#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 0.14 0.09 0.44 -4.23 -1.26 -0.18 115.64 110.64 3hi4 s THR 2 Ca 0.00 -1.14 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3hi4 s THR 2 Cb 0.00 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3hi4 s THR 2 CO 0.00 -0.63 -0.02 0.72 -0.54 0.00 0.00 174.62 174.15 3hi4 s PHE 3 N -2.91 0.74 -0.24 3.99 -0.12 -0.90 -4.97 117.98 113.58 3hi4 s PHE 3 Ca -0.02 -1.07 -0.07 0.00 -0.05 0.00 0.00 56.93 55.72 3hi4 s PHE 3 Cb 0.01 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 3hi4 s PHE 3 CO -0.06 -0.34 0.06 0.08 -0.05 0.00 0.00 175.22 174.91 3hi4 s VAL 4 N -3.86 4.34 1.01 -2.49 1.01 -1.26 -0.81 120.40 118.34 3hi4 s VAL 4 Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3hi4 s VAL 4 Cb 0.07 -3.01 0.20 0.00 0.00 0.00 0.00 36.38 33.63 3hi4 s VAL 4 CO -0.05 0.36 1.08 0.00 0.00 0.00 0.00 175.10 176.49 3hi4 s ALA 5 N 1.41 0.74 0.29 5.51 0.00 0.96 -4.85 121.76 125.82 3hi4 s ALA 5 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3hi4 s ALA 5 Cb -0.15 -3.21 0.71 0.00 0.00 0.00 0.00 23.12 20.48 3hi4 s ALA 5 CO 0.03 -3.00 1.68 -0.22 0.00 0.00 0.00 175.76 174.26 3hi4 h LYS 6 N -2.02 0.33 -0.08 0.00 3.64 -1.96 0.56 116.57 117.04 3hi4 h LYS 6 Ca -0.54 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3hi4 h LYS 6 Cb 1.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3hi4 h LYS 6 CO 0.53 0.22 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 3hi4 n ASP 7 N -5.10 0.69 0.00 4.20 3.85 -1.26 -4.88 116.55 114.05 3hi4 n ASP 7 Ca 0.22 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 3hi4 n ASP 7 Cb 0.66 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 3hi4 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hi4 n GLY 8 N 0.88 0.56 3.70 6.12 0.00 0.19 -5.06 105.19 111.59 3hi4 n GLY 8 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.29 3.62 -0.08 2.61 2.01 -1.26 -4.72 115.64 115.53 3hi4 s THR 9 Ca 0.00 1.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.90 3hi4 s THR 9 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3hi4 s THR 9 CO 0.00 0.05 0.61 -1.58 -0.69 0.00 0.00 174.62 173.01 3hi4 s GLN 10 N 1.59 4.39 -0.12 4.92 0.74 -1.26 -0.03 119.66 129.90 3hi4 s GLN 10 Ca 0.63 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.77 3hi4 s GLN 10 Cb -0.33 -3.44 -0.00 0.00 1.10 0.00 0.00 33.01 30.34 3hi4 s GLN 10 CO 0.28 0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 175.38 3hi4 s ILE 11 N 0.67 2.47 0.09 -2.34 -1.09 0.01 -1.21 121.20 119.79 3hi4 s ILE 11 Ca 0.33 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.66 3hi4 s ILE 11 Cb -0.17 -2.00 -0.07 0.00 -1.58 0.00 0.00 42.46 38.65 3hi4 s ILE 11 CO 0.15 0.54 0.67 -0.47 -1.23 0.00 0.00 174.94 174.60 3hi4 s TYR 12 N 0.49 3.81 0.13 3.97 5.04 -1.26 -2.13 117.35 127.40 3hi4 s TYR 12 Ca -0.13 1.42 -0.05 0.00 -2.44 0.00 0.00 57.07 55.87 3hi4 s TYR 12 Cb -0.17 -2.65 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 3hi4 s TYR 12 CO 0.05 0.48 0.14 -0.59 -1.34 0.00 0.00 175.55 174.29 3hi4 s PHE 13 N -0.83 0.58 0.08 4.97 -0.71 0.75 -1.14 117.98 121.66 3hi4 s PHE 13 Ca 0.33 -0.98 0.06 0.00 -1.04 0.00 0.00 56.93 55.30 3hi4 s PHE 13 Cb -0.21 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 3hi4 s PHE 13 CO 0.22 -0.57 -0.08 0.15 -1.34 0.00 0.00 175.22 173.59 3hi4 s LYS 14 N -3.98 2.28 -0.26 1.99 1.02 0.12 -1.68 119.74 119.23 3hi4 s LYS 14 Ca 0.17 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 3hi4 s LYS 14 Cb 0.06 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 35.09 3hi4 s LYS 14 CO -0.02 0.53 0.14 0.34 -0.92 0.00 0.00 175.35 175.42 3hi4 s ASP 15 N -2.00 3.01 -0.06 2.83 -1.08 -1.26 -0.56 116.67 117.54 3hi4 s ASP 15 Ca 0.21 -1.03 0.04 0.00 -0.52 0.00 0.00 52.55 51.25 3hi4 s ASP 15 Cb -0.11 -0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.10 3hi4 s ASP 15 CO 0.13 -0.41 -0.19 0.26 0.52 0.00 0.00 175.17 175.47 3hi4 s TRP 16 N 2.14 2.58 0.00 -5.34 0.51 0.93 -4.97 118.94 114.79 3hi4 s TRP 16 Ca 0.07 -0.48 0.00 0.00 -2.12 0.00 0.00 56.10 53.58 3hi4 s TRP 16 Cb -0.16 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 30.86 3hi4 s TRP 16 CO -0.28 -0.05 0.00 0.41 -0.51 0.00 0.00 176.95 176.51 3hi4 n GLY 17 N 2.76 -2.07 3.39 0.98 0.00 -1.26 -1.00 105.19 107.99 3hi4 n GLY 17 Ca -0.17 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.92 0.03 0.00 1.61 1.04 -1.24 -4.64 113.70 106.57 3hi4 s SER 18 Ca 0.00 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3hi4 s SER 18 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3hi4 s SER 18 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3hi4 n GLY 19 N -0.32 0.23 3.77 7.32 0.00 -1.26 -2.86 105.19 112.07 3hi4 n GLY 19 Ca -0.00 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 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 4.16 0.03 1.61 1.02 -1.26 -4.13 119.74 121.16 3hi4 s LYS 20 Ca 0.00 1.93 -0.04 0.00 0.02 0.00 0.00 55.97 57.87 3hi4 s LYS 20 Cb 0.00 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 3hi4 s LYS 20 CO 0.00 -0.26 0.25 -1.25 -0.92 0.00 0.00 175.35 173.18 3hi4 s PRO 21 N -2.12 3.53 -0.14 -1.68 0.04 -1.26 -1.74 135.00 131.63 3hi4 s PRO 21 Ca 0.54 -0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.40 3hi4 s PRO 21 Cb -0.33 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3hi4 s PRO 21 CO 0.42 0.62 -0.17 0.08 0.04 0.00 0.00 177.00 177.99 3hi4 s VAL 22 N -1.39 1.75 -0.15 -0.36 1.01 0.55 -1.17 120.40 120.65 3hi4 s VAL 22 Ca 0.30 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hi4 s VAL 22 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3hi4 s VAL 22 CO 0.20 0.49 -0.09 -0.22 0.00 0.00 0.00 175.10 175.47 3hi4 s LEU 23 N 1.20 2.90 -0.09 3.92 0.20 0.27 -0.88 118.68 126.21 3hi4 s LEU 23 Ca -0.00 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.55 3hi4 s LEU 23 Cb -0.14 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 3hi4 s LEU 23 CO -0.07 0.15 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.71 3hi4 s PHE 24 N 0.45 2.95 -0.20 5.38 0.40 -0.23 -0.67 117.98 126.05 3hi4 s PHE 24 Ca -0.07 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3hi4 s PHE 24 Cb -0.15 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.67 3hi4 s PHE 24 CO 0.04 0.25 -0.09 0.45 0.70 0.00 0.00 175.22 176.57 3hi4 s SER 25 N -0.57 3.43 0.83 1.36 0.15 0.89 -3.83 113.70 115.97 3hi4 s SER 25 Ca 0.09 -0.92 -0.12 0.00 0.70 0.00 0.00 55.95 55.70 3hi4 s SER 25 Cb -0.12 -1.21 0.09 0.00 -1.71 0.00 0.00 66.02 63.08 3hi4 s SER 25 CO 0.02 -0.16 1.16 -1.38 1.20 0.00 0.00 173.24 174.08 3hi4 s HIS 26 N 1.41 2.85 0.46 3.44 -3.43 -1.26 -1.29 115.29 117.47 3hi4 s HIS 26 Ca -0.02 0.80 0.04 0.00 -0.80 0.00 0.00 55.06 55.08 3hi4 s HIS 26 Cb -0.17 -3.45 0.08 0.00 -1.43 0.00 0.00 32.58 27.62 3hi4 s HIS 26 CO -0.08 -1.90 0.63 0.41 -2.00 0.00 0.00 174.74 171.80 3hi4 n GLY 27 N -3.00 1.44 3.79 -1.38 0.00 -1.16 -3.20 105.19 101.69 3hi4 n GLY 27 Ca 0.08 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.81 3.77 -0.82 1.61 -0.00 -1.26 -1.71 118.94 118.72 3hi4 s TRP 28 Ca 0.45 1.54 0.02 0.00 -0.00 0.00 0.00 56.10 58.11 3hi4 s TRP 28 Cb -0.03 -2.72 0.30 0.00 -0.00 0.00 0.00 33.47 31.02 3hi4 s TRP 28 CO 0.29 0.40 1.22 -0.35 -0.00 0.00 0.00 176.95 178.51 3hi4 n PRO 29 N 1.08 3.84 0.00 5.86 -0.04 -1.26 -5.02 135.00 139.46 3hi4 n PRO 29 Ca -0.03 -4.70 0.00 0.00 -0.04 0.00 0.00 63.50 58.73 3hi4 n PRO 29 Cb 0.50 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 0.47 0.00 0.00 1.53 4.77 -0.69 -3.89 117.00 119.19 3hi4 n LEU 30 Ca 0.33 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.29 3hi4 n LEU 30 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3hi4 n LEU 30 CO 0.49 0.00 0.27 -0.90 -1.33 0.00 0.00 177.39 175.92 3hi4 n ASP 31 N 0.00 -0.73 0.34 -1.43 5.68 -1.26 -4.37 116.55 114.77 3hi4 n ASP 31 Ca 0.00 -1.44 0.20 0.00 -0.50 0.00 0.00 54.79 53.05 3hi4 n ASP 31 Cb 0.00 1.20 1.04 0.00 -1.14 0.00 0.00 41.12 42.22 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 1.16 0.00 2.12 0.00 -1.89 -1.90 119.26 120.76 3hi4 h ALA 32 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hi4 h ALA 32 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hi4 h ALA 32 CO 0.15 -0.15 0.00 -0.44 0.00 0.00 0.00 179.25 178.80 3hi4 h ASP 33 N 0.00 0.00 0.42 0.00 5.19 -1.95 -2.35 116.42 117.74 3hi4 h ASP 33 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hi4 h ASP 33 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3hi4 h ASP 33 CO -0.00 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3hi4 h MET 34 N 0.00 0.00 -0.33 3.56 -0.00 -1.75 -2.73 114.93 113.68 3hi4 h MET 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hi4 h MET 34 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 3hi4 h MET 34 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.82 3hi4 n TRP 35 N -3.10 0.43 0.03 -0.10 7.02 -0.88 -4.65 117.44 116.18 3hi4 n TRP 35 Ca -0.02 -0.21 0.01 0.00 -1.02 0.00 0.00 57.50 56.26 3hi4 n TRP 35 Cb 0.17 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.39 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 