#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 0.08 0.36 0.44 -4.23 -1.26 0.01 115.64 111.03 3hi4 s THR 2 Ca 0.00 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 3hi4 s THR 2 Cb 0.00 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 3hi4 s THR 2 CO 0.00 -0.34 0.09 0.72 -0.54 0.00 0.00 174.62 174.54 3hi4 s PHE 3 N -1.31 1.86 -0.17 3.99 -0.12 -0.85 -4.95 117.98 116.43 3hi4 s PHE 3 Ca -0.14 -1.11 -0.03 0.00 -0.05 0.00 0.00 56.93 55.61 3hi4 s PHE 3 Cb -0.07 -1.22 -0.02 0.00 -0.63 0.00 0.00 43.02 41.08 3hi4 s PHE 3 CO 0.02 -0.13 -0.06 0.08 -0.05 0.00 0.00 175.22 175.08 3hi4 s VAL 4 N -3.28 3.49 0.71 -2.49 1.01 -1.26 -1.36 120.40 117.22 3hi4 s VAL 4 Ca 0.30 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3hi4 s VAL 4 Cb 0.06 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3hi4 s VAL 4 CO 0.14 0.47 1.06 0.00 0.00 0.00 0.00 175.10 176.78 3hi4 s ALA 5 N 0.78 2.97 0.19 5.51 0.00 0.40 -4.88 121.76 126.72 3hi4 s ALA 5 Ca -0.02 -0.58 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 3hi4 s ALA 5 Cb -0.15 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.21 3hi4 s ALA 5 CO 0.02 -1.22 1.55 -0.22 0.00 0.00 0.00 175.76 175.89 3hi4 h LYS 6 N -0.64 -0.03 0.00 0.00 3.64 -1.94 0.33 116.57 117.93 3hi4 h LYS 6 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hi4 h LYS 6 Cb 1.28 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hi4 h LYS 6 CO 0.63 -0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 3hi4 n ASP 7 N -5.38 0.00 0.00 4.20 5.68 -1.26 -4.84 116.55 114.96 3hi4 n ASP 7 Ca 0.06 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 3hi4 n ASP 7 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 0.31 0.67 3.70 6.12 0.00 0.12 -5.04 105.19 111.07 3hi4 n GLY 8 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.19 2.67 -0.12 2.61 2.01 -1.26 -4.68 115.64 114.68 3hi4 s THR 9 Ca 0.00 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.14 3hi4 s THR 9 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3hi4 s THR 9 CO 0.00 0.01 0.59 -1.58 -0.69 0.00 0.00 174.62 172.95 3hi4 s GLN 10 N 1.90 4.34 -0.16 4.92 0.74 -1.26 -0.46 119.66 129.67 3hi4 s GLN 10 Ca 0.74 0.63 -0.00 0.00 0.05 0.00 0.00 55.36 56.77 3hi4 s GLN 10 Cb -0.43 -3.48 -0.00 0.00 1.10 0.00 0.00 33.01 30.19 3hi4 s GLN 10 CO 0.32 0.02 -0.13 0.42 -0.55 0.00 0.00 175.29 175.37 3hi4 s ILE 11 N 1.03 2.82 0.22 -2.34 -1.09 -0.46 -0.79 121.20 120.58 3hi4 s ILE 11 Ca 0.30 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.78 3hi4 s ILE 11 Cb -0.16 -2.21 -0.08 0.00 -1.58 0.00 0.00 42.46 38.43 3hi4 s ILE 11 CO 0.13 0.50 0.79 -0.47 -1.23 0.00 0.00 174.94 174.66 3hi4 s TYR 12 N 0.86 3.77 0.10 3.97 5.04 -1.26 -2.00 117.35 127.82 3hi4 s TYR 12 Ca -0.04 1.56 -0.10 0.00 -2.44 0.00 0.00 57.07 56.06 3hi4 s TYR 12 Cb -0.15 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.43 3hi4 s TYR 12 CO -0.00 0.39 0.22 -0.59 -1.34 0.00 0.00 175.55 174.23 3hi4 s PHE 13 N -1.38 0.11 -0.03 4.97 -0.71 0.10 -0.57 117.98 120.47 3hi4 s PHE 13 Ca 0.41 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 3hi4 s PHE 13 Cb -0.20 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 3hi4 s PHE 13 