n ARG 59 Ca 0.00 -1.78 -0.29 0.00 -0.77 0.00 0.00 57.85 55.01 3hi4 n ARG 59 Cb 0.00 -1.45 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 -1.41 6.02 1.03 0.55 0.01 -0.87 -4.58 113.70 114.45 3hi4 s SER 60 Ca 0.36 1.11 -0.13 0.00 1.31 0.00 0.00 55.95 58.59 3hi4 s SER 60 Cb 0.20 -2.20 0.13 0.00 0.21 0.00 0.00 66.02 64.36 3hi4 s SER 60 CO 0.28 -0.88 0.60 0.47 0.41 0.00 0.00 173.24 174.12 3hi4 n ASP 61 N -2.61 -1.52 -3.80 2.44 8.00 0.68 -4.49 116.55 115.25 3hi4 n ASP 61 Ca 0.04 0.15 -0.28 0.00 0.71 0.00 0.00 54.79 55.42 3hi4 n ASP 61 Cb 0.55 -1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.32 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 -3.00 2.00 -2.93 -1.24 6.02 -1.26 0.79 117.38 117.77 3hi4 n GLN 62 Ca 0.06 -4.54 -0.34 0.00 -0.01 0.00 0.00 57.00 52.17 3hi4 n GLN 62 Cb 0.55 -2.28 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 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 -1.71 4.26 0.32 -1.09 0.04 -1.26 -4.95 135.00 130.61 3hi4 s PRO 63 Ca 0.28 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.39 3hi4 s PRO 63 Cb 0.00 -2.48 0.53 0.00 0.04 0.00 0.00 34.50 32.59 3hi4 s PRO 63 CO -0.14 0.15 1.79 2.35 0.04 0.00 0.00 177.00 181.19 3hi4 h TRP 64 N 2.50 0.45 -2.12 0.56 2.91 -2.01 -3.45 115.95 114.79 3hi4 h TRP 64 Ca -0.48 -0.08 -0.54 0.00 1.13 0.00 0.00 58.89 58.92 3hi4 h TRP 64 Cb 1.18 -0.12 -0.08 0.00 -0.51 0.00 0.00 29.16 29.64 3hi4 h TRP 64 CO 0.62 0.58 -0.58 0.95 -1.03 0.00 0.00 178.44 178.98 3hi4 s THR 65 N -4.62 3.62 0.00 2.65 -4.23 -1.26 -4.67 115.64 107.13 3hi4 s THR 65 Ca -0.06 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3hi4 s THR 65 Cb 0.14 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3hi4 s THR 65 CO 0.77 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 3hi4 n GLY 66 N -1.04 0.70 2.76 3.99 0.00 -1.26 -4.96 105.19 105.38 3hi4 n GLY 66 Ca -0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 0.59 5.32 -3.75 1.61 3.02 -1.26 -4.45 115.26 116.33 3hi4 n ASN 67 Ca 0.00 -3.03 -0.12 0.00 -0.03 0.00 0.00 54.58 51.40 3hi4 n ASN 67 Cb 0.00 -1.51 -0.07 0.00 -0.61 0.00 0.00 39.78 37.59 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 1.37 -0.13 0.39 6.41 1.47 -1.26 -4.67 116.67 120.26 3hi4 s ASP 68 Ca 0.44 -0.19 0.13 0.00 1.18 0.00 0.00 52.55 54.12 3hi4 s ASP 68 Cb 0.12 0.36 0.96 0.00 -0.34 0.00 0.00 42.92 44.01 3hi4 s ASP 68 CO -0.03 -0.61 1.88 1.88 0.68 0.00 0.00 175.17 178.96 3hi4 h TYR 69 N 3.22 0.66 -0.34 2.11 0.05 -1.90 0.81 116.97 121.57 3hi4 h TYR 69 Ca -0.32 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.36 3hi4 h TYR 69 Cb 1.20 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 3hi4 h TYR 69 CO 0.45 0.22 -0.28 -0.44 -1.05 0.00 0.00 178.16 177.06 3hi4 h ASP 70 N 0.54 0.84 -0.29 3.88 3.32 -1.97 0.88 116.42 123.62 3hi4 h ASP 70 Ca 0.44 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3hi4 h ASP 70 Cb 0.89 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3hi4 h ASP 70 CO -0.18 1.12 0.03 0.74 -1.72 0.00 0.00 179.24 179.22 3hi4 h THR 71 N 0.58 1.24 -0.71 0.35 2.02 -1.64 -1.96 112.91 112.79 3hi4 h THR 71 Ca 0.06 -0.86 0.10 0.00 0.77 0.00 0.00 66.41 66.48 3hi4 h THR 71 Cb 0.86 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 3hi4 h THR 71 CO 0.07 0.28 0.35 -0.26 0.37 0.00 0.00 175.52 176.33 3hi4 h PHE 72 N 0.31 0.62 -0.58 3.16 0.04 -0.57 0.13 116.94 120.04 3hi4 h PHE 72 Ca 0.09 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 3hi4 h PHE 72 Cb 0.38 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3hi4 h PHE 72 CO 0.03 0.21 0.02 0.00 -0.60 0.00 0.00 178.31 177.97 3hi4 h ALA 73 N 1.44 0.94 -0.23 2.45 0.00 -0.76 -1.28 119.26 121.82 3hi4 h ALA 73 Ca 0.36 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3hi4 h ALA 73 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hi4 h ALA 73 CO -0.28 0.64 -0.52 -0.44 0.00 0.00 0.00 179.25 178.65 3hi4 h ASP 74 N 0.91 0.72 -0.52 0.00 5.19 -0.44 -1.68 116.42 120.61 3hi4 h ASP 74 Ca 0.17 -0.37 0.10 0.00 -0.62 0.00 0.00 57.03 56.31 3hi4 h ASP 74 Cb 0.51 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 39.71 3hi4 h ASP 74 CO 0.02 1.10 -0.10 0.44 -3.12 0.00 0.00 179.24 177.58 3hi4 h ASP 75 N 0.51 -0.43 -0.72 6.45 3.32 -0.50 0.92 116.42 125.97 3hi4 h ASP 75 Ca 0.02 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3hi4 h ASP 75 Cb 1.08 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3hi4 h ASP 75 CO 0.10 -0.16 0.23 0.40 -1.72 0.00 0.00 179.24 178.10 3hi4 h ILE 76 N 0.02 1.26 -0.70 0.35 2.04 -0.83 -0.76 117.51 118.89 3hi4 h ILE 76 Ca 0.25 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3hi4 h ILE 76 Cb 0.39 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3hi4 h ILE 76 CO -0.52 0.35 0.26 0.00 0.00 0.00 0.00 178.15 178.25 3hi4 h ALA 77 N 1.17 1.15 -0.26 1.87 0.00 -0.96 0.11 119.26 122.33 3hi4 h ALA 77 Ca 0.24 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3hi4 h ALA 77 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hi4 h ALA 77 CO -0.01 0.61 -0.40 1.96 0.00 0.00 0.00 179.25 181.41 3hi4 h GLN 78 N 1.02 0.62 -0.11 0.00 4.20 -0.18 -0.04 115.11 120.62 3hi4 h GLN 78 Ca 0.23 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hi4 h GLN 78 Cb 0.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hi4 h GLN 78 CO -0.02 0.91 0.07 1.25 -0.67 0.00 0.00 178.83 180.37 3hi4 h LEU 79 N 0.51 0.13 -0.75 1.46 5.85 -0.57 -0.03 115.31 121.91 3hi4 h LEU 79 Ca 0.04 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hi4 h LEU 79 Cb 0.91 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3hi4 h LEU 79 CO 0.08 0.12 0.41 0.40 -0.34 0.00 0.00 178.44 179.11 3hi4 h ILE 80 N 0.13 1.23 0.00 4.05 2.04 -0.78 -2.35 117.51 121.82 3hi4 h ILE 80 Ca 0.04 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 3hi4 h ILE 80 Cb 0.01 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3hi4 h ILE 80 CO -0.01 0.25 -0.39 -0.33 0.00 0.00 0.00 178.15 177.68 3hi4 h GLU 81 N 1.04 0.00 -0.14 2.37 5.08 -0.78 -1.15 114.58 121.00 3hi4 h GLU 81 Ca 0.26 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3hi4 h GLU 81 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hi4 h GLU 81 CO -0.04 0.39 -0.49 1.25 -1.00 0.00 0.00 179.01 179.11 3hi4 h HIS 82 N 0.00 0.45 -0.02 4.33 2.76 -0.58 -2.99 115.15 119.10 3hi4 h HIS 82 Ca -0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 3hi4 h HIS 82 Cb 0.93 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.79 3hi4 h HIS 82 CO 0.00 0.79 -0.24 1.28 -1.30 0.00 0.00 177.93 178.46 3hi4 n LEU 83 N -3.97 2.40 -3.88 0.26 4.77 -0.92 -4.97 117.00 110.70 3hi4 n LEU 83 Ca -0.02 -0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 54.83 3hi4 n LEU 83 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3hi4 n LEU 83 CO 0.44 0.42 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.14 3hi4 n ASP 84 N 0.58 -1.41 -4.77 -1.43 2.03 -0.52 -4.93 116.55 106.10 3hi4 n ASP 84 Ca 0.11 -0.91 -0.34 0.00 0.52 0.00 0.00 54.79 54.16 3hi4 n ASP 84 Cb 0.50 -3.51 0.02 0.00 -0.72 0.00 0.00 41.12 37.42 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 -6.92 3.60 -0.05 -2.67 1.43 -0.69 -5.03 118.68 108.36 3hi4 s LEU 85 Ca 0.14 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.26 3hi4 s LEU 85 Cb -0.07 