3.21 0.45 -0.01 -0.99 4.11 -1.63 0.90 114.58 120.61 3hi4 h GLU 36 Ca 0.00 -0.09 -0.20 0.00 0.07 0.00 0.00 59.36 59.14 3hi4 h GLU 36 Cb 0.71 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3hi4 h GLU 36 CO 0.00 0.49 -0.85 1.88 0.07 0.00 0.00 179.01 180.60 3hi4 h TYR 37 N 0.43 0.41 -0.42 2.06 0.05 -1.85 -0.98 116.97 116.66 3hi4 h TYR 37 Ca 0.09 -0.22 -0.10 0.00 0.05 0.00 0.00 58.73 58.56 3hi4 h TYR 37 Cb 0.31 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3hi4 h TYR 37 CO 0.01 1.01 -0.13 1.96 -1.05 0.00 0.00 178.16 179.96 3hi4 h GLN 38 N 0.17 0.84 0.01 4.88 7.50 -1.52 -0.44 115.11 126.54 3hi4 h GLN 38 Ca -0.05 -0.33 -0.00 0.00 0.50 0.00 0.00 58.65 58.77 3hi4 h GLN 38 Cb 1.46 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.95 3hi4 h GLN 38 CO 0.14 0.96 -0.01 0.52 -1.50 0.00 0.00 178.83 178.94 3hi4 h MET 39 N 0.66 -0.01 -0.40 1.46 2.86 -0.85 0.69 114.93 119.33 3hi4 h MET 39 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hi4 h MET 39 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3hi4 h MET 39 CO 0.05 0.13 0.24 1.49 1.06 0.00 0.00 176.91 179.88 3hi4 h GLU 40 N -0.15 0.54 -0.43 1.72 4.22 -1.18 0.68 114.58 119.99 3hi4 h GLU 40 Ca -0.00 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.44 3hi4 h GLU 40 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3hi4 h GLU 40 CO 0.00 0.40 0.18 -0.92 -2.18 0.00 0.00 179.01 176.49 3hi4 h TYR 41 N 0.53 0.33 0.23 0.92 3.20 -0.74 -2.32 116.97 119.11 3hi4 h TYR 41 Ca 0.14 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.70 3hi4 h TYR 41 Cb -0.00 -0.08 0.03 0.00 1.54 0.00 0.00 36.73 38.22 3hi4 h TYR 41 CO -0.04 0.14 -1.52 -0.07 -1.64 0.00 0.00 178.16 175.04 3hi4 h LEU 42 N 0.37 0.77 -1.70 2.82 3.38 -0.66 -3.23 115.31 117.05 3hi4 h LEU 42 Ca 0.20 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3hi4 h LEU 42 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hi4 h LEU 42 CO -0.17 1.69 0.00 0.28 0.09 0.00 0.00 178.44 180.33 3hi4 h SER 43 N 0.13 0.00 -0.58 -0.43 0.02 -0.87 -1.10 113.55 110.72 3hi4 h SER 43 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3hi4 h SER 43 Cb 2.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.68 3hi4 h SER 43 CO 0.25 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.40 3hi4 n SER 44 N -3.05 3.36 -0.74 3.07 3.41 -0.88 -3.62 113.62 115.17 3hi4 n SER 44 Ca 0.00 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.68 3hi4 n SER 44 Cb 0.26 -0.39 0.15 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.35 1.16 -0.31 4.33 1.74 -0.48 -5.01 116.66 119.43 3hi4 n ARG 45 Ca 0.21 -2.87 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 3hi4 n ARG 45 Cb 0.54 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.76 0.84 3.75 -0.13 0.00 -1.11 -5.02 105.19 102.76 3hi4 n GLY 46 Ca 0.15 0.00 -0.27 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 -2.01 3.07 -0.18 1.61 2.02 -0.83 -4.26 117.35 116.78 3hi4 s TYR 47 Ca 0.00 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.49 3hi4 s TYR 47 Cb 0.00 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 3hi4 s TYR 47 CO 0.00 0.52 0.48 0.50 -1.57 0.00 0.00 175.55 175.47 3hi4 s ARG 48 N -2.91 4.23 -0.09 -0.62 3.52 -0.71 -3.72 118.95 118.65 3hi4 s ARG 48 Ca 0.29 0.38 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 3hi4 s ARG 48 Cb -0.10 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3hi4 s ARG 48 CO 0.22 -0.03 -0.23 0.95 -0.81 0.00 0.00 175.30 175.40 3hi4 s THR 49 N 1.26 1.96 -0.01 4.11 -4.23 -0.17 -0.33 115.64 118.23 3hi4 s THR 49 Ca 0.23 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 3hi4 s THR 49 Cb -0.15 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 3hi4 s THR 49 CO 0.09 0.54 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.92 3hi4 s ILE 50 N 0.36 1.29 -0.21 2.99 1.09 -0.05 -0.05 121.20 126.61 3hi4 s ILE 50 Ca -0.18 -0.72 -0.17 0.00 -1.10 0.00 0.00 60.65 58.48 3hi4 s ILE 50 Cb -0.18 -1.08 0.06 0.00 -1.06 0.00 0.00 42.46 40.20 3hi4 s ILE 50 CO 0.08 0.35 0.55 0.00 -0.10 0.00 0.00 174.94 175.82 3hi4 s ALA 51 N -0.41 -1.40 0.35 9.38 0.00 0.28 -1.06 121.76 128.90 3hi4 s ALA 51 Ca 0.06 1.70 0.09 0.00 0.00 0.00 0.00 51.96 53.81 3hi4 s ALA 51 Cb -0.06 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 3hi4 s ALA 51 CO -0.01 -0.28 -0.01 -0.59 0.00 0.00 0.00 175.76 174.87 3hi4 s PHE 52 N 0.71 2.51 -0.35 0.00 -0.71 -1.25 0.14 117.98 119.03 3hi4 s PHE 52 Ca -0.03 -0.47 -0.16 0.00 -1.04 0.00 0.00 56.93 55.22 3hi4 s PHE 52 Cb -0.05 -1.50 -0.01 0.00 -1.21 0.00 0.00 43.02 40.26 3hi4 s PHE 52 CO -0.05 0.49 0.39 -0.51 -1.34 0.00 0.00 175.22 174.21 3hi4 s ASP 53 N -3.69 6.20 0.52 1.98 1.01 -0.30 -3.33 116.67 119.06 3hi4 s ASP 53 Ca 0.34 -0.26 -0.22 0.00 0.71 0.00 0.00 52.55 53.13 3hi4 s ASP 53 Cb 0.01 -2.21 -0.07 0.00 1.01 0.00 0.00 42.92 41.67 3hi4 s ASP 53 CO 0.19 -0.39 1.19 -1.14 0.21 0.00 0.00 175.17 175.22 3hi4 n ARG 54 N 5.46 1.47 -1.52 8.23 0.63 -1.26 -4.36 116.66 125.32 3hi4 n ARG 54 Ca -0.08 0.54 -0.52 0.00 -0.92 0.00 0.00 57.85 56.87 3hi4 n ARG 54 Cb 0.49 -2.35 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 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 -0.64 0.54 -0.15 -0.14 1.85 -1.26 -0.91 116.66 115.95 3hi4 n ARG 55 Ca 0.10 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3hi4 n ARG 55 Cb 0.44 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 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 1.88 1.17 3.32 2.89 0.00 -0.01 -4.97 105.19 109.47 3hi4 n GLY 56 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.61 1.76 0.00 1.61 0.40 -0.09 -0.86 117.98 118.19 3hi4 s PHE 57 Ca 0.00 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 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 0.30 0.00 0.41 0.70 0.00 0.00 175.22 176.63 3hi4 n GLY 58 N 0.31 3.40 1.08 4.36 0.00 -1.26 -2.08 105.19 111.00 3hi4 n GLY 58 Ca -0.13 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 13.87 2.40 -2.18 1.61 1.74 -1.26 -4.67 116.66 128.17 3hi4 n ARG 59 Ca 0.00 -2.12 -0.29 0.00 -0.77 0.00 0.00 57.85 54.66 3hi4 n ARG 59 Cb 0.00 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.42 6.10 0.92 0.55 0.01 -0.88 -4.58 113.70 114.40 3hi4 s SER 60 Ca 0.39 1.16 -0.10 0.00 1.31 0.00 0.00 55.95 58.70 3hi4 s SER 60 Cb 0.22 -2.26 0.15 0.00 0.21 0.00 0.00 66.02 64.33 3hi4 s SER 60 CO 0.31 -0.84 1.13 -1.81 0.41 0.00 0.00 173.24 172.43 3hi4 s ASP 61 N -4.19 2.96 -0.68 2.44 1.01 -0.35 -4.55 116.67 113.32 3hi4 s ASP 61 Ca 0.53 2.07 0.05 0.00 0.71 0.00 0.00 52.55 55.91 3hi4 s ASP 61 Cb -0.11 -2.53 0.27 0.00 1.01 0.00 0.00 42.92 41.56 3hi4 s ASP 61 CO 0.50 -3.06 0.85 0.00 0.21 0.00 0.00 175.17 173.68 3hi4 n GLN 62 N -4.20 2.83 -2.05 8.23 6.02 -1.26 -0.83 117.38 126.13 3hi4 n GLN 62 Ca 0.11 -4.69 -0.39 0.00 -0.01 0.00 0.00 57.00 52.02 3hi4 n GLN 62 Cb 0.52 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 29.50 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 -2.65 3.86 0.22 -1.09 0.04 -1.26 -4.93 135.00 129.18 3hi4 s PRO 63 Ca 0.40 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.49 3hi4 s PRO 63 Cb 0.16 -2.67 0.17 0.00 0.04 0.00 0.00 34.50 32.20 3hi4 s PRO 63 CO -0.01 -0.57 1.75 2.35 0.04 0.00 0.00 177.00 180.56 3hi4 h TRP 64 N 2.48 1.16 -1.74 0.56 2.91 -2.00 -3.45 115.95 115.87 3hi4 h TRP 64 Ca -0.50 -0.12 -0.51 0.00 1.13 0.00 0.00 58.89 58.90 3hi4 h TRP 64 Cb 1.25 -0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 29.52 3hi4 h TRP 64 CO 0.52 0.92 -0.45 0.95 -1.03 0.00 0.00 178.44 179.36 3hi4 s THR 65 N -5.38 3.08 0.00 2.65 -4.23 -1.26 -4.65 115.64 105.86 3hi4 s THR 65 Ca -0.12 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3hi4 s THR 65 Cb 0.15 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3hi4 s THR 65 CO 0.84 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 3hi4 n GLY 66 N -1.36 0.52 2.92 3.99 0.00 -1.26 -4.98 105.19 105.02 3hi4 n GLY 66 Ca -0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 1.01 5.14 -3.70 1.61 3.02 -1.26 -4.51 115.26 116.56 3hi4 n ASN 67 Ca 0.00 -3.11 -0.10 0.00 -0.03 0.00 0.00 54.58 51.34 3hi4 n ASN 67 Cb 0.00 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.64 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 0.96 -0.18 0.39 6.41 1.47 -1.26 -4.64 116.67 119.81 3hi4 s ASP 68 Ca 0.40 -0.43 0.15 0.00 1.18 0.00 0.00 52.55 53.85 3hi4 s ASP 68 Cb 0.08 0.48 0.79 0.00 -0.34 0.00 0.00 42.92 43.93 3hi4 s ASP 68 CO 0.01 -0.88 1.84 1.88 0.68 0.00 0.00 175.17 178.69 3hi4 h TYR 69 N 2.38 0.00 -0.24 2.11 0.05 -1.93 0.80 116.97 120.14 3hi4 h TYR 69 Ca -0.33 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.34 3hi4 h TYR 69 Cb 1.25 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 3hi4 h TYR 69 CO 0.35 0.35 -0.30 -0.44 -1.05 0.00 0.00 178.16 177.07 3hi4 h ASP 70 N 0.00 0.69 -0.69 3.88 3.32 -1.96 0.71 116.42 122.36 3hi4 h ASP 70 Ca -0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3hi4 h ASP 70 Cb 0.66 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3hi4 h ASP 70 CO 0.05 1.04 0.14 0.74 -1.72 0.00 0.00 179.24 