CO 0.24 -0.57 -0.04 0.15 -1.34 0.00 0.00 175.22 173.65 3hi4 s LYS 14 N -3.86 2.72 -0.28 1.99 1.02 0.67 -1.04 119.74 120.96 3hi4 s LYS 14 Ca 0.05 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 3hi4 s LYS 14 Cb 0.04 -2.60 0.09 0.00 -0.52 0.00 0.00 37.83 34.84 3hi4 s LYS 14 CO -0.11 0.64 0.11 0.34 -0.92 0.00 0.00 175.35 175.41 3hi4 s ASP 15 N -1.20 3.50 -0.07 2.83 -1.08 -1.26 -1.40 116.67 117.99 3hi4 s ASP 15 Ca 0.16 -1.27 0.01 0.00 -0.52 0.00 0.00 52.55 50.93 3hi4 s ASP 15 Cb -0.11 -0.49 -0.03 0.00 -1.46 0.00 0.00 42.92 40.83 3hi4 s ASP 15 CO 0.06 -0.41 -0.09 0.26 0.52 0.00 0.00 175.17 175.51 3hi4 s TRP 16 N 1.96 2.89 0.00 -5.34 0.51 0.14 -4.98 118.94 114.12 3hi4 s TRP 16 Ca 0.08 -0.05 0.00 0.00 -2.12 0.00 0.00 56.10 54.01 3hi4 s TRP 16 Cb -0.16 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.79 3hi4 s TRP 16 CO -0.29 0.27 0.00 0.41 -0.51 0.00 0.00 176.95 176.83 3hi4 n GLY 17 N 2.33 -1.80 3.45 0.98 0.00 -1.26 -0.35 105.19 108.54 3hi4 n GLY 17 Ca -0.18 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.34 0.00 1.61 1.04 -1.25 -4.73 113.70 106.02 3hi4 s SER 18 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3hi4 s SER 18 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 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 -0.33 0.38 3.76 7.32 0.00 -1.26 -3.02 105.19 112.04 3hi4 n GLY 19 Ca -0.13 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.42 4.11 0.17 1.61 -0.14 -1.26 -4.08 119.74 119.73 3hi4 s LYS 20 Ca 0.00 2.59 -0.23 0.00 -1.36 0.00 0.00 55.97 56.97 3hi4 s LYS 20 Cb 0.00 -2.99 -0.08 0.00 -1.68 0.00 0.00 37.83 33.08 3hi4 s LYS 20 CO 0.00 -0.60 0.73 -1.25 -0.76 0.00 0.00 175.35 173.47 3hi4 s PRO 21 N -1.30 4.43 -0.14 -1.68 0.04 -1.26 -1.32 135.00 133.76 3hi4 s PRO 21 Ca 0.58 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.65 3hi4 s PRO 21 Cb -0.47 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 30.93 3hi4 s PRO 21 CO 0.56 0.54 -0.17 0.08 0.04 0.00 0.00 177.00 178.04 3hi4 s VAL 22 N -1.24 1.73 -0.16 -0.36 1.01 0.42 -1.36 120.40 120.44 3hi4 s VAL 22 Ca 0.37 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3hi4 s VAL 22 Cb -0.21 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3hi4 s VAL 22 CO 0.24 0.49 -0.20 -0.22 0.00 0.00 0.00 175.10 175.40 3hi4 s LEU 23 N 1.18 2.16 -0.11 3.92 0.20 0.17 -0.93 118.68 125.27 3hi4 s LEU 23 Ca -0.01 -0.62 -0.05 0.00 0.69 0.00 0.00 54.13 54.14 3hi4 s LEU 23 Cb -0.14 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3hi4 s LEU 23 CO -0.07 0.03 0.09 -0.36 -0.29 0.00 0.00 176.35 175.75 3hi4 s PHE 24 N 1.09 3.43 -0.26 5.38 0.40 0.15 -1.11 117.98 127.05 3hi4 s PHE 24 Ca -0.00 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 3hi4 s PHE 24 Cb -0.14 -1.90 0.07 0.00 0.51 0.00 0.00 43.02 41.56 3hi4 s PHE 24 CO -0.08 0.61 -0.03 0.45 0.70 0.00 0.00 175.22 176.87 3hi4 s SER 25 N -0.89 4.12 0.90 1.36 0.15 0.80 -3.67 113.70 116.47 3hi4 s SER 25 Ca 0.14 -1.41 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 3hi4 s SER 25 Cb -0.12 -1.29 0.13 0.00 -1.71 0.00 0.00 66.02 63.03 3hi4 s SER 25 CO 0.03 -0.27 1.10 -1.38 1.20 0.00 0.00 173.24 173.92 3hi4 s HIS 26 N 1.28 2.40 0.34 