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.60 3hi4 s LEU 85 CO 0.86 -1.44 0.30 -0.54 0.23 0.00 0.00 176.35 175.76 3hi4 s LYS 86 N -3.58 0.56 -1.44 1.70 1.02 -1.26 -4.87 119.74 111.86 3hi4 s LYS 86 Ca 0.71 0.02 -0.10 0.00 0.02 0.00 0.00 55.97 56.63 3hi4 s LYS 86 Cb -0.24 0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.38 3hi4 s LYS 86 CO 0.33 -0.13 0.97 0.39 -0.92 0.00 0.00 175.35 175.99 3hi4 n GLU 87 N 1.85 -5.93 -2.81 1.68 1.02 -0.71 -4.60 120.64 111.15 3hi4 n GLU 87 Ca -0.19 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 3hi4 n GLU 87 Cb 0.57 -5.52 -0.05 0.00 -0.02 0.00 0.00 31.44 26.42 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 -3.38 4.54 -0.26 2.62 0.11 -0.17 -4.21 120.40 119.65 3hi4 s VAL 88 Ca 0.49 1.93 -0.18 0.00 -2.93 0.00 0.00 61.98 61.29 3hi4 s VAL 88 Cb -0.24 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.33 3hi4 s VAL 88 CO 0.80 0.35 0.50 -0.89 -3.33 0.00 0.00 175.10 172.53 3hi4 s THR 89 N -0.12 5.08 -0.12 5.04 2.01 -0.60 0.26 115.64 127.19 3hi4 s THR 89 Ca 0.44 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.12 3hi4 s THR 89 Cb -0.23 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3hi4 s THR 89 CO 0.28 0.10 0.45 -0.76 -0.69 0.00 0.00 174.62 173.99 3hi4 s LEU 90 N 2.23 4.28 -0.15 4.42 1.43 -0.46 -0.65 118.68 129.77 3hi4 s LEU 90 Ca 0.21 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3hi4 s LEU 90 Cb -0.16 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.45 3hi4 s LEU 90 CO 0.09 0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.89 3hi4 s VAL 91 N 0.53 1.48 -0.05 -1.59 1.01 0.11 -0.34 120.40 121.55 3hi4 s VAL 91 Ca 0.24 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3hi4 s VAL 91 Cb -0.15 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3hi4 s VAL 91 CO 0.09 0.38 -0.24 -0.83 0.00 0.00 0.00 175.10 174.51 3hi4 s GLY 92 N 1.51 1.22 -0.17 4.51 0.00 -0.23 0.42 107.32 114.59 3hi4 s GLY 92 Ca 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 3hi4 s GLY 92 CO -0.10 -0.63 -0.09 -0.12 0.00 0.00 0.00 173.10 172.16 3hi4 s PHE 93 N -0.19 2.89 0.00 1.90 5.36 -0.31 -0.34 117.98 127.28 3hi4 s PHE 93 Ca -0.02 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3hi4 s PHE 93 Cb -0.13 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 3hi4 s PHE 93 CO 0.03 -0.33 0.00 0.45 -1.46 0.00 0.00 175.22 173.91 3hi4 n SER 94 N 3.99 0.00 0.29 6.13 2.88 0.74 -0.73 113.62 126.92 3hi4 n SER 94 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 3hi4 n SER 94 Cb 0.52 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.94 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 0.69 114.93 112.31 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 0.00 0.41 -0.00 0.00 0.00 176.91 177.32 3hi4 n GLY 96 N -1.24 -1.56 0.29 -3.00 0.00 0.09 -1.40 105.19 98.36 3hi4 n GLY 96 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.97 3hi4 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hi4 h GLY 97 N 4.84 0.45 1.09 -0.02 0.00 -0.97 -3.14 103.07 105.32 3hi4 h GLY 97 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3hi4 h GLY 97 CO 0.00 0.19 -0.52 -1.33 0.00 0.00 0.00 176.54 174.88 3hi4 h GLY 98 N 0.55 0.88 2.00 4.60 0.00 -1.34 -2.49 103.07 107.27 3hi4 h GLY 98 Ca 0.11 -1.05 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 3hi4 h GLY 98 CO -0.01 0.94 -0.30 1.29 0.00 0.00 0.00 176.54 178.46 3hi4 h ASP 99 N 0.56 0.00 -0.26 0.19 3.04 -1.60 -2.22 116.42 116.13 3hi4 h ASP 99 Ca 0.01 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.65 3hi4 h ASP 99 Cb 1.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.42 3hi4 h ASP 99 CO 0.12 0.30 -0.42 -0.37 -2.04 0.00 0.00 179.24 176.83 3hi4 h VAL 100 N 0.00 1.30 -0.43 4.15 -1.51 -1.52 -0.42 116.25 117.82 3hi4 h VAL 100 Ca -0.00 -1.62 0.01 0.00 -1.23 0.00 0.00 66.70 63.86 3hi4 h VAL 100 Cb 1.21 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 3hi4 h VAL 100 CO 0.04 0.52 0.27 0.00 -1.23 0.00 0.00 177.57 177.17 3hi4 h ALA 101 N 0.66 0.54 0.00 5.19 0.00 -1.41 -2.35 119.26 121.89 3hi4 h ALA 101 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hi4 h ALA 101 Cb 1.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hi4 h ALA 101 CO 0.10 -0.03 -0.56 -0.09 0.00 0.00 0.00 179.25 178.67 3hi4 h ARG 102 N 0.56 0.00 0.05 0.00 9.65 -1.38 0.15 114.38 123.41 3hi4 h ARG 102 Ca 0.16 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3hi4 h ARG 102 Cb -0.04 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 3hi4 h ARG 102 CO -0.05 0.56 -0.15 -0.92 2.80 0.00 0.00 179.97 182.21 3hi4 h TYR 103 N 0.00 -0.38 -0.09 2.20 3.20 -0.85 -0.30 116.97 120.74 3hi4 h TYR 103 Ca -0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3hi4 h TYR 103 Cb 1.02 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 3hi4 h TYR 103 CO 0.00 -0.22 -0.11 0.82 -1.64 0.00 0.00 178.16 177.02 3hi4 h ILE 104 N -0.27 0.70 -0.98 1.81 2.04 -0.76 0.39 117.51 120.44 3hi4 h ILE 104 Ca 0.03 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.11 3hi4 h ILE 104 Cb 0.30 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 3hi4 h ILE 104 CO -0.11 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.67 3hi4 h ALA 105 N 0.92 2.05 0.00 1.87 0.00 -0.57 0.63 119.26 124.15 3hi4 h ALA 105 Ca 0.07 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3hi4 h ALA 105 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hi4 h ALA 105 CO -0.18 -0.40 -2.06 0.54 0.00 0.00 0.00 179.25 177.15 3hi4 n ARG 106 N -4.63 0.67 0.00 0.00 1.74 -0.14 -4.48 116.66 109.82 3hi4 n ARG 106 Ca 0.22 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3hi4 n ARG 106 Cb 0.72 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3hi4 n ARG 106 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hi4 n HIS 107 N -2.67 0.00 -0.07 -1.55 8.25 0.07 -5.09 115.22 114.16 3hi4 n HIS 107 Ca -0.20 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.27 3hi4 n HIS 107 Cb 0.94 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.05 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 0.85 -1.32 1.03 -1.41 0.00 0.20 -4.69 105.19 99.85 3hi4 n GLY 108 Ca 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.20 4.11 -0.01 1.61 3.41 -1.26 -4.55 113.62 115.73 3hi4 n SER 109 Ca 0.00 -2.93 0.03 0.00 -0.26 0.00 0.00 58.87 55.72 3hi4 n SER 109 Cb 0.03 -0.54 0.41 0.00 -0.26 0.00 0.00 64.21 63.84 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 2.18 1.67 -0.14 7.33 0.00 -1.98 -0.57 119.26 127.75 3hi4 h ALA 110 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hi4 h ALA 110 Cb 1.