179.49 3hi4 h THR 71 N 0.34 1.26 -0.50 0.35 2.02 -1.68 -1.52 112.91 113.19 3hi4 h THR 71 Ca 0.03 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 3hi4 h THR 71 Cb 0.87 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3hi4 h THR 71 CO 0.07 0.39 0.03 -0.26 0.37 0.00 0.00 175.52 176.12 3hi4 h PHE 72 N 1.06 0.87 -0.34 3.16 0.04 -0.53 0.29 116.94 121.50 3hi4 h PHE 72 Ca 0.21 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3hi4 h PHE 72 Cb 0.42 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3hi4 h PHE 72 CO 0.03 0.79 -0.15 0.00 -0.60 0.00 0.00 178.31 178.38 3hi4 h ALA 73 N 1.25 1.11 -0.02 2.45 0.00 -0.65 -1.06 119.26 122.34 3hi4 h ALA 73 Ca 0.15 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 3hi4 h ALA 73 Cb 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hi4 h ALA 73 CO 0.02 0.55 -0.85 -0.44 0.00 0.00 0.00 179.25 178.53 3hi4 h ASP 74 N 0.55 0.79 -0.51 0.00 5.19 -0.38 -1.65 116.42 120.41 3hi4 h ASP 74 Ca 0.09 -0.73 0.10 0.00 -0.62 0.00 0.00 57.03 55.88 3hi4 h ASP 74 Cb 0.57 -0.24 -0.10 0.00 0.18 0.00 0.00 39.33 39.74 3hi4 h ASP 74 CO 0.04 1.41 -0.17 0.44 -3.12 0.00 0.00 179.24 177.84 3hi4 h ASP 75 N 0.25 -0.59 -0.73 6.45 3.32 -0.29 0.96 116.42 125.78 3hi4 h ASP 75 Ca -0.10 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.19 3hi4 h ASP 75 Cb 1.52 0.36 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 3hi4 h ASP 75 CO 0.17 -0.20 0.41 0.40 -1.72 0.00 0.00 179.24 178.29 3hi4 h ILE 76 N -0.05 0.93 -0.44 0.35 2.04 -0.99 -1.85 117.51 117.51 3hi4 h ILE 76 Ca 0.24 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3hi4 h ILE 76 Cb 0.42 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3hi4 h ILE 76 CO -0.55 0.13 0.27 0.00 0.00 0.00 0.00 178.15 178.00 3hi4 h ALA 77 N 1.40 0.55 -0.79 1.87 0.00 -0.53 -0.94 119.26 120.82 3hi4 h ALA 77 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3hi4 h ALA 77 Cb 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hi4 h ALA 77 CO -0.22 -0.05 0.45 1.96 0.00 0.00 0.00 179.25 181.40 3hi4 h GLN 78 N 0.54 1.10 -0.04 0.00 4.20 -0.48 0.52 115.11 120.93 3hi4 h GLN 78 Ca 0.17 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3hi4 h GLN 78 Cb -0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3hi4 h GLN 78 CO -0.07 0.79 -0.06 1.25 -0.67 0.00 0.00 178.83 180.07 3hi4 h LEU 79 N 1.10 -0.19 -0.58 1.46 5.85 -0.49 0.86 115.31 123.32 3hi4 h LEU 79 Ca 0.28 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3hi4 h LEU 79 Cb 0.00 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3hi4 h LEU 79 CO -0.05 -0.09 0.37 0.40 -0.34 0.00 0.00 178.44 178.73 3hi4 h ILE 80 N -0.09 1.10 -0.07 4.05 2.04 -1.08 -1.60 117.51 121.86 3hi4 h ILE 80 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hi4 h ILE 80 Cb 0.15 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3hi4 h ILE 80 CO -0.10 0.13 0.04 -0.33 0.00 0.00 0.00 178.15 177.90 3hi4 h GLU 81 N 0.73 0.09 -1.00 2.37 5.08 -0.58 0.15 114.58 121.43 3hi4 h GLU 81 Ca 0.23 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.75 3hi4 h GLU 81 Cb -0.02 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.11 3hi4 h GLU 81 CO -0.08 0.08 0.62 1.25 -1.00 0.00 0.00 179.01 179.88 3hi4 h HIS 82 N 0.07 1.04 -0.04 4.33 2.76 -0.45 -1.11 115.15 121.75 3hi4 h HIS 82 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3hi4 h HIS 82 Cb 0.01 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.65 3hi4 h HIS 82 CO -0.07 0.28 0.00 1.28 -1.30 0.00 0.00 177.93 178.12 3hi4 n LEU 83 N -4.71 2.61 -3.98 0.26 4.77 -0.64 -4.97 117.00 110.35 3hi4 n LEU 83 Ca 0.22 -0.88 -0.27 0.00 -0.03 0.00 0.00 56.01 55.05 3hi4 n LEU 83 Cb 0.53 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3hi4 n LEU 83 CO 0.24 0.44 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.87 3hi4 n ASP 84 N 1.04 -0.84 -4.78 -1.43 2.03 -0.06 -4.92 116.55 107.59 3hi4 n ASP 84 Ca 0.15 -0.99 -0.35 0.00 0.52 0.00 0.00 54.79 54.12 3hi4 n ASP 84 Cb 0.53 -3.08 -0.01 0.00 -0.72 0.00 0.00 41.12 37.85 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 -7.01 3.83 0.03 -2.67 1.43 -0.58 -5.03 118.68 108.69 3hi4 s LEU 85 Ca 0.11 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3hi4 s LEU 85 Cb -0.06 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3hi4 s LEU 85 CO 0.89 -1.06 -0.04 -0.54 0.23 0.00 0.00 176.35 175.83 3hi4 s LYS 86 N -3.13 0.42 -1.49 1.70 1.02 -1.26 -4.84 119.74 112.16 3hi4 s LYS 86 Ca 0.69 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.78 3hi4 s LYS 86 Cb -0.24 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.21 3hi4 s LYS 86 CO 0.27 -0.05 0.99 0.39 -0.92 0.00 0.00 175.35 176.04 3hi4 n GLU 87 N 1.21 -5.99 -2.76 1.68 1.02 -0.88 -4.48 120.64 110.43 3hi4 n GLU 87 Ca -0.21 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 3hi4 n GLU 87 Cb 0.56 -5.59 -0.04 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.28 4.57 -0.26 2.62 0.11 -0.08 -4.22 120.40 119.86 3hi4 s VAL 88 Ca 0.62 2.01 -0.23 0.00 -2.93 0.00 0.00 61.98 61.45 3hi4 s VAL 88 Cb -0.30 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.25 3hi4 s VAL 88 CO 0.77 0.31 0.78 -0.89 -3.33 0.00 0.00 175.10 172.73 3hi4 s THR 89 N 0.09 4.86 -0.13 5.04 2.01 -0.32 0.25 115.64 127.44 3hi4 s THR 89 Ca 0.46 1.39 -0.18 0.00 0.31 0.00 0.00 61.69 63.67 3hi4 s THR 89 Cb -0.23 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3hi4 s THR 89 CO 0.29 -0.09 0.47 -0.76 -0.69 0.00 0.00 174.62 173.83 3hi4 s LEU 90 N 2.80 4.25 -0.12 4.42 1.43 -0.33 -0.57 118.68 130.57 3hi4 s LEU 90 Ca 0.32 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3hi4 s LEU 90 Cb -0.15 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.42 3hi4 s LEU 90 CO 0.09 -0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.88 3hi4 s VAL 91 N 0.78 1.08 -0.07 -1.59 1.01 0.15 0.00 120.40 121.77 3hi4 s VAL 91 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3hi4 s VAL 91 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3hi4 s VAL 91 CO 0.10 0.35 -0.17 -0.83 0.00 0.00 0.00 175.10 174.55 3hi4 s GLY 92 N 1.68 0.97 -0.16 4.51 0.00 0.33 -0.08 107.32 114.57 3hi4 s GLY 92 Ca 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 3hi4 s GLY 92 CO -0.08 -0.13 -0.01 -0.12 0.00 0.00 0.00 173.10 172.75 3hi4 s PHE 93 N 0.40 3.09 0.00 1.90 5.36 -0.41 -0.60 117.98 127.71 3hi4 s PHE 93 Ca -0.13 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 3hi4 s PHE 93 Cb -0.15 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 3hi4 s PHE 93 CO 0.05 0.02 0.00 0.45 -1.46 0.00 0.00 175.22 174.28 3hi4 n SER 94 N 3.51 0.00 0.32 6.13 2.88 0.16 0.52 113.62 127.15 3hi4 n SER 94 Ca -0.17 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.58 3hi4 n SER 94 Cb 0.52 0.00 1.10 0.00 -0.75 0.00 0.00 64.21 65.09 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 -0.92 114.93 110.70 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 0.01 0.00 0.41 -0.00 0.00 0.00 176.91 177.33 3hi4 n GLY 96 N -0.96 -1.40 0.32 -3.00 0.00 0.18 -1.87 105.19 98.47 3hi4 n GLY 96 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 4.09 0.87 1.46 -0.02 0.00 -1.22 -3.13 103.07 105.13 3hi4 h GLY 97 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.76 3hi4 h GLY 97 CO 0.00 0.38 -0.65 -1.33 0.00 0.00 0.00 176.54 174.94 3hi4 h GLY 98 N 0.90 0.60 1.87 4.60 0.00 -1.52 -2.17 103.07 107.35 3hi4 h GLY 98 Ca 0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3hi4 h GLY 98 CO -0.03 0.69 -0.51 1.29 0.00 0.00 0.00 176.54 177.98 3hi4 h ASP 99 N 0.40 0.00 0.29 0.19 3.04 -1.62 -0.33 116.42 118.39 3hi4 h ASP 99 Ca -0.02 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.58 3hi4 h ASP 99 Cb 1.22 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3hi4 h ASP 99 CO 0.12 0.40 -0.81 -0.37 -2.04 0.00 0.00 179.24 176.54 3hi4 h VAL 100 N 0.00 1.39 -0.68 4.15 -1.51 -1.55 -1.17 116.25 116.88 3hi4 h VAL 100 Ca -0.02 -2.26 -0.07 0.00 -1.23 0.00 0.00 66.70 63.12 3hi4 h VAL 100 Cb 1.32 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 32.68 3hi4 h VAL 100 CO 0.05 0.68 0.15 0.00 -1.23 0.00 0.00 177.57 177.22 3hi4 h ALA 101 N 0.87 0.98 0.00 5.19 0.00 -1.32 -2.93 119.26 122.06 3hi4 h ALA 101 Ca -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3hi4 h ALA 101 Cb 1.