3.44 -3.43 -1.26 -1.14 115.29 116.91 3hi4 s HIS 26 Ca -0.02 1.15 0.03 0.00 -0.80 0.00 0.00 55.06 55.42 3hi4 s HIS 26 Cb -0.19 -3.19 0.06 0.00 -1.43 0.00 0.00 32.58 27.83 3hi4 s HIS 26 CO -0.08 -2.35 0.46 0.41 -2.00 0.00 0.00 174.74 171.18 3hi4 n GLY 27 N -1.41 1.49 3.83 -1.38 0.00 -1.20 -3.19 105.19 103.33 3hi4 n GLY 27 Ca 0.07 -2.11 -0.37 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 -1.13 3.72 -0.94 1.61 -0.00 -1.26 -0.81 118.94 120.14 3hi4 s TRP 28 Ca 0.33 1.14 -0.00 0.00 -0.00 0.00 0.00 56.10 57.57 3hi4 s TRP 28 Cb -0.02 -2.41 0.31 0.00 -0.00 0.00 0.00 33.47 31.34 3hi4 s TRP 28 CO 0.21 0.54 1.43 -0.35 -0.00 0.00 0.00 176.95 178.78 3hi4 n PRO 29 N 1.38 4.38 0.00 5.86 -0.05 -1.26 -5.03 135.00 140.28 3hi4 n PRO 29 Ca -0.09 -4.65 0.00 0.00 -0.05 0.00 0.00 63.50 58.71 3hi4 n PRO 29 Cb 0.51 -2.43 0.00 0.00 -0.05 0.00 0.00 33.50 31.54 3hi4 n PRO 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3hi4 n LEU 30 N 0.58 0.00 0.00 1.53 4.77 0.01 -3.87 117.00 120.02 3hi4 n LEU 30 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3hi4 n LEU 30 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hi4 n LEU 30 CO 0.56 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.72 3hi4 n ASP 31 N 0.00 0.00 0.32 -1.43 5.68 -1.26 -4.36 116.55 115.50 3hi4 n ASP 31 Ca 0.00 -0.89 0.19 0.00 -0.50 0.00 0.00 54.79 53.59 3hi4 n ASP 31 Cb 0.00 0.00 1.06 0.00 -1.14 0.00 0.00 41.12 41.04 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 1.28 0.00 2.12 0.00 -1.91 -2.24 119.26 120.51 3hi4 h ALA 32 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hi4 h ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hi4 h ALA 32 CO 0.00 -0.01 0.00 -0.44 0.00 0.00 0.00 179.25 178.80 3hi4 h ASP 33 N 0.00 0.00 0.33 0.00 3.32 -1.95 -1.78 116.42 116.35 3hi4 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hi4 h ASP 33 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hi4 h ASP 33 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hi4 h MET 34 N 0.00 0.00 -0.20 3.56 -0.00 -1.81 -2.21 114.93 114.26 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 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 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 -2.67 0.25 -0.13 -0.10 7.02 -0.67 -4.66 117.44 116.48 3hi4 n TRP 35 Ca -0.01 -0.12 0.09 0.00 -1.02 0.00 0.00 57.50 56.44 3hi4 n TRP 35 Cb 0.13 0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.46 3hi4 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3hi4 h GLU 36 N 4.03 0.55 -0.11 -0.99 4.11 -1.53 0.18 114.58 120.82 3hi4 h GLU 36 Ca 0.00 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.22 3hi4 h GLU 36 Cb 0.87 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hi4 h GLU 36 CO 0.00 0.36 -0.62 1.88 0.07 0.00 0.00 179.01 180.70 3hi4 h TYR 37 N 0.57 0.83 -1.00 2.06 0.05 -1.84 -1.91 116.97 115.73 3hi4 h TYR 37 Ca 0.29 -0.38 0.03 0.00 0.05 0.00 0.00 58.73 58.73 3hi4 h TYR 37 Cb 0.42 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 3hi4 h TYR 37 CO -0.00 1.18 0.66 1.96 -1.05 0.00 0.00 178.16 180.90 3hi4 h GLN 38 N 0.25 1.24 -0.29 4.88 7.50 -1.66 0.11 115.11 127.14 3hi4 h GLN 38 Ca -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 58.98 3hi4 h GLN 38 Cb 1.27 -0.28 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 3hi4 h GLN 38 CO 0.13 0.82 0.01 0.52 -1.50 0.00 0.00 178.83 178.82 3hi4 h MET 39 N 1.28 0.51 -0.37 1.46 2.86 -0.67 0.09 114.93 120.09 3hi4 h MET 39 Ca 0.39 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 3hi4 h MET 39 Cb -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3hi4 h MET 39 CO -0.12 0.64 -0.32 1.49 1.06 0.00 0.00 176.91 179.67 3hi4 h GLU 40 N 0.30 0.82 -0.52 1.72 4.22 -1.16 0.23 114.58 120.19 3hi4 h GLU 40 Ca 0.08 -0.38 -0.05 0.00 0.08 0.00 0.00 59.36 59.09 3hi4 h GLU 40 Cb 0.41 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hi4 h GLU 40 CO 0.01 1.02 0.13 -0.92 -2.18 0.00 0.00 179.01 177.06 3hi4 h TYR 41 N 0.69 0.88 0.08 0.92 3.20 -0.44 -2.60 116.97 119.71 3hi4 h TYR 41 Ca 0.07 -0.11 -0.29 0.00 3.14 0.00 0.00 58.73 61.54 3hi4 h TYR 41 Cb 0.87 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3hi4 h TYR 41 CO 0.05 0.78 -1.50 -0.07 -1.64 0.00 0.00 178.16 175.77 3hi4 h LEU 42 N 0.73 0.28 -1.41 2.82 3.38 -0.84 -3.30 115.31 116.97 3hi4 h LEU 42 Ca 0.16 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3hi4 h LEU 42 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hi4 h LEU 42 CO 0.00 1.34 -0.15 0.28 0.09 0.00 0.00 178.44 180.00 3hi4 h SER 43 N 0.05 0.00 -0.45 -0.43 0.02 -0.55 -1.65 113.55 110.54 3hi4 h SER 43 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3hi4 h SER 43 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 3hi4 h SER 43 CO 0.14 0.15 0.00 -1.54 -1.14 0.00 0.00 176.83 174.44 3hi4 n SER 44 N -3.36 3.08 -0.88 3.07 3.41 -0.98 -3.63 113.62 114.32 3hi4 n SER 44 Ca -0.00 -2.20 0.04 0.00 -0.26 0.00 0.00 58.87 56.45 3hi4 n SER 44 Cb 0.35 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 3hi4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hi4 n ARG 45 N 0.75 0.51 -0.11 4.33 1.74 -0.69 -4.99 116.66 118.19 3hi4 n ARG 45 Ca 0.17 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 3hi4 n ARG 45 Cb 0.56 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.22 0.94 3.59 -0.13 0.00 -1.11 -5.02 105.19 103.25 3hi4 n GLY 46 Ca 0.09 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 2.81 -0.07 1.61 2.02 -0.81 -4.25 117.35 116.66 3hi4 s TYR 47 Ca 0.00 -0.11 -0.24 0.00 -0.37 0.00 0.00 57.07 56.35 3hi4 s TYR 47 Cb 0.00 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 3hi4 s TYR 47 CO 0.00 0.41 0.73 0.50 -1.57 0.00 0.00 175.55 175.62 3hi4 s ARG 48 N -1.95 4.44 -0.06 -0.62 3.52 -0.44 -3.78 118.95 120.07 3hi4 s ARG 48 Ca 0.20 0.93 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 3hi4 s ARG 48 Cb -0.11 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3hi4 s ARG 48 CO 0.12 0.03 -0.20 0.95 -0.81 0.00 0.00 175.30 175.38 3hi4 s THR 49 N 0.91 2.49 -0.03 4.11 -4.23 0.53 -0.43 115.64 118.99 3hi4 s THR 49 Ca 0.39 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 3hi4 s THR 49 Cb -0.18 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.73 3hi4 s THR 49 CO 0.19 0.57 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.14 3hi4 s ILE 50 N -0.36 0.67 -0.11 2.99 1.09 -0.11 0.24 121.20 