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hi4 h ALA 110 CO 0.25 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3hi4 n ARG 111 N -4.46 1.48 -5.09 0.00 1.74 -1.26 -4.70 116.66 104.37 3hi4 n ARG 111 Ca 0.03 -0.73 -0.32 0.00 -0.77 0.00 0.00 57.85 56.06 3hi4 n ARG 111 Cb 0.07 -1.31 -0.16 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.82 2.42 -0.07 1.55 1.01 -0.22 -1.00 120.40 122.27 3hi4 s VAL 112 Ca 0.26 -0.91 0.20 0.00 0.00 0.00 0.00 61.98 61.53 3hi4 s VAL 112 Cb 0.14 -1.94 -0.30 0.00 0.00 0.00 0.00 36.38 34.27 3hi4 s VAL 112 CO 0.21 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.23 3hi4 n ALA 113 N 3.19 2.49 -3.67 5.51 0.00 0.14 -4.77 120.51 123.40 3hi4 n ALA 113 Ca -0.18 -0.67 0.01 0.00 0.00 0.00 0.00 53.44 52.60 3hi4 n ALA 113 Cb 0.52 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 3hi4 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hi4 s GLY 114 N -4.62 -0.36 -0.01 0.00 0.00 -1.22 -4.25 107.32 96.85 3hi4 s GLY 114 Ca -0.08 0.57 -0.00 0.00 0.00 0.00 0.00 44.72 45.20 3hi4 s GLY 114 CO 0.85 0.61 0.02 -2.27 0.00 0.00 0.00 173.10 172.32 3hi4 s LEU 115 N -3.06 1.58 -0.07 0.66 2.96 0.20 -1.36 118.68 119.60 3hi4 s LEU 115 Ca 0.15 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3hi4 s LEU 115 Cb 0.04 0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.75 3hi4 s LEU 115 CO -0.03 -0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.13 3hi4 s VAL 116 N 0.45 1.21 -0.25 1.68 1.01 0.54 -1.49 120.40 123.53 3hi4 s VAL 116 Ca -0.04 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3hi4 s VAL 116 Cb -0.05 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.28 3hi4 s VAL 116 CO -0.01 0.37 -0.11 -0.76 0.00 0.00 0.00 175.10 174.59 3hi4 s LEU 117 N 0.68 3.32 -0.21 3.92 1.43 -0.08 -1.06 118.68 126.67 3hi4 s LEU 117 Ca -0.14 -1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 51.62 3hi4 s LEU 117 Cb -0.16 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3hi4 s LEU 117 CO 0.04 -0.17 -0.01 -0.76 0.23 0.00 0.00 176.35 175.67 3hi4 s LEU 118 N 1.14 3.12 -1.47 1.79 1.43 0.53 -1.39 118.68 123.84 3hi4 s LEU 118 Ca -0.07 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3hi4 s LEU 118 Cb -0.19 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.34 3hi4 s LEU 118 CO -0.06 0.03 0.26 0.61 0.23 0.00 0.00 176.35 177.42 3hi4 n GLY 119 N 4.48 -0.22 3.86 -3.19 0.00 -0.52 -0.19 105.19 109.41 3hi4 n GLY 119 Ca -0.17 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.52 3.18 -0.80 4.61 0.00 -1.26 -2.76 121.76 121.20 3hi4 s ALA 120 Ca 0.37 0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.60 3hi4 s ALA 120 Cb -0.21 -2.96 0.94 0.00 0.00 0.00 0.00 23.12 20.88 3hi4 s ALA 120 CO 0.86 -0.16 1.76 1.33 0.00 0.00 0.00 175.76 179.55 3hi4 n VAL 121 N -1.50 0.53 -1.84 0.00 0.24 -1.10 -4.30 118.33 110.37 3hi4 n VAL 121 Ca 0.05 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.95 3hi4 n VAL 121 Cb 0.54 -0.74 0.04 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.10 2.20 -0.59 3.34 -4.23 -1.26 -2.62 115.64 109.38 3hi4 s THR 122 Ca 0.10 0.15 0.24 0.00 -1.18 0.00 0.00 61.69 60.99 3hi4 s THR 122 Cb 0.13 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3hi4 s THR 122 CO 0.49 -0.01 1.19 -0.81 -0.54 0.00 0.00 174.62 174.94 3hi4 n PRO 123 N -1.09 0.32 -3.54 3.99 -0.04 -1.26 -3.50 135.00 129.88 3hi4 n PRO 123 Ca 0.11 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 3hi4 n PRO 123 Cb 0.46 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -4.23 -0.44 -0.10 1.53 0.05 -1.08 0.44 118.68 114.86 3hi4 s LEU 124 Ca 0.05 0.38 -0.11 0.00 0.05 0.00 0.00 54.13 54.49 3hi4 s LEU 124 Cb 0.13 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.32 3hi4 s LEU 124 CO 0.76 -0.49 -0.22 0.33 -0.55 0.00 0.00 176.35 176.18 3hi4 n PHE 125 N 0.53 0.00 -1.71 3.48 -0.00 -1.22 -4.70 117.46 113.84 3hi4 n PHE 125 Ca -0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.03 3hi4 n PHE 125 Cb 0.59 -0.32 0.07 0.00 -0.00 0.00 0.00 39.48 39.82 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 -4.39 1.62 0.37 7.13 0.00 -0.87 -1.35 107.32 109.83 3hi4 s GLY 126 Ca -0.18 -0.28 -0.28 0.00 0.00 0.00 0.00 44.72 43.98 3hi4 s GLY 126 CO 0.27 0.12 1.45 -1.06 0.00 0.00 0.00 173.10 173.89 3hi4 n GLN 127 N -3.24 2.57 -4.31 2.90 6.02 0.87 -4.45 117.38 117.75 3hi4 n GLN 127 Ca 0.07 0.90 -0.17 0.00 -0.01 0.00 0.00 57.00 57.79 3hi4 n GLN 127 Cb 0.57 -2.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.12 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 -2.07 1.23 0.29 -1.09 -0.14 -1.21 -4.88 119.74 111.87 3hi4 s LYS 128 Ca 0.54 -1.54 0.03 0.00 -1.36 0.00 0.00 55.97 53.64 3hi4 s LYS 128 Cb -0.49 -0.93 0.68 0.00 -1.68 0.00 0.00 37.83 35.41 3hi4 s LYS 128 CO 0.64 0.14 1.72 -1.35 -0.76 0.00 0.00 175.35 175.74 3hi4 h PRO 129 N 2.64 0.49 -0.24 -1.68 0.11 -2.02 0.10 132.00 131.39 3hi4 h PRO 129 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hi4 h PRO 129 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hi4 h PRO 129 CO 0.63 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3hi4 n ASP 130 N -4.96 1.09 -2.86 -2.05 5.75 -1.26 -4.33 116.55 107.92 3hi4 n ASP 130 Ca 0.21 -2.02 -0.12 0.00 -0.01 0.00 0.00 54.79 52.85 3hi4 n ASP 130 Cb 0.59 -0.16 0.02 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.05 0.36 0.15 2.11 9.36 0.34 -4.92 117.16 124.62 3hi4 n TYR 131 Ca 0.06 -3.08 0.07 0.00 3.32 0.00 0.00 57.90 58.27 3hi4 n TYR 131 Cb 0.18 -0.17 0.36 0.00 -0.63 0.00 0.00 39.34 39.09 3hi4 n TYR 131 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hi4 n PRO 132 N 0.05 0.09 0.00 2.98 -0.04 -1.17 -0.36 135.00 136.55 3hi4 n PRO 132 Ca 0.14 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 3hi4 n PRO 132 Cb 0.76 -1.76 0.46 0.00 -0.04 0.00 0.00 33.50 32.92 3hi4 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hi4 n GLN 133 N -1.95 0.07 -0.32 0.54 0.00 -1.26 -4.81 117.38 109.65 3hi4 n GLN 133 Ca -0.00 0.13 -0.09 0.00 0.00 0.00 0.00 57.00 57.04 3hi4 n GLN 133 Cb 0.05 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 28.86 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 0.61 -2.41 3.75 2.61 0.00 0.52 -4.94 105.19 105.32 3hi4 n GLY 134 Ca 0.06 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.60 4.99 0.37 1.61 1.01 -0.46 -4.39 120.40 121.93 3hi4 s VAL 135 Ca 0.20 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 63.12 3hi4 s VAL 135 Cb -0.02 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 3hi4 s VAL 135 CO 0.16 0.37 1.50 -2.84 0.00 0.00 0.00 175.10 174.28 3hi4 s PRO 136 N 0.13 4.11 0.54 2.72 0.02 -1.26 -0.09 135.00 141.17 3hi4 s PRO 136 Ca 0.31 2.57 0.19 0.00 0.02 0.00 0.00 61.00 64.09 3hi4 s PRO 136 Cb -0.17 -2.97 1.41 0.00 0.02 0.00 0.00 34.50 32.78 3hi4 s PRO 136 CO 0.16 -0.54 2.17 -0.07 -0.33 0.00 0.00 177.00 178.39 3hi4 h LEU 137 N 3.19 0.00 -1.60 -5.54 3.38 -1.94 -1.93 115.31 110.88 3hi4 h LEU 137 Ca -0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 3hi4 h LEU 137 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hi4 h LEU 137 CO 0.66 0.00 -0.15 -2.24 0.09 0.00 0.00 178.44 176.80 3hi4 h ASP 138 N 0.00 0.00 -0.07 -0.43 -0.00 -1.98 0.10 116.42 114.03 3hi4 h ASP 138 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3hi4 h ASP 138 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.35 3hi4 h ASP 138 CO -0.00 0.15 0.04 0.58 -0.00 0.00 0.00 179.24 180.01 3hi4 h VAL 139 N 0.00 1.07 -0.34 4.15 2.07 -1.71 -0.82 116.25 120.66 3hi4 h VAL 139 Ca -0.00 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3hi4 h VAL 139 Cb 0.50 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3hi4 h VAL 139 CO 0.02 0.06 -0.26 -0.26 0.02 0.00 0.00 177.57 177.15 3hi4 h PHE 140 N 0.05 0.78 -0.35 1.57 0.04 -1.49 -2.19 116.94 115.34 3hi4 h PHE 140 Ca 0.03 -0.18 0.05 0.00 2.80 0.00 0.00 57.97 60.66 3hi4 h PHE 140 Cb 0.06 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3hi4 