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hi4 h ALA 101 CO 0.14 0.65 -0.46 -0.09 0.00 0.00 0.00 179.25 179.49 3hi4 h ARG 102 N 1.03 0.00 0.16 0.00 9.65 -0.95 -0.40 114.38 123.87 3hi4 h ARG 102 Ca 0.21 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 3hi4 h ARG 102 Cb 0.38 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3hi4 h ARG 102 CO 0.00 0.46 -0.28 -0.92 2.80 0.00 0.00 179.97 182.04 3hi4 h TYR 103 N 0.00 -0.74 -0.05 2.20 3.20 -1.19 -0.43 116.97 119.96 3hi4 h TYR 103 Ca -0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hi4 h TYR 103 Cb 1.27 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.81 3hi4 h TYR 103 CO 0.00 -0.39 -0.14 0.82 -1.64 0.00 0.00 178.16 176.81 3hi4 h ILE 104 N -0.51 0.63 -0.70 1.81 2.04 -1.26 0.13 117.51 119.64 3hi4 h ILE 104 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.00 3hi4 h ILE 104 Cb 0.52 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3hi4 h ILE 104 CO -0.13 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.30 3hi4 h ALA 105 N 0.78 0.96 0.00 1.87 0.00 -1.03 0.70 119.26 122.53 3hi4 h ALA 105 Ca 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hi4 h ALA 105 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hi4 h ALA 105 CO -0.18 -0.17 -0.67 0.00 0.00 0.00 0.00 179.25 178.23 3hi4 h ARG 106 N 0.46 0.00 0.00 0.00 3.08 -0.90 -3.40 114.38 113.62 3hi4 h ARG 106 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3hi4 h ARG 106 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3hi4 h ARG 106 CO -0.35 0.12 0.00 0.72 -1.07 0.00 0.00 179.97 179.38 3hi4 n HIS 107 N -2.93 0.00 0.00 3.04 8.25 0.44 -5.07 115.22 118.95 3hi4 n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hi4 n HIS 107 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 0.32 -1.28 0.51 -1.41 0.00 0.22 -4.66 105.19 98.89 3hi4 n GLY 108 Ca 0.00 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.07 2.74 -0.32 1.61 3.41 -1.26 -4.48 113.62 114.24 3hi4 n SER 109 Ca 0.00 -3.25 0.02 0.00 -0.26 0.00 0.00 58.87 55.37 3hi4 n SER 109 Cb 0.00 -0.50 0.15 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.77 1.24 -0.08 7.33 0.00 -1.98 -1.17 119.26 125.37 3hi4 h ALA 110 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hi4 h ALA 110 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hi4 h ALA 110 CO 0.11 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.20 3hi4 n ARG 111 N -4.60 1.30 -4.85 0.00 1.74 -1.26 -4.76 116.66 104.23 3hi4 n ARG 111 Ca 0.13 -0.45 -0.33 0.00 -0.77 0.00 0.00 57.85 56.44 3hi4 n ARG 111 Cb 0.19 -1.28 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.89 2.66 -0.18 1.55 1.01 -0.44 -0.90 120.40 122.19 3hi4 s VAL 112 Ca 0.25 -0.80 0.22 0.00 0.00 0.00 0.00 61.98 61.65 3hi4 s VAL 112 Cb 0.12 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.28 3hi4 s VAL 112 CO 0.19 0.53 0.83 0.00 0.00 0.00 0.00 175.10 176.66 3hi4 n ALA 113 N 3.66 2.69 -3.61 5.51 0.00 0.14 -4.76 120.51 124.13 3hi4 n ALA 113 Ca -0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 3hi4 n ALA 113 Cb 0.53 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 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 -4.38 -0.27 -0.03 0.00 0.00 -1.21 -4.42 107.32 97.02 3hi4 s GLY 114 Ca -0.03 1.66 0.01 0.00 0.00 0.00 0.00 44.72 46.37 3hi4 s GLY 114 CO 0.84 0.55 -0.04 -2.27 0.00 0.00 0.00 173.10 172.18 3hi4 s LEU 115 N -2.16 1.51 -0.09 0.66 2.96 -0.37 -1.18 118.68 120.01 3hi4 s LEU 115 Ca 0.10 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3hi4 s LEU 115 Cb -0.01 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.36 3hi4 s LEU 115 CO -0.04 -0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.14 3hi4 s VAL 116 N 0.59 1.33 -0.27 1.68 1.01 0.10 -0.73 120.40 124.12 3hi4 s VAL 116 Ca -0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3hi4 s VAL 116 Cb -0.10 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3hi4 s VAL 116 CO -0.00 0.40 -0.05 -0.76 0.00 0.00 0.00 175.10 174.69 3hi4 s LEU 117 N 0.85 3.50 -0.26 3.92 1.43 -0.63 -0.52 118.68 126.97 3hi4 s LEU 117 Ca -0.10 -1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 51.83 3hi4 s LEU 117 Cb -0.15 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3hi4 s LEU 117 CO 0.01 -0.19 -0.01 -0.76 0.23 0.00 0.00 176.35 175.63 3hi4 s LEU 118 N 1.25 3.42 -1.68 1.79 1.43 0.23 -0.55 118.68 124.57 3hi4 s LEU 118 Ca -0.04 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.08 3hi4 s LEU 118 Cb -0.18 -1.74 0.14 0.00 0.03 0.00 0.00 46.19 44.44 3hi4 s LEU 118 CO -0.03 -0.15 0.67 0.61 0.23 0.00 0.00 176.35 177.68 3hi4 n GLY 119 N 4.73 -0.39 3.89 -3.19 0.00 0.01 0.40 105.19 110.64 3hi4 n GLY 119 Ca -0.16 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.43 3.48 -0.77 4.61 0.00 -1.26 -2.92 121.76 121.46 3hi4 s ALA 120 Ca 0.62 -0.39 0.26 0.00 0.00 0.00 0.00 51.96 52.45 3hi4 s ALA 120 Cb -0.34 -2.50 0.89 0.00 0.00 0.00 0.00 23.12 21.17 3hi4 s ALA 120 CO 0.94 0.10 1.80 1.33 0.00 0.00 0.00 175.76 179.93 3hi4 n VAL 121 N -1.16 0.50 -1.79 0.00 0.24 -1.02 -4.18 118.33 110.92 3hi4 n VAL 121 Ca 0.00 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.70 3hi4 n VAL 121 Cb 0.54 -0.59 0.04 0.00 -1.47 0.00 0.00 33.84 32.36 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 -3.09 2.08 -0.88 3.34 -4.23 -1.26 -2.22 115.64 109.38 3hi4 s THR 122 Ca 0.11 0.06 0.25 0.00 -1.18 0.00 0.00 61.69 60.93 3hi4 s THR 122 Cb 0.13 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.95 3hi4 s THR 122 CO 0.58 -0.00 1.37 -0.81 -0.54 0.00 0.00 174.62 175.22 3hi4 n PRO 123 N -1.07 0.10 -3.59 3.99 -0.04 -1.26 -3.51 135.00 129.61 3hi4 n PRO 123 Ca 0.11 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 3hi4 n PRO 123 Cb 0.45 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 -3.38 -0.24 -0.04 1.53 -0.00 -0.94 0.51 118.68 116.12 3hi4 s LEU 124 Ca 0.09 0.21 -0.08 0.00 -0.00 0.00 0.00 54.13 54.36 3hi4 s LEU 124 Cb 0.16 1.57 -0.03 0.00 -0.00 0.00 0.00 46.19 47.89 3hi4 s LEU 124 CO 0.71 -0.25 -0.16 0.33 -0.00 0.00 0.00 176.35 176.98 3hi4 n PHE 125 N 0.50 0.00 -2.39 3.48 -0.00 -1.21 -4.69 117.46 113.15 3hi4 n PHE 125 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.14 3hi4 n PHE 125 Cb 0.58 -0.27 0.12 0.00 -0.00 0.00 0.00 39.48 39.92 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 -4.55 1.76 0.55 7.13 0.00 -0.70 -1.60 107.32 109.91 3hi4 s GLY 126 Ca -0.14 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 42.90 3hi4 s GLY 126 CO 0.20 -0.91 1.09 1.20 0.00 0.00 0.00 173.10 174.68 3hi4 s GLN 127 N -5.30 3.40 0.23 2.90 -0.21 0.77 -4.40 119.66 117.04 3hi4 s GLN 127 Ca 0.67 1.47 0.02 0.00 0.02 0.00 0.00 55.36 57.54 3hi4 s GLN 127 Cb -0.06 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 3hi4 s GLN 127 CO 0.46 -0.78 0.04 0.15 -2.12 0.00 0.00 175.29 173.04 3hi4 s LYS 128 N -3.46 1.32 0.33 2.91 -0.14 -0.97 -4.89 119.74 114.84 3hi4 s LYS 128 Ca 0.70 -1.68 0.07 0.00 -1.36 0.00 0.00 55.97 53.70 3hi4 s LYS 128 Cb -0.21 -0.39 0.77 0.00 -1.68 0.00 0.00 37.83 36.33 3hi4 s LYS 128 CO 0.28 -0.19 1.82 -1.35 -0.76 0.00 0.00 175.35 175.14 3hi4 h PRO 129 N 2.48 0.72 -0.61 -1.68 0.11 -2.02 0.94 132.00 131.95 3hi4 h PRO 129 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hi4 h PRO 129 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hi4 h PRO 129 CO 0.63 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.50 3hi4 n ASP 130 N -4.66 5.45 -2.95 -2.05 5.75 -1.26 -4.44 116.55 112.40 3hi4 n ASP 130 Ca 0.21 -2.85 -0.14 0.00 -0.01 0.00 0.00 54.79 52.01 3hi4 n ASP 130 Cb 0.53 -0.67 0.02 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.65 -0.59 0.29 2.11 9.36 0.31 -4.93 117.16 124.37 3hi4 n TYR 131 Ca 0.26 -3.10 0.17 0.00 3.32 0.00 0.00 57.90 58.55 3hi4 n TYR 131 Cb 1.13 0.23 0.83 0.00 -0.63 0.00 0.00 39.34 40.91 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 2.92 0.00 0.00 2.98 0.13 -1.74 -1.61 132.00 134.68 3hi4 h PRO 132 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hi4 h PRO 132 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hi4 h PRO 132 CO 0.37 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.14 3hi4 n GLN 133 N -2.76 0.12 -0.57 0.86 0.00 -1.26 -4.79 117.38 108.97 3hi4 n GLN 133 Ca -0.01 0.22 -0.30 0.00 0.00 0.00 0.00 57.00 56.91 3hi4 n GLN 133 Cb 0.15 -1.67 0.27 0.00 0.00 0.00 0.00 30.24 28.98 3hi4 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3hi4 s GLY 134 N -3.28 1.48 0.02 2.61 0.00 -0.65 -4.96 107.32 102.54 3hi4 s GLY 134 Ca 0.09 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 3hi4 s GLY 134 CO 0.45 0.27 1.11 0.14 0.00 0.00 0.00 173.10 175.08 3hi4 s VAL 135 N -2.47 4.38 0.43 1.40 1.01 -0.63 -4.34 120.40 120.19 3hi4 s VAL 135 Ca 0.69 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 64.12 3hi4 s VAL 135 Cb -0.17 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3hi4 s VAL 135 CO 0.60 0.11 1.46 -2.65 0.00 0.00 0.00 175.10 174.61 3hi4 n PRO 136 N 4.12 2.38 0.25 2.72 -0.02 -1.26 -0.16 135.00 143.03 3hi4 n PRO 136 Ca 0.08 0.84 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 3hi4 n PRO 136 Cb 0.48 -2.65 0.67 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.46 0.00 -1.05 2.45 3.38 -1.94 -1.06 115.31 119.56 3hi4 h LEU 137 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3hi4 h LEU 137 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hi4 h LEU 137 CO 0.62 0.14 0.00 -2.24 0.09 0.00 0.00 178.44 177.05 3hi4 h ASP 138 N 0.00 0.00 -0.43 -0.43 3.04 -1.98 0.23 116.42 116.85 3hi4 h ASP 138 Ca -0.00 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.71 3hi4 h ASP 138 Cb 0.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.61 3hi4 h ASP 138 CO 0.02 0.00 -0.04 0.58 -2.04 0.00 0.00 179.24 177.75 3hi4 h VAL 139 N 0.00 1.27 -0.03 4.15 2.07 -1.55 -2.46 116.25 119.69 3hi4 h VAL 139 Ca 0.00 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 66.26 3hi4 h VAL 139 Cb 0.59 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3hi4 h VAL 139 CO 0.00 0.38 -0.66 -0.26 0.02 0.00 0.00 177.57 177.05 3hi4 h PHE 140 N 0.62 0.18 -0.56 1.57 0.04 -1.41 -2.06 116.94 115.31 3hi4 h PHE 140 Ca 0.12 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3hi4 h PHE 140 Cb 0.55 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3hi4 h PHE 140 CO 0.04 0.75 0.29 0.00 -0.60 0.00 0.00 178.31 178.79 3hi4 h ALA 141 N 1.23 0.72 -0.62 2.45 0.00 -0.86 -0.79 119.26 121.39 3hi4 h ALA 141 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hi4 h ALA 141 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hi4 h ALA 141 CO 0.10 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3hi4 h ARG 142 N 0.76 1.07 -0.76 0.00 3.08 -1.26 -0.80 114.38 116.48 3hi4 h ARG 142 Ca 0.20 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3hi4 h ARG 142 Cb 0.09 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3hi4 h ARG 142 CO -0.03 1.04 0.46 0.74 -1.07 0.00 0.00 179.97 181.11 3hi4 h PHE 143 N 0.98 0.86 -0.54 3.04 0.04 -0.64 -0.12 116.94 120.56 3hi4 h PHE 143 Ca 0.18 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.92 3hi4 h PHE 143 Cb 0.54 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3hi4 h PHE 143 CO 0.04 0.45 0.12 0.87 -0.60 0.00 0.00 178.31 179.19 3hi4 h LYS 144 N 0.87 0.88 -0.32 1.51 1.57 -0.91 0.24 116.57 120.41 3hi4 h LYS 144 Ca 0.32 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3hi4 h LYS 144 Cb 0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hi4 h LYS 144 CO -0.15 0.84 0.08 1.15 -0.57 0.00 0.00 179.45 180.80 3hi4 h THR 145 N 0.78 0.87 -0.33 -0.16 2.02 -0.56 -0.27 112.91 115.25 3hi4 h THR 145 Ca 0.17 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 3hi4 h THR 145 Cb 0.37 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hi4 h THR 145 CO 0.01 0.04 -0.33 -0.33 0.37 0.00 0.00 175.52 175.28 3hi4 h GLU 146 N 0.21 0.71 -0.18 6.66 5.08 -0.39 -2.67 114.58 124.00 3hi4 h GLU 146 Ca 0.15 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3hi4 h GLU 146 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hi4 h GLU 146 CO -0.18 0.94 0.07 -0.07 -1.00 0.00 0.00 179.01 178.77 3hi4 h LEU 147 N 0.60 0.21 -0.61 1.33 3.38 -0.17 -0.26 115.31 119.79 3hi4 h LEU 147 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hi4 h LEU 147 Cb 0.85 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hi4 h LEU 147 CO 0.07 0.20 -0.01 0.18 0.09 0.00 0.00 178.44 178.97 3hi4 n LEU 148 N -4.46 0.96 -0.11 1.67 4.77 -0.15 -2.85 117.00 116.84 3hi4 n LEU 148 Ca -0.00 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.43 3hi4 n LEU 148 Cb 0.12 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3hi4 n LEU 148 CO 0.35 0.16 -1.26 0.29 -1.33 0.00 0.00 177.39 175.61 3hi4 n LYS 149 N -0.28 0.48 -3.27 3.23 5.02 -0.63 -4.96 118.16 117.76 3hi4 n LYS 149 Ca 0.20 0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.62 3hi4 n LYS 149 Cb 0.27 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 -7.01 -0.15 0.33 4.39 -1.08 -0.20 -5.01 116.67 107.94 3hi4 s ASP 150 Ca -0.32 -1.28 0.15 0.00 -0.52 0.00 0.00 52.55 50.58 3hi4 s ASP 150 Cb 0.12 1.22 0.55 0.00 -1.46 0.00 0.00 42.92 43.35 3hi4 s ASP 150 CO 0.40 -0.21 1.69 0.08 0.52 0.00 0.00 175.17 177.65 3hi4 h ARG 151 N 6.89 0.00 0.35 4.34 0.11 -1.71 -2.32 114.38 122.04 3hi4 h ARG 151 Ca 0.06 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 3hi4 h ARG 151 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3hi4 h ARG 151 CO 0.15 0.47 -0.18 0.00 0.10 0.00 0.00 179.97 180.52 3hi4 h ALA 152 N 1.53 -0.48 -0.36 0.08 0.00 -1.95 -1.30 119.26 116.78 3hi4 h ALA 152 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3hi4 h ALA 152 Cb 0.97 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hi4 h ALA 152 CO 0.06 -0.77 -0.24 0.37 0.00 0.00 0.00 179.25 178.67 3hi4 h GLN 153 N -0.48 0.72 -0.24 0.00 5.75 -1.97 -1.34 115.11 117.55 3hi4 h GLN 153 Ca -0.05 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3hi4 h GLN 153 Cb 0.37 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 3hi4 h GLN 153 CO 0.07 0.90 -0.13 0.35 -2.65 0.00 0.00 178.83 177.37 3hi4 h PHE 154 N 0.63 -0.31 -0.36 3.99 3.57 -1.31 0.15 116.94 123.30 3hi4 h PHE 154 Ca 0.09 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3hi4 h PHE 154 Cb 0.74 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3hi4 h PHE 154 CO 0.04 -0.19 -0.11 0.82 -2.23 0.00 0.00 178.31 176.64 3hi4 h ILE 155 N -0.10 1.24 -0.62 1.41 2.04 -1.06 0.18 117.51 120.60 3hi4 h ILE 155 Ca 0.13 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 3hi4 h ILE 155 Cb 0.30 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3hi4 h ILE 155 CO -0.30 0.36 0.11 -1.28 0.00 0.00 0.00 178.15 177.04 3hi4 h SER 156 N 0.57 0.98 0.49 1.72 0.87 -0.88 -1.64 113.55 115.66 3hi4 h SER 156 Ca 0.10 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 3hi4 h SER 156 Cb 0.52 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3hi4 h SER 156 CO 0.03 0.98 -0.50 0.44 -0.53 0.00 0.00 176.83 177.26 3hi4 h ASP 157 N 0.93 0.01 -0.24 6.23 3.32 -0.21 -3.06 116.42 123.40 3hi4 h ASP 157 Ca 0.19 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.31 3hi4 h ASP 157 Cb 0.41 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3hi4 h ASP 157 CO 0.01 0.51 0.18 0.15 -1.72 0.00 0.00 179.24 178.37 3hi4 h PHE 158 N 0.01 0.00 -0.92 4.55 3.04 0.32 -3.17 116.94 120.77 3hi4 h PHE 158 Ca -0.00 0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.14 3hi4 h PHE 158 Cb 0.88 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.28 3hi4 h PHE 158 CO 0.00 0.00 0.47 -0.91 -2.02 0.00 0.00 178.31 175.85 3hi4 h ASN 159 N 0.00 0.51 0.44 0.41 2.35 -1.38 -0.67 115.58 117.24 3hi4 h ASN 159 Ca 0.11 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3hi4 h ASN 159 Cb 0.47 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hi4 h ASN 159 CO -0.00 0.12 -0.21 0.00 -1.65 0.00 0.00 177.43 175.69 3hi4 h ALA 160 N 1.66 -0.60 -0.01 -0.83 0.00 -1.78 -1.54 119.26 116.15 3hi4 h ALA 160 Ca 0.55 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 3hi4 h ALA 160 Cb 0.95 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hi4 h ALA 160 CO -0.45 -0.64 -0.63 -1.00 0.00 0.00 0.00 179.25 176.53 3hi4 h PRO 161 N -0.98 0.05 -0.45 0.00 0.13 -1.72 0.18 132.00 129.21 3hi4 h PRO 161 Ca -0.06 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 65.12 3hi4 h PRO 161 Cb 0.57 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.62 3hi4 h PRO 161 CO 0.10 0.66 -0.09 0.35 -0.23 0.00 0.00 178.00 178.79 3hi4 h PHE 162 N 0.04 -0.19 -0.01 1.56 3.04 -1.08 -2.79 116.94 117.51 3hi4 h PHE 162 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3hi4 h PHE 162 Cb 1.11 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.78 3hi4 h PHE 162 CO 0.00 -0.17 -0.50 0.66 -2.02 0.00 0.00 178.31 176.28 3hi4 n TYR 163 N -5.31 0.00 -2.17 0.41 4.01 -0.59 -0.67 117.16 112.85 3hi4 n TYR 163 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 3hi4 n TYR 163 Cb 0.24 -0.06 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.42 0.01 0.23 2.72 0.00 0.11 -4.70 105.19 104.97 3hi4 n GLY 164 Ca 0.09 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 0.74 0.00 -0.61 2.04 -0.97 -1.23 117.51 117.48 3hi4 h ILE 165 Ca -0.21 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3hi4 h ILE 165 Cb 1.15 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3hi4 h ILE 165 CO 0.25 0.22 0.00 -0.46 0.00 0.00 0.00 178.15 178.16 3hi4 n ASN 166 N -3.66 0.00 -0.87 1.72 6.94 -1.25 -3.22 115.26 114.92 3hi4 n ASN 166 Ca -0.01 -0.38 0.05 0.00 -0.02 0.00 0.00 54.58 54.21 3hi4 n ASN 166 Cb 0.35 -0.19 0.16 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.19 1.19 -0.39 -3.83 4.01 -0.63 -4.98 118.16 112.34 3hi4 n LYS 167 Ca 0.16 -2.97 0.00 0.00 -0.51 0.00 0.00 58.31 54.99 3hi4 n LYS 167 Cb 0.18 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 3hi4 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hi4 n GLY 168 N -0.68 1.56 3.79 0.72 0.00 -1.20 -5.05 105.19 104.34 3hi4 n GLY 168 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.24 3.32 -0.25 1.61 -1.52 -0.56 -5.00 119.66 117.02 3hi4 s GLN 169 Ca 0.00 1.37 0.00 0.00 -1.95 0.00 0.00 55.36 54.78 3hi4 s GLN 169 Cb 0.00 -2.02 0.04 0.00 -0.22 0.00 0.00 33.01 30.81 3hi4 s GLN 169 CO 0.00 -0.83 -0.09 0.08 -0.25 0.00 0.00 175.29 174.20 3hi4 s VAL 170 N -2.17 2.52 -0.05 1.09 1.01 -1.26 -4.38 120.40 117.15 3hi4 s VAL 170 Ca 0.67 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3hi4 s VAL 170 Cb -0.19 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3hi4 s VAL 170 CO 0.32 0.14 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 3hi4 s VAL 171 N 1.24 0.69 0.75 2.92 1.01 -1.26 -4.99 120.40 120.75 3hi4 s VAL 171 Ca -0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3hi4 s VAL 171 Cb -0.18 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.56 3hi4 s VAL 171 CO -0.06 0.26 1.15 -1.54 0.00 0.00 0.00 175.10 174.91 3hi4 n SER 172 N 4.08 1.06 -0.29 3.32 3.41 -1.26 -4.87 113.62 