h PHE 140 CO -0.05 0.87 0.09 0.00 -0.60 0.00 0.00 178.31 178.62 3hi4 h ALA 141 N 1.12 0.39 -0.45 2.45 0.00 -0.61 0.79 119.26 122.95 3hi4 h ALA 141 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hi4 h ALA 141 Cb 0.75 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3hi4 h ALA 141 CO 0.06 -0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.16 3hi4 h ARG 142 N 0.21 0.68 -0.49 0.00 3.08 -0.92 -2.03 114.38 114.90 3hi4 h ARG 142 Ca 0.17 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.17 3hi4 h ARG 142 Cb 0.17 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 3hi4 h ARG 142 CO -0.20 0.63 0.09 0.74 -1.07 0.00 0.00 179.97 180.16 3hi4 h PHE 143 N 0.58 0.14 -0.85 3.04 0.04 -0.83 -1.79 116.94 117.27 3hi4 h PHE 143 Ca 0.15 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.99 3hi4 h PHE 143 Cb 0.22 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 3hi4 h PHE 143 CO 0.01 -0.02 0.54 0.87 -0.60 0.00 0.00 178.31 179.11 3hi4 h LYS 144 N 0.22 0.98 -0.41 1.51 1.57 -0.50 -0.06 116.57 119.89 3hi4 h LYS 144 Ca 0.25 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3hi4 h LYS 144 Cb 0.34 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3hi4 h LYS 144 CO -0.33 0.65 -0.11 1.15 -0.57 0.00 0.00 179.45 180.24 3hi4 h THR 145 N 1.01 1.25 -0.16 -0.16 2.02 -0.74 -0.16 112.91 115.99 3hi4 h THR 145 Ca 0.35 -1.13 -0.22 0.00 0.77 0.00 0.00 66.41 66.19 3hi4 h THR 145 Cb 0.08 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3hi4 h THR 145 CO -0.14 0.38 -0.76 -0.33 0.37 0.00 0.00 175.52 175.04 3hi4 h GLU 146 N 0.66 0.76 -0.24 6.66 5.08 -0.60 -2.60 114.58 124.30 3hi4 h GLU 146 Ca 0.11 -0.61 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3hi4 h GLU 146 Cb 0.56 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hi4 h GLU 146 CO 0.03 1.22 0.13 -0.07 -1.00 0.00 0.00 179.01 179.32 3hi4 h LEU 147 N 0.53 0.29 -0.55 1.33 3.38 -0.69 0.23 115.31 119.83 3hi4 h LEU 147 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hi4 h LEU 147 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3hi4 h LEU 147 CO 0.15 0.24 0.00 0.18 0.09 0.00 0.00 178.44 179.10 3hi4 n LEU 148 N -4.47 0.85 -0.12 1.67 4.77 -0.10 -2.77 117.00 116.84 3hi4 n LEU 148 Ca 0.01 -0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 3hi4 n LEU 148 Cb 0.10 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3hi4 n LEU 148 CO 0.35 0.14 -1.30 0.29 -1.33 0.00 0.00 177.39 175.54 3hi4 n LYS 149 N -0.33 0.51 -3.26 3.23 5.02 0.12 -4.93 118.16 118.52 3hi4 n LYS 149 Ca 0.21 0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.61 3hi4 n LYS 149 Cb 0.25 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 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 -6.95 -0.11 0.41 4.39 -1.08 0.58 -5.00 116.67 108.90 3hi4 s ASP 150 Ca -0.33 -1.33 0.22 0.00 -0.52 0.00 0.00 52.55 50.59 3hi4 s ASP 150 Cb 0.12 1.19 0.74 0.00 -1.46 0.00 0.00 42.92 43.51 3hi4 s ASP 150 CO 0.44 -0.20 1.75 0.08 0.52 0.00 0.00 175.17 177.75 3hi4 h ARG 151 N 6.83 0.00 -0.23 4.34 0.11 -1.68 -1.87 114.38 121.88 3hi4 h ARG 151 Ca 0.06 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.08 3hi4 h ARG 151 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 3hi4 h ARG 151 CO 0.15 0.28 -0.09 0.00 0.10 0.00 0.00 179.97 180.41 3hi4 h ALA 152 N 1.72 0.32 0.01 0.08 0.00 -1.93 -1.51 119.26 117.94 3hi4 h ALA 152 Ca -0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 3hi4 h ALA 152 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hi4 h ALA 152 CO 0.04 0.15 -0.88 0.37 0.00 0.00 0.00 179.25 178.93 3hi4 h GLN 153 N 0.18 0.13 0.04 0.00 5.75 -1.96 -1.72 115.11 117.53 3hi4 h GLN 153 Ca 0.05 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3hi4 h GLN 153 Cb 0.58 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 3hi4 h GLN 153 CO 0.03 0.92 -0.16 0.35 -2.65 0.00 0.00 178.83 177.33 3hi4 h PHE 154 N 0.07 -0.40 -0.33 3.99 3.57 -1.18 0.21 116.94 122.86 3hi4 h PHE 154 Ca -0.03 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 3hi4 h PHE 154 Cb 1.52 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 3hi4 h PHE 154 CO 0.02 -0.23 -0.19 0.82 -2.23 0.00 0.00 178.31 176.50 3hi4 h ILE 155 N -0.28 1.26 -0.68 1.41 2.04 -1.20 0.71 117.51 120.78 3hi4 h ILE 155 Ca 0.04 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3hi4 h ILE 155 Cb 0.32 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3hi4 h ILE 155 CO -0.12 0.40 0.38 -1.28 0.00 0.00 0.00 178.15 177.53 3hi4 h SER 156 N 0.56 0.84 0.68 1.72 0.87 -0.77 -1.76 113.55 115.68 3hi4 h SER 156 Ca 0.09 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3hi4 h SER 156 Cb 0.64 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3hi4 h SER 156 CO 0.05 0.68 -0.39 0.44 -0.53 0.00 0.00 176.83 177.07 3hi4 h ASP 157 N 0.93 0.00 0.30 6.23 3.32 -0.03 -2.99 116.42 124.17 3hi4 h ASP 157 Ca 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3hi4 h ASP 157 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hi4 h ASP 157 CO -0.04 0.39 -0.13 0.15 -1.72 0.00 0.00 179.24 177.89 3hi4 h PHE 158 N 0.00 0.00 -1.00 4.55 3.04 0.03 -3.06 116.94 120.50 3hi4 h PHE 158 Ca -0.00 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.16 3hi4 h PHE 158 Cb 0.84 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.24 3hi4 h PHE 158 CO 0.00 0.13 0.61 -0.91 -2.02 0.00 0.00 178.31 176.13 3hi4 h ASN 159 N 0.00 0.69 0.21 0.41 2.35 -1.34 -1.27 115.58 116.63 3hi4 h ASN 159 Ca -0.00 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3hi4 h ASN 159 Cb 0.32 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3hi4 h ASN 159 CO 0.02 0.20 -0.10 0.00 -1.65 0.00 0.00 177.43 175.89 3hi4 h ALA 160 N 1.67 -0.28 0.00 -0.83 0.00 -1.76 -2.19 119.26 115.87 3hi4 h ALA 160 Ca 0.60 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3hi4 h ALA 160 Cb 1.09 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hi4 h ALA 160 CO -0.39 -0.40 -0.38 -1.00 0.00 0.00 0.00 179.25 177.08 3hi4 h PRO 161 N -0.81 0.00 -0.58 0.00 0.13 -1.73 0.62 132.00 129.63 3hi4 h PRO 161 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3hi4 h PRO 161 Cb 0.51 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 3hi4 h PRO 161 CO 0.05 0.38 0.28 0.35 -0.23 0.00 0.00 178.00 178.83 3hi4 h PHE 162 N 0.00 0.83 0.00 1.56 3.04 -1.14 -3.15 116.94 118.08 3hi4 h PHE 162 Ca -0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 3hi4 h PHE 162 Cb 0.75 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.00 3hi4 h PHE 162 CO 0.00 0.63 -0.87 0.66 -2.02 0.00 0.00 178.31 176.71 3hi4 n TYR 163 N -4.55 0.06 -0.94 0.41 4.01 -0.83 0.46 117.16 115.78 3hi4 n TYR 163 Ca 0.03 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3hi4 n TYR 163 Cb 0.12 -0.19 0.00 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 1.46 0.43 0.35 2.72 0.00 -0.12 -4.72 105.19 105.32 3hi4 n GLY 164 Ca 0.04 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 0.95 0.00 -0.61 2.04 -1.16 -0.37 117.51 118.36 3hi4 h ILE 165 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hi4 h ILE 165 Cb 0.00 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3hi4 h ILE 165 CO 0.00 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 177.79 3hi4 n ASN 166 N -4.48 0.77 -2.57 1.72 6.94 -1.24 -3.00 115.26 113.40 3hi4 n ASN 166 Ca 0.10 0.64 -0.31 0.00 -0.02 0.00 0.00 54.58 54.99 3hi4 n ASN 166 Cb 0.30 -0.82 0.02 0.00 -2.36 0.00 0.00 39.78 36.91 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 -2.29 3.22 -1.79 -3.83 4.76 -0.29 -4.97 118.16 112.96 3hi4 n LYS 167 Ca 0.03 -4.14 -0.06 0.00 -2.87 0.00 0.00 58.31 51.27 3hi4 n LYS 167 Cb 0.31 -2.