119.07 3hi4 n SER 172 Ca -0.23 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.12 3hi4 n SER 172 Cb 0.51 -1.49 0.31 0.00 -0.26 0.00 0.00 64.21 63.28 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 -0.45 0.82 -0.35 4.33 1.08 -2.00 -2.46 115.11 116.08 3hi4 h GLN 173 Ca -0.47 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 56.75 3hi4 h GLN 173 Cb 1.32 -0.18 -0.07 0.00 -0.05 0.00 0.00 27.48 28.49 3hi4 h GLN 173 CO 0.47 0.54 -0.13 0.78 -0.95 0.00 0.00 178.83 179.54 3hi4 h GLY 174 N 0.84 0.17 1.40 3.46 0.00 -1.99 0.35 103.07 107.30 3hi4 h GLY 174 Ca 0.44 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.88 3hi4 h GLY 174 CO -0.20 -0.16 0.06 -2.08 0.00 0.00 0.00 176.54 174.16 3hi4 h VAL 175 N -0.06 1.22 -0.37 4.60 2.07 -1.83 -1.38 116.25 120.50 3hi4 h VAL 175 Ca 0.18 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3hi4 h VAL 175 Cb 0.33 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3hi4 h VAL 175 CO -0.40 0.31 0.06 1.56 0.02 0.00 0.00 177.57 179.11 3hi4 h GLN 176 N 0.71 0.61 -0.20 1.57 4.20 -0.88 -0.49 115.11 120.63 3hi4 h GLN 176 Ca 0.15 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3hi4 h GLN 176 Cb 0.35 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3hi4 h GLN 176 CO 0.01 0.68 -0.10 1.15 -0.67 0.00 0.00 178.83 179.90 3hi4 h THR 177 N 0.45 0.68 -0.60 -0.54 2.02 -0.20 -1.55 112.91 113.18 3hi4 h THR 177 Ca 0.11 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 3hi4 h THR 177 Cb 0.37 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3hi4 h THR 177 CO 0.01 0.00 0.01 -0.61 0.37 0.00 0.00 175.52 175.30 3hi4 h GLN 178 N -0.08 1.05 -0.60 6.66 4.15 -1.06 0.01 115.11 125.24 3hi4 h GLN 178 Ca 0.11 -0.33 0.09 0.00 0.77 0.00 0.00 58.65 59.29 3hi4 h GLN 178 Cb 0.24 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 3hi4 h GLN 178 CO -0.25 1.02 0.22 1.15 -1.93 0.00 0.00 178.83 179.04 3hi4 h THR 179 N 0.95 0.77 -0.15 2.39 2.02 -0.80 -0.27 112.91 117.81 3hi4 h THR 179 Ca 0.17 -0.14 -0.20 0.00 0.77 0.00 0.00 66.41 67.01 3hi4 h THR 179 Cb 0.55 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3hi4 h THR 179 CO 0.03 0.07 -0.69 0.25 0.37 0.00 0.00 175.52 175.55 3hi4 h LEU 180 N 0.40 0.87 -0.29 2.58 5.85 -0.82 -1.86 115.31 122.04 3hi4 h LEU 180 Ca 0.30 -0.62 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3hi4 h LEU 180 Cb 0.37 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3hi4 h LEU 180 CO -0.31 1.35 0.16 -0.61 -0.34 0.00 0.00 178.44 178.70 3hi4 h GLN 181 N 0.44 0.33 -0.22 1.25 4.15 -0.78 -0.63 115.11 119.66 3hi4 h GLN 181 Ca -0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3hi4 h GLN 181 Cb 1.32 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 3hi4 h GLN 181 CO 0.14 0.22 0.08 0.82 -1.93 0.00 0.00 178.83 178.17 3hi4 h ILE 182 N 0.34 1.17 -0.90 2.39 2.04 -1.01 -3.00 117.51 118.54 3hi4 h ILE 182 Ca 0.11 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.60 3hi4 h ILE 182 Cb 0.01 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3hi4 h ILE 182 CO -0.06 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.84 3hi4 h ALA 183 N 0.93 1.79 0.00 1.87 0.00 -1.00 -1.20 119.26 121.65 3hi4 h ALA 183 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hi4 h ALA 183 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hi4 h ALA 183 CO -0.01 -0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.14 3hi4 h LEU 184 N 0.73 0.00 -1.50 0.00 3.38 -0.97 -1.68 115.31 115.27 3hi4 h LEU 184 Ca 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 3hi4 h LEU 184 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3hi4 h LEU 184 CO -0.21 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 177.99 3hi4 h LEU 185 N 0.00 0.00-10.29 1.67 3.38 -1.21 -3.45 115.31 105.40 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 0.48 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.36 3hi4 h LEU 185 CO 0.00 0.25 0.33 0.00 0.09 0.00 0.00 178.44 179.11 3hi4 s ALA 186 N -4.42 2.31 0.29 1.53 0.00 -0.63 -4.51 121.76 116.32 3hi4 s ALA 186 Ca -0.03 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 3hi4 s ALA 186 Cb 0.15 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 3hi4 s ALA 186 CO 0.70 -1.66 1.19 0.45 0.00 0.00 0.00 175.76 176.44 3hi4 s SER 187 N -3.26 7.06 0.14 0.00 0.15 -0.04 -4.96 113.70 112.80 3hi4 s SER 187 Ca 0.62 2.43 -0.18 0.00 0.70 0.00 0.00 55.95 59.52 3hi4 s SER 187 Cb -0.18 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.50 3hi4 s SER 187 CO 0.53 -0.32 1.78 0.25 1.20 0.00 0.00 173.24 176.68 3hi4 h LEU 188 N 3.81 0.25 -0.62 3.45 5.85 -1.94 -0.47 115.31 125.63 3hi4 h LEU 188 Ca -0.47 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3hi4 h LEU 188 Cb 1.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3hi4 h LEU 188 CO 0.67 0.18 0.30 0.50 -0.34 0.00 0.00 178.44 179.75 3hi4 h LYS 189 N 0.33 0.89 -0.42 1.25 1.63 -1.96 -1.50 116.57 116.80 3hi4 h LYS 189 Ca 0.12 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3hi4 h LYS 189 Cb 0.03 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 3hi4 h LYS 189 CO -0.07 0.72 -0.21 0.00 -3.45 0.00 0.00 179.45 176.43 3hi4 h ALA 190 N 1.13 0.85 -0.95 5.00 0.00 -1.83 0.40 119.26 123.85 3hi4 h ALA 190 Ca 0.21 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hi4 h ALA 190 Cb 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3hi4 h ALA 190 CO -0.03 0.64 0.62 1.15 0.00 0.00 0.00 179.25 181.63 3hi4 h THR 191 N 0.72 1.14 0.06 0.00 2.02 -0.46 -1.13 112.91 115.26 3hi4 h THR 191 Ca 0.10 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.76 3hi4 h THR 191 Cb 0.73 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3hi4 h THR 191 CO 0.06 0.22 -0.55 0.58 0.37 0.00 0.00 175.52 176.19 3hi4 h VAL 192 N 1.18 1.53 -0.93 3.16 2.07 -1.08 -3.24 116.25 118.93 3hi4 h VAL 192 Ca 0.38 -2.40 0.17 0.00 0.82 0.00 0.00 66.70 65.68 3hi4 h VAL 192 Cb 0.04 3.13 -0.08 0.00 -1.52 0.00 0.00 31.29 32.86 3hi4 h VAL 192 CO -0.13 0.62 0.60 0.44 0.02 0.00 0.00 177.57 179.12 3hi4 h ASP 193 N -0.72 0.61 0.08 0.57 3.32 -0.87 -1.16 116.42 118.25 3hi4 h ASP 193 Ca -0.12 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3hi4 h ASP 193 Cb 1.32 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3hi4 h ASP 193 CO 0.03 0.27 -0.22 0.00 -1.72 0.00 0.00 179.24 177.60 3hi4 h VAL 195 N 0.24 1.09 0.06 0.00 2.07 -1.24 0.15 116.25 118.62 3hi4 h VAL 195 Ca 0.04 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3hi4 h VAL 195 Cb 0.54 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3hi4 h VAL 195 CO 0.04 0.09 -0.29 0.74 0.02 0.00 0.00 177.57 178.16 3hi4 h THR 196 N 0.37 0.36 -0.45 2.57 2.02 -1.23 -0.40 112.91 116.14 3hi4 h THR 196 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3hi4 h THR 196 Cb -0.01 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3hi4 h THR 196 CO -0.02 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.16 3hi4 h ALA 197 N 0.26 0.58 0.00 6.16 0.00 -1.06 -1.39 119.26 123.80 3hi4 h ALA 197 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hi4 h ALA 197 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hi4 h ALA 197 CO -0.21 0.04 -0.25 0.27 0.00 0.00 0.00 179.25 179.10 3hi4 h PHE 198 N 0.61 0.00 -0.45 0.00 -5.15 -0.82 -2.08 116.94 109.05 3hi4 h PHE 198 Ca 0.16 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.82 3hi4 h PHE 198 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.11 3hi4 h PHE 198 CO -0.04 0.25 -0.19 0.00 -2.00 0.00 0.00 178.31 176.33 3hi4 h ALA 199 N 1.75 0.81 -0.00 12.09 0.00 -0.53 -3.38 119.26 129.99 3hi4 h ALA 199 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hi4 h ALA 199 Cb 1.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hi4 h ALA 199 CO 0.03 0.65 -0.36 0.39 0.00 0.00 0.00 179.25 179.97 3hi4 n GLU 200 N -4.12 3.82 -3.13 0.00 1.02 -0.57 -1.72 120.64 115.93 3hi4 n GLU 200 Ca 0.00 -0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.65 3hi4 n GLU 200 Cb 0.43 -0.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.70 5.07 -0.35 2.62 2.01 -0.79 -5.00 115.64 117.51 3hi4 s THR 201 Ca 0.04 1.29 -0.13 0.00 0.31 0.00 0.00 61.69 63.20 3hi4 s THR 201 Cb 0.07 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3hi4 s THR 201 CO 0.32 0.29 0.24 -0.62 -0.69 0.00 0.00 174.62 174.16 3hi4 s ASP 202 N 0.65 6.02 0.00 3.53 -1.08 -1.26 -4.54 116.67 119.99 3hi4 s ASP 202 Ca 0.34 -0.51 0.23 0.00 -0.52 0.00 0.00 52.55 52.09 3hi4 s ASP 202 Cb -0.17 -2.13 0.36 0.00 -1.46 0.00 0.00 42.92 39.52 3hi4 s ASP 202 CO 0.16 -0.27 1.35 0.49 0.52 0.00 0.00 175.17 177.43 3hi4 n PHE 203 N 5.10 0.36 -0.34 -5.34 3.72 0.18 -4.47 117.46 116.67 3hi4 n PHE 203 Ca -0.12 -0.19 0.12 0.00 -0.05 0.00 0.00 57.45 57.21 3hi4 n PHE 203 Cb 0.49 -0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.33 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 4.49 0.71 -0.35 -1.08 3.08 -1.80 -0.86 114.38 118.57 3hi4 h ARG 204 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hi4 h ARG 204 Cb 0.98 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3hi4 h ARG 204 CO 0.00 0.47 0.07 -1.35 -1.07 0.00 0.00 179.97 178.09 3hi4 h PRO 205 N 0.73 0.52 -0.39 0.04 0.11 -1.92 -1.97 132.00 129.12 3hi4 h PRO 205 Ca 0.56 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.54 3hi4 h PRO 205 Cb 0.85 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3hi4 h PRO 205 CO -0.38 0.50 0.07 -0.44 -0.21 0.00 0.00 178.00 177.54 3hi4 h ASP 206 N 0.51 0.55 -0.81 -2.05 5.19 -1.49 -2.75 116.42 115.57 3hi4 h ASP 206 Ca 0.12 -0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.48 3hi4 h ASP 206 Cb 0.23 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 3hi4 h ASP 206 CO -0.00 0.57 0.53 0.24 -3.12 0.00 0.00 179.24 177.46 3hi4 h MET 207 N 0.58 0.96 0.00 3.56 2.86 -0.54 -1.83 114.93 120.52 3hi4 h MET 207 Ca 0.13 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3hi4 h MET 207 Cb 0.26 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hi4 h MET 207 CO 0.00 0.63 -0.19 0.00 1.06 0.00 0.00 176.91 178.41 3hi4 h ALA 208 N 1.53 1.01 -0.00 6.32 0.00 -1.54 -2.75 119.26 123.83 3hi4 h ALA 208 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hi4 h ALA 208 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hi4 h ALA 208 CO -0.10 0.24 -0.17 1.63 0.00 0.00 0.00 179.25 180.85 3hi4 n LYS 209 N -3.34 0.70 -2.83 0.00 4.76 -0.70 -4.80 118.16 111.95 3hi4 n LYS 209 Ca 0.00 -0.31 -0.43 0.00 -2.87 0.00 0.00 58.31 54.71 3hi4 n LYS 209 Cb 0.42 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.52 4.42 -0.20 -0.18 1.01 -1.04 -4.85 121.20 117.85 3hi4 s ILE 210 Ca 0.26 0.52 0.12 0.00 0.00 0.00 0.00 60.65 61.56 3hi4 s ILE 210 Cb 0.20 -4.49 0.42 0.00 0.01 0.00 0.00 42.46 38.60 3hi4 s ILE 210 CO 0.50 -0.98 1.21 -0.90 0.00 0.00 0.00 174.94 174.77 3hi4 n ASP 211 N 7.33 1.80 -4.48 3.58 5.75 -1.26 -4.40 116.55 124.87 3hi4 n ASP 211 Ca 0.04 -3.72 -0.25 0.00 -0.01 0.00 0.00 54.79 50.84 3hi4 n ASP 211 Cb 0.48 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.97 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 -3.02 2.63 0.37 2.12 -7.23 -1.26 -5.11 120.40 108.91 3hi4 s VAL 212 Ca 0.38 -2.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 3hi4 s VAL 212 Cb 0.37 -2.33 -0.12 0.00 0.56 0.00 0.00 36.38 34.87 3hi4 s VAL 212 CO -0.07 -0.25 0.98 -2.65 -0.31 0.00 0.00 175.10 172.80 3hi4 n PRO 213 N -0.22 1.32 -3.74 4.82 -0.02 -1.26 -4.80 135.00 131.09 3hi4 n PRO 213 Ca -0.09 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 61.72 3hi4 n PRO 213 Cb 0.58 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.07 -0.15 3.45 2.01 -1.26 -1.23 115.64 117.17 3hi4 s THR 214 Ca 0.61 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.81 3hi4 s THR 214 Cb -0.61 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3hi4 s THR 214 CO 0.58 0.08 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.24 3hi4 s LEU 215 N 1.31 2.59 -0.21 4.42 2.96 0.09 -0.48 118.68 129.36 3hi4 s LEU 215 Ca -0.08 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 3hi4 s LEU 215 Cb -0.12 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 3hi4 s LEU 215 CO -0.06 0.10 0.11 -0.69 -1.32 0.00 0.00 176.35 174.49 3hi4 s VAL 216 N 0.73 5.10 -0.04 1.68 1.01 0.72 -1.61 120.40 127.99 3hi4 s VAL 216 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3hi4 s VAL 216 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3hi4 s VAL 216 CO 0.01 0.41 -0.20 -0.63 0.00 0.00 0.00 175.10 174.70 3hi4 s ILE 217 N 0.65 1.63 -0.09 2.22 1.01 0.29 -0.60 121.20 126.31 3hi4 s ILE 217 Ca 0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 3hi4 s ILE 217 Cb -0.12 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.00 3hi4 s ILE 217 CO 0.01 0.46 0.36 -2.28 0.00 0.00 0.00 174.94 173.49 3hi4 s HIS 218 N -0.21 -0.33 0.01 3.97 2.46 -0.61 -0.81 115.29 119.77 3hi4 s HIS 218 Ca 0.01 0.71 -0.18 0.00 0.47 0.00 0.00 55.06 56.07 3hi4 s HIS 218 Cb -0.11 0.13 -0.06 0.00 -0.13 0.00 0.00 32.58 32.42 3hi4 s HIS 218 CO 0.01 -0.28 0.52 0.20 -2.47 0.00 0.00 174.74 172.72 3hi4 s GLY 219 N -0.44 2.57 0.00 1.59 0.00 -1.26 -0.98 107.32 108.79 3hi4 s GLY 219 Ca -0.06 -0.07 0.28 0.00 0.00 0.00 0.00 44.72 44.87 3hi4 s GLY 219 CO 0.02 0.49 1.73 2.09 0.00 0.00 0.00 173.10 177.43 3hi4 n ASP 220 N 2.27 1.44 -1.29 1.64 5.68 -1.10 -2.83 116.55 122.36 3hi4 n ASP 220 Ca -0.10 -1.43 0.06 0.00 -0.50 0.00 0.00 54.79 52.81 3hi4 n ASP 220 Cb 0.51 0.01 0.26 0.00 -1.14 0.00 0.00 41.12 40.77 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 1.19 2.15 3.62 6.12 0.00 -0.71 -4.79 105.19 112.76 3hi4 n GLY 221 Ca 0.18 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.68 6.31 0.00 1.61 -1.08 -1.11 -4.55 116.67 117.17 3hi4 s ASP 222 Ca 0.36 1.39 0.27 0.00 -0.52 0.00 0.00 52.55 54.06 3hi4 s ASP 222 Cb 0.25 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 3hi4 s ASP 222 CO 0.15 -1.35 1.71 0.00 0.52 0.00 0.00 175.17 176.20 3hi4 n GLN 223 N 7.83 0.29 -0.07 4.34 6.02 -1.26 -4.32 117.38 130.21 3hi4 n GLN 223 Ca 0.19 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 3hi4 n GLN 223 Cb 0.46 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.26 0.73 -3.97 5.09 2.08 -1.26 -4.88 119.36 115.89 3hi4 n ILE 224 Ca 0.09 -0.21 -0.31 0.00 0.56 0.00 0.00 62.75 62.88 3hi4 n ILE 224 Cb 0.32 -1.48 -0.15 0.00 -0.75 0.00 0.00 39.64 37.58 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 -2.25 2.05 0.09 1.39 1.01 -1.26 -5.09 120.40 116.34 3hi4 s VAL 225 Ca -0.18 -2.19 -0.31 0.00 0.00 0.00 0.00 61.98 59.30 3hi4 s VAL 225 Cb 0.06 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 3hi4 s VAL 225 CO 0.25 -0.61 1.64 -2.16 0.00 0.00 0.00 175.10 174.22 3hi4 s PRO 226 N 1.02 4.20 0.19 2.72 0.04 -1.26 -4.79 135.00 137.11 3hi4 s PRO 226 Ca 0.11 2.34 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 3hi4 s PRO 226 Cb -0.19 -3.50 0.19 0.00 0.04 0.00 0.00 34.50 31.04 3hi4 s PRO 226 CO -0.11 -0.71 1.69 0.35 0.04 0.00 0.00 177.00 178.27 3hi4 h PHE 227 N 7.98 0.02 -0.36 0.56 3.04 -1.80 -2.79 116.94 123.58 3hi4 h PHE 227 Ca -0.43 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.61 3hi4 h PHE 227 Cb 1.20 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.76 3hi4 h PHE 227 CO 0.75 -0.09 0.25 0.93 -2.02 0.00 0.00 178.31 178.13 3hi4 h GLU 228 N 0.14 0.26 -0.29 1.11 4.39 -1.95 -1.72 114.58 116.52 3hi4 h GLU 228 Ca 0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3hi4 h GLU 228 Cb 0.36 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hi4 h GLU 228 CO -0.39 0.17 0.00 0.25 -1.16 0.00 0.00 179.01 177.88 3hi4 n THR 229 N -4.48 0.67 0.00 1.13 -2.24 -1.07 -4.33 114.28 103.96 3hi4 n THR 229 Ca 0.04 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3hi4 n THR 229 Cb 0.24 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.76 0.00 -0.30 4.28 -2.24 -0.87 -4.64 114.28 111.27 3hi4 n THR 230 Ca 0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 3hi4 n THR 230 Cb 0.43 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.43 0.95 3.38 0.00 -1.58 0.23 103.07 107.48 3hi4 h GLY 231 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3hi4 h GLY 231 CO 0.00 -0.22 0.38 1.70 0.00 0.00 0.00 176.54 178.41 3hi4 h LYS 232 N 0.42 0.75 -0.11 4.80 3.64 -1.58 -1.30 116.57 123.19 3hi4 h LYS 232 Ca 0.52 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.67 3hi4 h LYS 232 Cb 0.94 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3hi4 h LYS 232 CO -0.50 0.49 -0.70 0.28 -2.27 0.00 0.00 179.45 176.76 3hi4 h VAL 233 N 0.77 1.35 -0.54 2.00 2.07 -1.22 -3.03 116.25 117.66 3hi4 h VAL 233 Ca 0.23 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 3hi4 h VAL 233 Cb -0.04 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3hi4 h VAL 233 CO -0.07 0.62 0.24 0.00 0.02 0.00 0.00 177.57 178.38 3hi4 h ALA 234 N 0.89 0.70 -0.72 1.67 0.00 -0.26 0.48 119.26 122.02 3hi4 h ALA 234 Ca -0.03 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hi4 h ALA 234 Cb 1.27 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3hi4 h ALA 234 CO 0.13 0.28 0.47 0.00 0.00 0.00 0.00 179.25 180.13 3hi4 h ALA 235 N 1.08 1.80 0.11 0.00 0.00 -1.25 -1.79 119.26 119.21 3hi4 h ALA 235 Ca 0.18 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 3hi4 h ALA 235 Cb 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hi4 h ALA 235 CO -0.02 0.06 -1.22 0.93 0.00 0.00 0.00 179.25 179.00 3hi4 h GLU 236 N 0.66 0.51 0.00 0.00 5.08 -1.16 -3.31 114.58 116.35 3hi4 h GLU 236 Ca 0.32 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3hi4 h GLU 236 Cb 0.40 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hi4 h GLU 236 CO -0.11 1.31 -0.12 -0.07 -1.00 0.00 0.00 179.01 179.01 3hi4 h LEU 237 N 0.22 0.00 -8.91 1.33 3.38 -0.68 -3.43 115.31 107.21 3hi4 h LEU 237 Ca -0.17 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.18 3hi4 h LEU 237 Cb 1.89 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.52 3hi4 h LEU 237 CO 0.22 0.00 0.11 -0.63 0.09 0.00 0.00 178.44 178.23 3hi4 s ILE 238 N -3.21 4.97 0.11 1.22 1.01 -0.70 -4.54 121.20 120.06 3hi4 s ILE 238 Ca 0.07 0.88 -0.32 0.00 0.00 0.00 0.00 60.65 61.28 3hi4 s ILE 238 Cb 0.07 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 