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.23 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 -0.53 0.08 3.78 0.72 0.00 -1.16 -5.02 105.19 103.06 3hi4 n GLY 168 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 3hi4 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hi4 s GLN 169 N -3.71 3.29 -0.19 1.61 -1.52 -0.36 -4.99 119.66 113.78 3hi4 s GLN 169 Ca 0.00 1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 54.82 3hi4 s GLN 169 Cb 0.00 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 3hi4 s GLN 169 CO 0.00 -0.87 -0.12 0.08 -0.25 0.00 0.00 175.29 174.14 3hi4 s VAL 170 N -2.11 2.83 -0.02 1.09 1.01 -1.26 -4.33 120.40 117.61 3hi4 s VAL 170 Ca 0.68 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3hi4 s VAL 170 Cb -0.20 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3hi4 s VAL 170 CO 0.32 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 175.23 3hi4 s VAL 171 N 1.19 -0.00 0.95 2.92 1.01 -1.26 -4.99 120.40 120.21 3hi4 s VAL 171 Ca 0.02 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3hi4 s VAL 171 Cb -0.14 -0.12 0.16 0.00 0.00 0.00 0.00 36.38 36.28 3hi4 s VAL 171 CO -0.05 0.10 1.12 -0.94 0.00 0.00 0.00 175.10 175.34 3hi4 s SER 172 N 1.05 2.69 0.37 3.32 1.04 -1.26 -4.89 113.70 116.02 3hi4 s SER 172 Ca -0.09 2.05 0.16 0.00 0.48 0.00 0.00 55.95 58.55 3hi4 s SER 172 Cb -0.13 -2.52 0.72 0.00 0.10 0.00 0.00 66.02 64.20 3hi4 s SER 172 CO -0.03 -3.23 1.79 -0.61 0.98 0.00 0.00 173.24 172.14 3hi4 h GLN 173 N -1.96 0.00 -0.58 4.02 5.75 -2.00 -2.73 115.11 117.60 3hi4 h GLN 173 Ca -0.46 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.00 3hi4 h GLN 173 Cb 1.28 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 3hi4 h GLN 173 CO 0.44 0.39 0.21 0.78 -2.65 0.00 0.00 178.83 177.99 3hi4 h GLY 174 N 1.48 0.96 1.23 2.39 0.00 -1.99 -0.49 103.07 106.66 3hi4 h GLY 174 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 3hi4 h GLY 174 CO 0.05 0.51 -0.06 -2.08 0.00 0.00 0.00 176.54 174.96 3hi4 h VAL 175 N 0.82 1.26 -0.31 4.60 2.07 -1.88 0.29 116.25 123.09 3hi4 h VAL 175 Ca 0.19 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 3hi4 h VAL 175 Cb 0.25 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3hi4 h VAL 175 CO -0.01 0.41 -0.34 1.56 0.02 0.00 0.00 177.57 179.20 3hi4 h GLN 176 N 0.83 0.68 -0.29 1.57 4.20 -1.17 -0.10 115.11 120.83 3hi4 h GLN 176 Ca 0.14 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hi4 h GLN 176 Cb 0.58 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3hi4 h GLN 176 CO 0.03 0.93 0.18 1.15 -0.67 0.00 0.00 178.83 180.45 3hi4 h THR 177 N 0.57 1.10 -0.58 -0.54 2.02 -0.86 -0.94 112.91 113.68 3hi4 h THR 177 Ca 0.06 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 3hi4 h THR 177 Cb 0.86 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3hi4 h THR 177 CO 0.07 0.10 0.02 -0.61 0.37 0.00 0.00 175.52 175.48 3hi4 h GLN 178 N 0.37 1.01 -0.43 6.66 4.15 -0.77 0.65 115.11 126.75 3hi4 h GLN 178 Ca 0.10 -0.31 0.02 0.00 0.77 0.00 0.00 58.65 59.24 3hi4 h GLN 178 Cb 0.01 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3hi4 h GLN 178 CO -0.02 0.99 0.24 1.15 -1.93 0.00 0.00 178.83 179.26 3hi4 h THR 179 N 0.90 1.01 -0.18 2.39 2.02 -0.80 -1.23 112.91 117.03 3hi4 h THR 179 Ca 0.17 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3hi4 h THR 179 Cb 0.52 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3hi4 h THR 179 CO 0.03 0.09 -0.60 0.25 0.37 0.00 0.00 175.52 175.65 3hi4 h LEU 180 N 0.48 0.67 -0.36 2.58 5.85 -0.79 -1.65 115.31 122.09 3hi4 h LEU 180 Ca 0.18 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3hi4 h LEU 180 Cb 0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3hi4 h LEU 180 CO -0.10 1.12 0.18 -0.61 -0.34 0.00 0.00 178.44 178.69 3hi4 h GLN 181 N 0.44 0.50 0.02 1.25 4.15 -0.67 0.69 115.11 121.49 3hi4 h GLN 181 Ca -0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3hi4 h GLN 181 Cb 1.17 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3hi4 h GLN 181 CO 0.11 0.43 -0.01 0.82 -1.93 0.00 0.00 178.83 178.26 3hi4 h ILE 182 N 0.44 1.12 -1.00 2.39 2.04 -1.20 -2.78 117.51 118.54 3hi4 h ILE 182 Ca 0.12 -0.43 0.21 0.00 1.00 0.00 0.00 64.86 65.76 3hi4 h ILE 182 Cb 0.09 1.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.47 3hi4 h ILE 182 CO -0.02 0.11 0.61 0.00 0.00 0.00 0.00 178.15 178.86 3hi4 h ALA 183 N 0.77 1.79 0.00 1.87 0.00 -0.84 -1.27 119.26 121.58 3hi4 h ALA 183 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hi4 h ALA 183 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hi4 h ALA 183 CO 0.00 -0.17 -0.14 -0.07 0.00 0.00 0.00 179.25 178.87 3hi4 h LEU 184 N 0.68 0.00 -1.98 0.00 3.38 -0.61 -2.01 115.31 114.76 3hi4 h LEU 184 Ca 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.53 3hi4 h LEU 184 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hi4 h LEU 184 CO -0.37 0.14 -0.10 -0.07 0.09 0.00 0.00 178.44 178.13 3hi4 h LEU 185 N 0.00 0.00-10.26 1.67 3.38 -1.00 -3.45 115.31 105.65 3hi4 h LEU 185 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 3hi4 h LEU 185 Cb 0.67 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.55 3hi4 h LEU 185 CO 0.02 0.10 0.33 0.00 0.09 0.00 0.00 178.44 178.99 3hi4 s ALA 186 N -4.39 2.26 0.27 1.53 0.00 -0.76 -4.49 121.76 116.19 3hi4 s ALA 186 Ca -0.04 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3hi4 s ALA 186 Cb 0.14 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 3hi4 s ALA 186 CO 0.60 -1.68 1.59 0.45 0.00 0.00 0.00 175.76 176.72 3hi4 s SER 187 N -2.98 6.41 0.15 0.00 0.15 0.72 -4.95 113.70 113.22 3hi4 s SER 187 Ca 0.64 2.90 -0.16 0.00 0.70 0.00 0.00 55.95 60.03 3hi4 s SER 187 Cb -0.19 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.54 3hi4 s SER 187 CO 0.50 -0.90 1.75 0.25 1.20 0.00 0.00 173.24 176.04 3hi4 h LEU 188 N 5.18 0.10 -0.12 3.45 5.85 -1.94 0.02 115.31 127.85 3hi4 h LEU 188 Ca -0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3hi4 h LEU 188 Cb 1.