3hi4 s ILE 238 CO 0.67 -0.07 1.83 1.17 0.00 0.00 0.00 174.94 178.54 3hi4 n LYS 239 N 5.78 2.70 -0.45 2.79 4.81 -1.26 -2.24 118.16 130.29 3hi4 n LYS 239 Ca -0.02 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3hi4 n LYS 239 Cb 0.49 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 4.20 1.22 3.75 3.14 0.00 -1.26 -4.85 105.19 111.38 3hi4 n GLY 240 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3hi4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 s ALA 241 N -3.12 2.60 0.07 4.61 0.00 -0.95 -4.70 121.76 120.27 3hi4 s ALA 241 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.10 3hi4 s ALA 241 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3hi4 s ALA 241 CO 0.00 -1.25 0.04 -2.00 0.00 0.00 0.00 175.76 172.56 3hi4 s GLU 242 N -3.21 2.76 -0.08 0.00 2.12 0.36 -4.97 118.70 115.69 3hi4 s GLU 242 Ca 0.76 -0.73 0.04 0.00 0.36 0.00 0.00 54.97 55.41 3hi4 s GLU 242 Cb -0.34 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.39 3hi4 s GLU 242 CO 0.37 0.57 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.28 3hi4 s LEU 243 N -2.25 1.95 -0.11 2.70 2.96 -1.26 -0.20 118.68 122.46 3hi4 s LEU 243 Ca 0.27 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3hi4 s LEU 243 Cb -0.12 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.36 3hi4 s LEU 243 CO 0.19 0.13 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.59 3hi4 s LYS 244 N 0.36 3.06 -0.21 1.98 1.02 0.23 -4.97 119.74 121.21 3hi4 s LYS 244 Ca -0.15 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 54.93 3hi4 s LYS 244 Cb -0.16 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 3hi4 s LYS 244 CO 0.07 0.12 -0.01 0.08 -0.92 0.00 0.00 175.35 174.68 3hi4 s VAL 245 N 0.50 3.76 -0.31 3.17 1.01 -1.26 -1.57 120.40 125.70 3hi4 s VAL 245 Ca -0.15 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3hi4 s VAL 245 Cb -0.17 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3hi4 s VAL 245 CO 0.05 0.42 0.72 -0.31 0.00 0.00 0.00 175.10 175.98 3hi4 s TYR 246 N 1.18 3.20 0.08 5.22 1.51 -0.15 -4.97 117.35 123.41 3hi4 s TYR 246 Ca 0.03 0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 56.45 3hi4 s TYR 246 Cb -0.14 -3.14 -0.08 0.00 -0.11 0.00 0.00 41.96 38.48 3hi4 s TYR 246 CO 0.01 -0.55 1.58 0.21 -1.11 0.00 0.00 175.55 175.69 3hi4 s LYS 247 N 2.82 4.22 0.00 -0.62 2.20 -1.26 -2.47 119.74 124.63 3hi4 s LYS 247 Ca 0.29 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 3hi4 s LYS 247 Cb -0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3hi4 s LYS 247 CO 0.13 -0.66 0.00 -0.25 -0.36 0.00 0.00 175.35 174.20 3hi4 n ASP 248 N 5.11 -1.22 -4.55 1.43 10.43 -1.26 -4.90 116.55 121.58 3hi4 n ASP 248 Ca 0.15 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 57.10 3hi4 n ASP 248 Cb 0.41 -2.24 0.02 0.00 1.84 0.00 0.00 41.12 41.15 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hi4 n ALA 249 N 0.95 -0.41 -2.08 2.24 0.00 -1.03 -4.16 120.51 116.03 3hi4 n ALA 249 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 3hi4 n ALA 249 Cb 0.10 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 17.58 3hi4 n ALA 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hi4 n PRO 250 N 0.02 0.49 -0.23 0.00 -0.04 -1.26 -1.74 135.00 132.24 3hi4 n PRO 250 Ca 0.11 -0.14 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 3hi4 n PRO 250 Cb 0.42 -0.04 0.05 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.49 0.80 -0.17 0.54 -0.00 -1.78 -3.31 115.15 110.74 3hi4 h HIS 251 Ca -0.02 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.19 3hi4 h HIS 251 Cb 0.06 -0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 27.14 3hi4 h HIS 251 CO 0.00 0.50 -0.10 0.41 -0.00 0.00 0.00 177.93 178.74 3hi4 n GLY 252 N -1.28 3.11 0.06 5.26 0.00 0.16 -4.55 105.19 107.95 3hi4 n GLY 252 Ca 0.05 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 1.79 0.53 0.13 1.61 1.16 -1.25 -0.97 117.46 120.45 3hi4 n PHE 253 Ca 0.29 0.15 0.17 0.00 -1.87 0.00 0.00 57.45 56.20 3hi4 n PHE 253 Cb 0.71 -0.69 0.75 0.00 -1.61 0.00 0.00 39.48 38.64 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 2.12 0.00 1.98 0.00 -1.88 0.26 119.26 124.41 3hi4 h ALA 254 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3hi4 h ALA 254 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hi4 h ALA 254 CO 0.00 -0.42 -0.66 0.28 0.00 0.00 0.00 179.25 178.45 3hi4 h VAL 255 N 0.00 0.69 0.00 0.00 2.07 -1.43 -3.31 116.25 114.27 3hi4 h VAL 255 Ca 0.15 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 3hi4 h VAL 255 Cb 0.67 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3hi4 h VAL 255 CO -0.00 0.23 -0.40 0.71 0.02 0.00 0.00 177.57 178.13 3hi4 h THR 256 N -1.00 0.84 -0.58 2.57 1.35 -1.36 -3.17 112.91 111.56 3hi4 h THR 256 Ca -0.14 -1.69 -0.42 0.00 -0.55 0.00 0.00 66.41 63.60 3hi4 h THR 256 Cb 0.85 2.06 -0.35 0.00 -1.73 0.00 0.00 68.15 68.98 3hi4 h THR 256 CO -0.09 0.39 -0.80 1.41 -0.25 0.00 0.00 175.52 176.19 3hi4 n HIS 257 N -3.42 2.10 -0.13 4.73 -0.00 0.91 -4.92 115.22 114.50 3hi4 n HIS 257 Ca 0.00 -2.06 -0.05 0.00 -0.00 0.00 0.00 57.72 55.62 3hi4 n HIS 257 Cb 0.57 -0.31 0.04 0.00 -0.00 0.00 0.00 29.99 30.28 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 1.99 0.51 -0.15 -1.41 0.00 -1.58 0.04 119.26 118.67 3hi4 h ALA 258 Ca 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hi4 h ALA 258 Cb 1.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3hi4 h ALA 258 CO 0.57 -0.23 0.08 0.37 0.00 0.00 0.00 179.25 180.04 3hi4 h GLN 259 N 0.33 0.20 -0.26 0.00 4.15 -1.89 0.20 115.11 117.83 3hi4 h GLN 259 Ca 0.20 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.63 3hi4 h GLN 259 Cb 0.18 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3hi4 h GLN 259 CO -0.20 0.22 0.07 0.37 -1.93 0.00 0.00 178.83 177.36 3hi4 h GLN 260 N 0.13 0.17 -0.19 1.69 4.15 -1.91 -0.91 115.11 118.24 3hi4 h GLN 260 Ca 0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.48 3hi4 h GLN 260 Cb 0.08 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3hi4 h GLN 260 CO -0.01 0.11 0.07 1.25 -1.93 0.00 0.00 178.83 178.33 3hi4 h LEU 261 N 0.18 0.08 -0.64 -2.39 5.85 -0.73 -0.11 115.31 117.55 3hi4 h LEU 261 Ca 0.12 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3hi4 h LEU 261 Cb 0.11 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3hi4 h LEU 261 CO -0.14 0.08 0.35 0.78 -0.34 0.00 0.00 178.44 179.17 3hi4 h ASN 262 N 0.16 0.52 -0.40 1.25 2.35 -0.10 0.10 115.58 119.47 3hi4 h ASN 262 Ca 0.08 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3hi4 h ASN 262 Cb 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3hi4 h ASN 262 CO -0.08 0.34 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.49 3hi4 h GLU 263 N 0.66 0.85 -0.39 0.81 5.08 -0.63 -0.51 114.58 120.45 3hi4 h GLU 263 Ca 0.29 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3hi4 h GLU 263 Cb 0.17 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hi4 h GLU 263 CO -0.18 1.03 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.41 3hi4 h ASP 264 N 0.66 0.59 -0.29 1.42 3.32 -0.50 0.17 116.42 121.79 3hi4 h ASP 264 Ca 0.08 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3hi4 h ASP 264 Cb 0.79 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3hi4 h ASP 264 CO 0.06 0.66 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.97 3hi4 h LEU 265 N 0.59 0.69 -0.33 1.55 3.38 -0.44 -1.69 115.31 119.06 3hi4 h LEU 265 Ca 0.12 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3hi4 h LEU 265 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hi4 h LEU 265 CO 0.01 0.99 0.22 0.25 0.09 0.00 0.00 178.44 180.00 3hi4 h LEU 266 N 0.40 0.38 -1.02 1.67 5.85 -0.67 -1.94 115.31 119.99 3hi4 h LEU 266 Ca 0.06 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hi4 h LEU 266 Cb 0.76 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3hi4 h LEU 266 CO 0.06 0.28 0.64 0.00 -0.34 0.00 0.00 178.44 179.08 3hi4 h ALA 267 N 1.12 1.29 -0.64 1.25 0.00 -0.54 -2.09 119.26 119.65 3hi4 h ALA 267 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hi4 h ALA 267 Cb -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3hi4 h ALA 267 CO -0.03 0.66 0.12 0.35 0.00 0.00 0.00 179.25 180.35 3hi4 h PHE 268 N 1.33 1.10 0.00 0.00 3.57 -0.95 -2.40 116.94 119.59 3hi4 h PHE 268 Ca 0.36 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3hi4 h PHE 268 Cb -0.14 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.28 3hi4 h PHE 268 CO 0.00 0.93 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.68 3hi4 h LEU 269 N 0.95 0.00 -2.54 0.59 3.38 -0.70 -2.93 115.31 114.07 3hi4 h LEU 269 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hi4 h LEU 269 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hi4 h LEU 269 CO 0.01 0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.08 3hi4 n LYS 270 N -3.60 2.77 0.00 1.13 5.02 -0.94 -5.12 118.16 117.41 3hi4 n LYS 270 Ca -0.01 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 3hi4 n LYS 270 Cb 0.39 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3hi4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77