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3hi4 h LEU 188 CO 0.82 0.09 0.07 0.50 -0.34 0.00 0.00 178.44 179.58 3hi4 h LYS 189 N 0.25 0.14 -0.61 1.25 1.63 -1.96 -2.19 116.57 115.08 3hi4 h LYS 189 Ca 0.16 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3hi4 h LYS 189 Cb 0.14 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 3hi4 h LYS 189 CO -0.17 0.09 0.23 0.00 -3.45 0.00 0.00 179.45 176.15 3hi4 h ALA 190 N 1.05 1.27 -0.74 5.00 0.00 -1.80 0.21 119.26 124.24 3hi4 h ALA 190 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hi4 h ALA 190 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hi4 h ALA 190 CO -0.02 0.54 0.27 1.15 0.00 0.00 0.00 179.25 181.19 3hi4 h THR 191 N 0.88 1.26 0.03 0.00 2.02 -0.56 -0.83 112.91 115.70 3hi4 h THR 191 Ca 0.21 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 3hi4 h THR 191 Cb 0.19 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3hi4 h THR 191 CO -0.02 0.33 -0.40 0.58 0.37 0.00 0.00 175.52 176.38 3hi4 h VAL 192 N 1.08 1.55 -0.75 3.16 2.07 -1.13 -3.25 116.25 118.99 3hi4 h VAL 192 Ca 0.24 -2.16 0.07 0.00 0.82 0.00 0.00 66.70 65.67 3hi4 h VAL 192 Cb 0.24 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 3hi4 h VAL 192 CO -0.02 0.60 0.49 0.44 0.02 0.00 0.00 177.57 179.11 3hi4 h ASP 193 N -0.47 0.68 -0.18 0.57 3.32 -0.53 -1.60 116.42 118.21 3hi4 h ASP 193 Ca -0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3hi4 h ASP 193 Cb 1.21 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 3hi4 h ASP 193 CO 0.08 0.44 0.01 0.00 -1.72 0.00 0.00 179.24 178.04 3hi4 h VAL 195 N 0.41 1.04 -0.44 0.00 2.07 -1.33 0.28 116.25 118.29 3hi4 h VAL 195 Ca 0.09 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3hi4 h VAL 195 Cb 0.26 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 3hi4 h VAL 195 CO 0.01 0.04 0.04 0.74 0.02 0.00 0.00 177.57 178.41 3hi4 h THR 196 N 0.20 0.70 -0.18 2.57 2.02 -1.19 -0.59 112.91 116.45 3hi4 h THR 196 Ca 0.06 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 3hi4 h THR 196 Cb -0.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hi4 h THR 196 CO -0.01 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3hi4 h ALA 197 N 1.37 0.24 0.00 6.16 0.00 -0.66 -1.97 119.26 124.39 3hi4 h ALA 197 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hi4 h ALA 197 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hi4 h ALA 197 CO -0.33 -0.06 0.00 0.27 0.00 0.00 0.00 179.25 179.13 3hi4 h PHE 198 N 0.07 0.00 0.00 0.00 -5.15 -0.93 -2.29 116.94 108.64 3hi4 h PHE 198 Ca 0.05 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.70 3hi4 h PHE 198 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.53 3hi4 h PHE 198 CO 0.03 0.00 -0.55 0.00 -2.00 0.00 0.00 178.31 175.79 3hi4 h ALA 199 N 2.04 0.69 0.00 12.09 0.00 -0.37 -3.40 119.26 130.31 3hi4 h ALA 199 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hi4 h ALA 199 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hi4 h ALA 199 CO 0.00 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.33 3hi4 n GLU 200 N -3.31 4.56 -2.86 0.00 1.02 -0.88 -2.06 120.64 117.10 3hi4 n GLU 200 Ca 0.01 -0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 3hi4 n GLU 200 Cb 0.72 -0.40 -0.05 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.66 4.68 -0.32 2.62 2.01 -0.86 -5.02 115.64 118.09 3hi4 s THR 201 Ca 0.00 1.83 -0.10 0.00 0.31 0.00 0.00 61.69 63.72 3hi4 s THR 201 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3hi4 s THR 201 CO 0.00 0.32 0.18 -0.62 -0.69 0.00 0.00 174.62 173.81 3hi4 s ASP 202 N 0.13 5.68 0.00 3.53 -1.08 -1.26 -4.54 116.67 119.14 3hi4 s ASP 202 Ca 0.43 -0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.14 3hi4 s ASP 202 Cb -0.21 -2.04 0.50 0.00 -1.46 0.00 0.00 42.92 39.71 3hi4 s ASP 202 CO 0.26 -0.22 1.44 0.49 0.52 0.00 0.00 175.17 177.66 3hi4 n PHE 203 N 5.01 0.67 -0.18 -5.34 3.72 0.17 -4.47 117.46 117.04 3hi4 n PHE 203 Ca -0.13 -0.35 -0.01 0.00 -0.05 0.00 0.00 57.45 56.91 3hi4 n PHE 203 Cb 0.49 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.12 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 4.34 0.31 -0.60 -1.08 3.08 -1.81 0.46 114.38 119.07 3hi4 h ARG 204 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.13 3hi4 h ARG 204 Cb 0.98 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3hi4 h ARG 204 CO 0.00 0.20 0.41 -1.35 -1.07 0.00 0.00 179.97 178.16 3hi4 h PRO 205 N 0.32 0.40 -0.74 0.04 0.11 -1.92 -2.31 132.00 127.89 3hi4 h PRO 205 Ca 0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3hi4 h PRO 205 Cb 0.36 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3hi4 h PRO 205 CO -0.32 0.26 0.31 -0.44 -0.21 0.00 0.00 178.00 177.60 3hi4 h ASP 206 N 0.41 1.02 -0.71 -2.05 5.19 -1.24 -2.57 116.42 116.46 3hi4 h ASP 206 Ca 0.28 -0.17 0.10 0.00 -0.62 0.00 0.00 57.03 56.63 3hi4 h ASP 206 Cb 0.55 -0.26 -0.08 0.00 0.18 0.00 0.00 39.33 39.73 3hi4 h ASP 206 CO -0.08 0.91 0.33 0.24 -3.12 0.00 0.00 179.24 177.52 3hi4 h MET 207 N 1.07 0.54 0.00 3.56 2.86 -0.73 -1.68 114.93 120.54 3hi4 h MET 207 Ca 0.25 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hi4 h MET 207 Cb 0.20 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3hi4 h MET 207 CO -0.02 0.36 -0.06 0.00 1.06 0.00 0.00 176.91 178.24 3hi4 h ALA 208 N 1.45 1.11 -0.00 6.32 0.00 -1.51 -2.45 119.26 124.18 3hi4 h ALA 208 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hi4 h ALA 208 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hi4 h ALA 208 CO -0.30 0.08 -0.12 1.63 0.00 0.00 0.00 179.25 180.54 3hi4 n LYS 209 N -3.32 0.37 -2.83 0.00 4.76 -0.64 -4.80 118.16 111.70 3hi4 n LYS 209 Ca -0.01 -0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 54.90 3hi4 n LYS 209 Cb 0.23 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 3hi4 n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hi4 s ILE 210 N -2.70 4.31 -0.40 -0.18 1.01 -0.92 -4.87 121.20 117.45 3hi4 s ILE 210 Ca 0.22 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3hi4 s ILE 210 Cb 0.19 -4.73 0.47 0.00 0.01 0.00 0.00 42.46 38.40 3hi4 s ILE 210 CO 0.52 -1.52 1.49 -0.90 0.00 0.00 0.00 174.94 174.54 3hi4 n ASP 211 N 7.75 5.12 -4.27 3.58 5.75 -1.26 -4.46 116.55 128.76 3hi4 n ASP 211 Ca 0.01 -3.77 -0.18 0.00 -0.01 0.00 0.00 54.79 50.84 3hi4 n ASP 211 Cb 0.46 -0.59 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 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 -4.35 1.41 0.47 2.12 -7.23 -1.26 -5.11 120.40 106.45 3hi4 s VAL 212 Ca 0.53 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 3hi4 s VAL 212 Cb 0.44 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.59 3hi4 s VAL 212 CO 0.02 -0.51 1.41 -2.65 -0.31 0.00 0.00 175.10 173.06 3hi4 n PRO 213 N 0.20 2.11 -3.78 4.82 -0.02 -1.26 -4.80 135.00 132.26 3hi4 n PRO 213 Ca -0.13 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3hi4 n PRO 213 Cb 0.58 -2.61 -0.14 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 -1.22 -0.04 -0.12 3.45 2.01 -1.26 -0.63 115.64 117.84 3hi4 s THR 214 Ca 0.64 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.79 3hi4 s THR 214 Cb -0.44 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 71.90 3hi4 s THR 214 CO 0.55 0.05 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.13 3hi4 s LEU 215 N 0.80 1.92 -0.20 4.42 2.96 -0.56 -1.08 118.68 126.94 3hi4 s LEU 215 Ca -0.06 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3hi4 s LEU 215 Cb -0.08 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3hi4 s LEU 215 CO -0.03 0.05 0.01 -0.69 -1.32 0.00 0.00 176.35 174.37 3hi4 s VAL 216 N 0.87 4.02 -0.04 1.68 1.01 0.11 -0.91 120.40 127.15 3hi4 s VAL 216 Ca -0.07 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3hi4 s VAL 216 Cb -0.15 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3hi4 s VAL 216 CO -0.01 0.42 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 3hi4 s ILE 217 N 1.00 1.73 -0.03 2.22 1.01 -0.49 -0.05 121.20 126.59 3hi4 s ILE 217 Ca 0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 3hi4 s ILE 217 Cb -0.14 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.90 3hi4 s ILE 217 CO 0.02 0.49 0.41 -2.28 0.00 0.00 0.00 174.94 173.58 3hi4 s HIS 218 N -0.18 -0.32 -0.09 3.97 2.46 -0.82 -1.44 115.29 118.86 3hi4 s HIS 218 Ca -0.00 0.55 -0.15 0.00 0.47 0.00 0.00 55.06 55.93 3hi4 s HIS 218 Cb -0.11 0.18 -0.05 0.00 -0.13 0.00 0.00 32.58 32.47 3hi4 s HIS 218 CO 0.02 -0.43 0.37 0.20 -2.47 0.00 0.00 174.74 172.43 3hi4 s GLY 219 N -1.18 2.35 0.00 1.59 0.00 -1.26 -1.08 107.32 107.74 3hi4 s GLY 219 Ca -0.12 -0.31 0.16 0.00 0.00 0.00 0.00 44.72 44.45 3hi4 s GLY 219 CO 0.05 0.38 1.44 2.09 0.00 0.00 0.00 173.10 177.06 3hi4 n ASP 220 N 2.92 1.36 -1.36 1.64 5.75 -1.11 -2.38 116.55 123.37 3hi4 n ASP 220 Ca -0.12 -1.78 0.06 0.00 -0.01 0.00 0.00 54.79 52.94 3hi4 n ASP 220 Cb 0.52 -0.12 0.28 0.00 -1.03 0.00 0.00 41.12 40.77 3hi4 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hi4 n GLY 221 N 1.01 2.25 3.61 6.12 0.00 -0.18 -4.75 105.19 113.25 3hi4 n GLY 221 Ca 0.13 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.71 6.05 0.00 1.61 -1.08 -1.00 -4.57 116.67 116.98 3hi4 s ASP 222 Ca 0.39 1.42 0.27 0.00 -0.52 0.00 0.00 52.55 54.11 3hi4 s ASP 222 Cb 0.27 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.18 3hi4 s ASP 222 CO 0.16 -1.56 1.72 0.00 0.52 0.00 0.00 175.17 176.01 3hi4 n GLN 223 N 8.18 0.35 -0.08 4.34 6.02 -1.26 -4.27 117.38 130.66 3hi4 n GLN 223 Ca 0.22 -0.14 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 3hi4 n GLN 223 Cb 0.46 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 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 -1.20 1.00 -3.89 5.09 2.08 -1.26 -4.88 119.36 116.29 3hi4 n ILE 224 Ca 0.10 -0.21 -0.34 0.00 0.56 0.00 0.00 62.75 62.86 3hi4 n ILE 224 Cb 0.31 -1.77 -0.13 0.00 -0.75 0.00 0.00 39.64 37.31 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 -2.34 2.81 0.01 1.39 1.01 -1.26 -5.08 120.40 116.93 3hi4 s VAL 225 Ca -0.24 -2.25 -0.30 0.00 0.00 0.00 0.00 61.98 59.19 3hi4 s VAL 225 Cb 0.09 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3hi4 s VAL 225 CO 0.31 -0.66 1.75 -2.16 0.00 0.00 0.00 175.10 174.34 3hi4 s PRO 226 N 0.97 4.17 0.23 2.72 0.04 -1.26 -4.75 135.00 137.12 3hi4 s PRO 226 Ca 0.10 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 3hi4 s PRO 226 Cb -0.21 -3.93 0.37 0.00 0.04 0.00 0.00 34.50 30.77 3hi4 s PRO 226 CO -0.06 -0.85 1.67 0.35 0.04 0.00 0.00 177.00 178.16 3hi4 h PHE 227 N 9.52 0.10 0.00 0.56 3.04 -1.81 -2.70 116.94 125.65 3hi4 h PHE 227 Ca -0.43 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.55 3hi4 h PHE 227 Cb 1.20 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.77 3hi4 h PHE 227 CO 0.88 -0.13 -0.06 0.93 -2.02 0.00 0.00 178.31 177.91 3hi4 h GLU 228 N 0.19 0.00 -0.23 1.11 4.39 -1.95 -1.44 114.58 116.64 3hi4 h GLU 228 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 3hi4 h GLU 228 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3hi4 h GLU 228 CO -0.52 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 177.65 3hi4 n THR 229 N -4.12 0.88 0.00 1.13 -2.24 -1.10 -4.46 114.28 104.38 3hi4 n THR 229 Ca -0.03 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3hi4 n THR 229 Cb 0.15 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.28 0.00 -0.25 4.28 -2.24 -0.90 -4.60 114.28 110.85 3hi4 n THR 230 Ca 0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 3hi4 n THR 230 Cb 0.36 -0.02 0.12 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.67 0.94 3.38 0.00 -1.55 0.42 103.07 106.93 3hi4 h GLY 231 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.51 3hi4 h GLY 231 CO 0.00 -0.28 0.27 1.70 0.00 0.00 0.00 176.54 178.23 3hi4 h LYS 232 N 0.05 0.52 -0.13 4.80 3.64 -1.55 -1.48 116.57 122.42 3hi4 h LYS 232 Ca 0.37 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.54 3hi4 h LYS 232 Cb 0.62 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hi4 h LYS 232 CO -0.69 0.35 -0.68 0.28 -2.27 0.00 0.00 179.45 176.44 3hi4 h VAL 233 N 0.54 1.34 -0.70 2.00 2.07 -1.42 -3.00 116.25 117.09 3hi4 h VAL 233 Ca 0.17 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 3hi4 h VAL 233 Cb -0.02 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3hi4 h VAL 233 CO -0.06 0.61 0.34 0.00 0.02 0.00 0.00 177.57 178.48 3hi4 h ALA 234 N 0.88 1.28 -0.15 1.67 0.00 0.27 -0.39 119.26 122.81 3hi4 h ALA 234 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3hi4 h ALA 234 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hi4 h ALA 234 CO 0.12 0.56 -0.33 0.00 0.00 0.00 0.00 179.25 179.60 3hi4 h ALA 235 N 1.38 1.15 -0.01 0.00 0.00 -1.21 -1.83 119.26 118.74 3hi4 h ALA 235 Ca 0.24 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 3hi4 h ALA 235 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hi4 h ALA 235 CO -0.03 0.55 -0.87 0.93 0.00 0.00 0.00 179.25 179.82 3hi4 h GLU 236 N 0.27 0.33 0.00 0.00 5.08 -1.26 -3.34 114.58 115.67 3hi4 h GLU 236 Ca 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3hi4 h GLU 236 Cb 0.72 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3hi4 h GLU 236 CO 0.05 1.02 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.96 3hi4 h LEU 237 N 0.20 0.00 -8.94 1.33 3.38 -0.66 -3.43 115.31 107.18 3hi4 h LEU 237 Ca -0.06 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.28 3hi4 h LEU 237 Cb 1.49 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.08 3hi4 h LEU 237 CO 0.14 0.05 -0.47 -0.63 0.09 0.00 0.00 178.44 177.62 3hi4 s ILE 238 N -3.21 5.30 0.17 1.22 1.01 -0.73 -4.53 121.20 120.44 3hi4 s ILE 238 Ca 0.06 0.23 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 3hi4 s ILE 238 Cb 0.05 -3.55 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 3hi4 s ILE 238 CO 0.67 0.25 1.69 -0.75 0.00 0.00 0.00 174.94 176.81 3hi4 s LYS 239 N 1.68 4.16 0.00 2.79 2.20 -1.26 -2.16 119.74 127.14 3hi4 s LYS 239 Ca 0.08 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3hi4 s LYS 239 Cb -0.16 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3hi4 s LYS 239 CO 0.10 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 3hi4 n GLY 240 N 3.96 2.92 3.51 5.54 0.00 -1.26 -4.88 105.19 114.98 3hi4 n GLY 240 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.00 -1.06 -2.77 4.61 0.00 -0.92 -4.75 120.51 115.62 3hi4 n ALA 241 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 3hi4 n ALA 241 Cb 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.53 3.04 -0.11 0.00 2.12 -0.24 -4.96 118.70 117.04 3hi4 s GLU 242 Ca 0.62 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.48 3hi4 s GLU 242 Cb -0.69 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 3hi4 s GLU 242 CO 0.58 0.65 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.58 3hi4 s LEU 243 N -1.69 2.31 -0.13 2.70 2.96 -1.26 -0.71 118.68 122.85 3hi4 s LEU 243 Ca 0.22 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3hi4 s LEU 243 Cb -0.12 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.10 3hi4 s LEU 243 CO 0.13 0.17 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.59 3hi4 s LYS 244 N 0.28 3.09 -0.23 1.98 1.02 0.93 -4.97 119.74 121.84 3hi4 s LYS 244 Ca -0.15 -0.83 -0.08 0.00 0.02 0.00 0.00 55.97 54.94 3hi4 s LYS 244 Cb -0.17 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3hi4 s LYS 244 CO 0.07 0.05 0.09 0.08 -0.92 0.00 0.00 175.35 174.72 3hi4 s VAL 245 N 0.68 4.68 -0.27 3.17 1.01 -1.26 -1.95 120.40 126.46 3hi4 s VAL 245 Ca -0.10 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 3hi4 s VAL 245 Cb -0.16 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3hi4 s VAL 245 CO 0.01 0.37 0.78 -0.31 0.00 0.00 0.00 175.10 175.95 3hi4 s TYR 246 N 1.13 3.27 0.03 5.22 1.51 -0.24 -4.97 117.35 123.30 3hi4 s TYR 246 Ca 0.05 0.97 -0.30 0.00 -1.01 0.00 0.00 57.07 56.77 3hi4 s TYR 246 Cb -0.14 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.58 3hi4 s TYR 246 CO 0.04 -0.44 1.54 0.21 -1.11 0.00 0.00 175.55 175.79 3hi4 s LYS 247 N 2.81 4.23 0.00 -0.62 2.47 -1.26 -2.03 119.74 125.34 3hi4 s LYS 247 Ca 0.32 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.89 3hi4 s LYS 247 Cb -0.15 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 3hi4 s LYS 247 CO 0.09 -0.68 0.00 -0.25 0.16 0.00 0.00 175.35 174.68 3hi4 n ASP 248 N 5.63 -4.69 -4.76 1.43 8.00 -1.26 -4.90 116.55 116.00 3hi4 n ASP 248 Ca 0.15 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 3hi4 n ASP 248 Cb 0.42 -2.98 0.02 0.00 -0.02 0.00 0.00 41.12 38.57 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hi4 s ALA 249 N -0.85 2.88 0.67 2.24 0.00 -0.86 -4.23 121.76 121.61 3hi4 s ALA 249 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3hi4 s ALA 249 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hi4 s ALA 249 CO 0.00 -1.13 0.00 -0.35 0.00 0.00 0.00 175.76 174.28 3hi4 n PRO 250 N -0.83 0.40 -0.05 0.00 -0.04 -1.26 -1.01 135.00 132.20 3hi4 n PRO 250 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 3hi4 n PRO 250 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 3hi4 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hi4 h HIS 251 N -0.63 0.32 0.00 0.54 -0.00 -1.78 -3.29 115.15 110.31 3hi4 h HIS 251 Ca 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 3hi4 h HIS 251 Cb 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 3hi4 h HIS 251 CO 0.00 0.47 -0.15 0.41 -0.00 0.00 0.00 177.93 178.66 3hi4 n GLY 252 N -0.40 2.47 0.00 5.26 0.00 0.17 -4.54 105.19 108.15 3hi4 n GLY 252 Ca -0.05 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 2.21 0.00 0.32 1.61 1.16 -1.24 -1.43 117.46 120.09 3hi4 n PHE 253 Ca 0.22 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 56.01 3hi4 n PHE 253 Cb 0.63 -0.50 1.06 0.00 -1.61 0.00 0.00 39.48 39.06 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 2.91 1.00 0.00 1.98 0.00 -1.88 0.37 119.26 123.64 3hi4 h ALA 254 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hi4 h ALA 254 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hi4 h ALA 254 CO 0.00 0.00 -1.37 0.28 0.00 0.00 0.00 179.25 178.16 3hi4 n VAL 255 N -3.05 1.50 0.21 0.00 0.31 -0.52 -3.93 118.33 112.85 3hi4 n VAL 255 Ca -0.02 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.36 3hi4 n VAL 255 Cb 0.13 -2.16 0.46 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.83 -0.57 2.52 1.35 -1.43 -3.23 112.91 111.38 3hi4 h THR 256 Ca -0.28 -1.17 -0.41 0.00 -0.55 0.00 0.00 66.41 64.00 3hi4 h THR 256 Cb 1.12 1.71 -0.37 0.00 -1.73 0.00 0.00 68.15 68.89 3hi4 h THR 256 CO -0.17 0.28 -0.85 1.41 -0.25 0.00 0.00 175.52 175.95 3hi4 n HIS 257 N -3.65 2.02 0.02 4.73 -0.00 0.13 -4.91 115.22 113.57 3hi4 n HIS 257 Ca -0.01 -2.05 -0.10 0.00 -0.00 0.00 0.00 57.72 55.56 3hi4 n HIS 257 Cb 0.41 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 30.06 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 2.08 -0.05 0.03 -1.41 0.00 -1.59 -0.97 119.26 117.35 3hi4 h ALA 258 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hi4 h ALA 258 Cb 1.43 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3hi4 h ALA 258 CO 0.53 -0.57 -0.01 0.37 0.00 0.00 0.00 179.25 179.57 3hi4 h GLN 259 N -0.13 -0.04 -0.44 0.00 4.15 -1.90 0.28 115.11 117.02 3hi4 h GLN 259 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.56 3hi4 h GLN 259 Cb 0.22 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 3hi4 h GLN 259 CO -0.15 0.14 -0.01 0.37 -1.93 0.00 0.00 178.83 177.25 3hi4 h GLN 260 N -0.22 0.10 -0.36 1.69 4.15 -1.93 0.96 115.11 119.50 3hi4 h GLN 260 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hi4 h GLN 260 Cb 0.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3hi4 h GLN 260 CO 0.01 0.06 0.23 1.25 -1.93 0.00 0.00 178.83 178.45 3hi4 h LEU 261 N 0.10 0.40 -0.75 -2.39 5.85 -0.98 0.25 115.31 117.80 3hi4 h LEU 261 Ca 0.22 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.03 3hi4 h LEU 261 Cb 0.32 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 3hi4 h LEU 261 CO -0.37 0.29 0.39 0.78 -0.34 0.00 0.00 178.44 179.19 3hi4 h ASN 262 N 0.48 0.51 -0.24 1.25 2.35 0.75 0.33 115.58 121.01 3hi4 h ASN 262 Ca 0.13 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3hi4 h ASN 262 Cb -0.05 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3hi4 h ASN 262 CO -0.03 0.28 -0.39 -0.33 -1.65 0.00 0.00 177.43 175.31 3hi4 h GLU 263 N 0.64 0.68 -0.81 0.81 5.08 -0.27 0.28 114.58 120.99 3hi4 h GLU 263 Ca 0.37 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3hi4 h GLU 263 Cb 0.40 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3hi4 h GLU 263 CO -0.28 1.04 0.44 -0.44 -1.00 0.00 0.00 179.01 178.77 3hi4 h ASP 264 N 0.39 1.01 -0.43 1.42 3.32 -0.10 0.24 116.42 122.27 3hi4 h ASP 264 Ca 0.02 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3hi4 h ASP 264 Cb 0.99 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3hi4 h ASP 264 CO 0.09 0.81 0.13 -0.07 -1.72 0.00 0.00 179.24 178.48 3hi4 h LEU 265 N 1.13 0.63 -0.42 1.55 3.38 -0.07 -1.51 115.31 120.01 3hi4 h LEU 265 Ca 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hi4 h LEU 265 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hi4 h LEU 265 CO -0.05 0.67 0.10 0.25 0.09 0.00 0.00 178.44 179.51 3hi4 h LEU 266 N 0.56 0.63 -1.01 1.67 5.85 -0.17 -2.11 115.31 120.72 3hi4 h LEU 266 Ca 0.14 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3hi4 h LEU 266 Cb 0.27 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3hi4 h LEU 266 CO -0.00 0.70 0.66 0.00 -0.34 0.00 0.00 178.44 179.45 3hi4 h ALA 267 N 0.96 1.34 -0.51 1.25 0.00 -0.47 -1.82 119.26 120.00 3hi4 h ALA 267 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hi4 h ALA 267 Cb 0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hi4 h ALA 267 CO 0.00 0.56 0.16 0.35 0.00 0.00 0.00 179.25 180.32 3hi4 h PHE 268 N 1.28 0.83 -0.29 0.00 3.57 -0.89 -0.25 116.94 121.18 3hi4 h PHE 268 Ca 0.40 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3hi4 h PHE 268 Cb 0.00 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3hi4 h PHE 268 CO -0.00 0.72 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.69 3hi4 h LEU 269 N 0.70 0.43 0.05 0.59 3.38 -1.10 -2.98 115.31 116.38 3hi4 h LEU 269 Ca 0.16 -0.09 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 3hi4 h LEU 269 Cb 0.28 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hi4 h LEU 269 CO -0.00 0.53 -1.15 0.11 0.09 0.00 0.00 178.44 178.02 3hi4 h LYS 270 N 0.44 0.61 0.00 1.13 1.57 -0.73 -3.52 116.57 116.08 3hi4 h LYS 270 Ca 0.09 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 3hi4 h LYS 270 Cb 0.36 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hi4 h LYS 270 CO 0.01 1.33 0.00 2.89 -0.57 0.00 0.00 179.45 183.11