125.61 3hi4 s ILE 50 Ca 0.03 -0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.21 3hi4 s ILE 50 Cb -0.12 -0.63 0.03 0.00 -1.06 0.00 0.00 42.46 40.68 3hi4 s ILE 50 CO 0.02 0.23 0.30 0.00 -0.10 0.00 0.00 174.94 175.38 3hi4 s ALA 51 N 0.42 -0.73 0.28 9.38 0.00 -0.50 0.30 121.76 130.92 3hi4 s ALA 51 Ca -0.06 0.85 0.11 0.00 0.00 0.00 0.00 51.96 52.86 3hi4 s ALA 51 Cb -0.10 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3hi4 s ALA 51 CO 0.01 -0.14 -0.18 -0.59 0.00 0.00 0.00 175.76 174.85 3hi4 s PHE 52 N 0.20 2.26 -0.22 0.00 -0.71 -1.24 -0.24 117.98 118.03 3hi4 s PHE 52 Ca -0.00 -0.37 -0.17 0.00 -1.04 0.00 0.00 56.93 55.35 3hi4 s PHE 52 Cb -0.02 -1.03 -0.03 0.00 -1.21 0.00 0.00 43.02 40.73 3hi4 s PHE 52 CO 0.00 0.68 0.46 -0.51 -1.34 0.00 0.00 175.22 174.51 3hi4 s ASP 53 N -3.51 6.45 0.69 1.98 1.01 0.26 -3.76 116.67 119.79 3hi4 s ASP 53 Ca 0.30 0.54 -0.17 0.00 0.71 0.00 0.00 52.55 53.93 3hi4 s ASP 53 Cb -0.04 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.64 3hi4 s ASP 53 CO 0.15 -0.17 1.11 -1.14 0.21 0.00 0.00 175.17 175.33 3hi4 n ARG 54 N 4.92 0.73 -1.69 8.23 0.63 -1.26 -4.31 116.66 123.91 3hi4 n ARG 54 Ca -0.06 0.31 -0.44 0.00 -0.92 0.00 0.00 57.85 56.74 3hi4 n ARG 54 Cb 0.50 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 31.04 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 -1.94 2.16 -0.13 -0.14 1.85 -1.26 -1.13 116.66 116.07 3hi4 n ARG 55 Ca 0.14 0.77 0.00 0.00 -1.00 0.00 0.00 57.85 57.76 3hi4 n ARG 55 Cb 0.49 -2.43 0.00 0.00 -1.05 0.00 0.00 32.46 29.46 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 1.94 1.04 3.28 2.89 0.00 0.23 -4.96 105.19 109.61 3hi4 n GLY 56 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.53 1.73 0.00 1.61 0.40 -0.28 -0.17 117.98 118.74 3hi4 s PHE 57 Ca 0.00 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3hi4 s PHE 57 Cb 0.00 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3hi4 s PHE 57 CO 0.00 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.54 3hi4 n GLY 58 N 0.95 2.41 0.72 4.36 0.00 -1.26 -2.02 105.19 110.35 3hi4 n GLY 58 Ca -0.18 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 13.43 1.97 -2.03 1.61 1.74 -1.26 -4.65 116.66 127.46 3hi4 n ARG 59 Ca 0.00 -1.43 -0.31 0.00 -0.77 0.00 0.00 57.85 55.34 3hi4 n ARG 59 Cb 0.00 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.78 6.30 0.88 0.55 0.01 -0.86 -4.61 113.70 114.19 3hi4 s SER 60 Ca 0.34 1.40 -0.13 0.00 1.31 0.00 0.00 55.95 58.87 3hi4 s SER 60 Cb 0.20 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 64.02 3hi4 s SER 60 CO 0.30 -0.79 0.68 0.47 0.41 0.00 0.00 173.24 174.31 3hi4 n ASP 61 N -2.50 -1.00 -3.75 2.44 8.00 0.03 -4.50 116.55 115.28 3hi4 n ASP 61 Ca 0.06 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.70 3hi4 n ASP 61 Cb 0.54 -1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.24 3hi4 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hi4 n GLN 62 N -2.20 2.25 -2.30 -1.24 6.02 -1.26 -0.60 117.38 118.04 3hi4 n GLN 62 Ca 0.09 -4.57 -0.38 0.00 -0.01 0.00 0.00 57.00 52.14 3hi4 n GLN 62 Cb 0.52 -2.30 -0.02 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 -1.88 4.03 0.32 -1.09 0.04 -1.26 -4.94 135.00 130.22 3hi4 s PRO 63 Ca 0.31 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3hi4 s PRO 63 Cb 0.03 -2.64 0.54 0.00 0.04 0.00 0.00 34.50 32.47 3hi4 s PRO 63 CO -0.10 -0.33 1.86 2.35 0.04 0.00 0.00 177.00 180.82 3hi4 h TRP 64 N 2.58 0.64 -1.58 0.56 2.91 -2.01 -3.46 115.95 115.59 3hi4 h TRP 64 Ca -0.49 -0.06 -0.49 0.00 1.13 0.00 0.00 58.89 58.98 3hi4 h TRP 64 Cb 1.23 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.67 3hi4 h TRP 64 CO 0.55 0.59 -0.39 0.95 -1.03 0.00 0.00 178.44 179.11 3hi4 s THR 65 N -5.05 2.85 0.00 2.65 -4.23 -1.26 -4.66 115.64 105.94 3hi4 s THR 65 Ca -0.08 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3hi4 s THR 65 Cb 0.15 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3hi4 s THR 65 CO 0.78 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 3hi4 n GLY 66 N -1.53 0.57 3.03 3.99 0.00 -1.26 -4.95 105.19 105.04 3hi4 n GLY 66 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.83 -3.78 1.61 3.02 -1.26 -4.45 115.26 115.23 3hi4 n ASN 67 Ca 0.00 -3.00 -0.10 0.00 -0.03 0.00 0.00 54.58 51.45 3hi4 n ASN 67 Cb 0.00 -1.57 -0.05 0.00 -0.61 0.00 0.00 39.78 37.56 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 2.12 -0.16 0.17 6.41 1.47 -1.26 -4.66 116.67 120.76 3hi4 s ASP 68 Ca 0.43 -0.55 -0.05 0.00 1.18 0.00 0.00 52.55 53.56 3hi4 s ASP 68 Cb 0.08 0.51 0.04 0.00 -0.34 0.00 0.00 42.92 43.21 3hi4 s ASP 68 CO -0.01 -0.96 1.45 1.88 0.68 0.00 0.00 175.17 178.22 3hi4 h TYR 69 N 2.35 0.78 -0.49 2.11 0.05 -1.92 0.21 116.97 120.06 3hi4 h TYR 69 Ca -0.31 -0.30 0.04 0.00 0.05 0.00 0.00 58.73 58.22 3hi4 h TYR 69 Cb 1.25 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.81 3hi4 h TYR 69 CO 0.36 1.06 0.25 -0.44 -1.05 0.00 0.00 178.16 178.34 3hi4 h ASP 70 N 0.45 0.36 -0.43 3.88 3.32 -1.96 0.26 116.42 122.29 3hi4 h ASP 70 Ca -0.00 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3hi4 h ASP 70 Cb 1.18 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3hi4 h ASP 70 CO 0.12 0.25 0.00 0.74 -1.72 0.00 0.00 179.24 178.63 3hi4 h THR 71 N 0.49 1.26 -0.98 0.35 2.02 -1.72 -1.26 112.91 113.07 3hi4 h THR 71 Ca 0.21 -1.03 0.07 0.00 0.77 0.00 0.00 66.41 66.43 3hi4 h THR 71 Cb 0.12 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 3hi4 h THR 71 CO -0.15 0.35 0.63 -0.26 0.37 0.00 0.00 175.52 176.46 3hi4 h PHE 72 N 0.61 1.17 -0.42 3.16 0.04 -0.01 0.20 116.94 121.68 3hi4 h PHE 72 Ca 0.12 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 3hi4 h PHE 72 Cb 0.49 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3hi4 h PHE 72 CO 0.04 0.59 -0.27 0.00 -0.60 0.00 0.00 178.31 178.07 3hi4 h ALA 73 N 1.45 0.74 -0.10 2.45 0.00 -0.35 -1.83 119.26 121.63 3hi4 h ALA 73 Ca 0.43 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3hi4 h ALA 73 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hi4 h ALA 73 CO -0.18 0.66 -0.49 -0.44 0.00 0.00 0.00 179.25 178.81 3hi4 h ASP 74 N 0.75 0.27 -0.37 0.00 5.19 -0.46 -1.21 116.42 120.60 3hi4 h ASP 74 Ca 0.09 -0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3hi4 h ASP 74 Cb 0.83 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 3hi4 h ASP 74 CO 0.07 0.71 0.18 0.44 -3.12 0.00 0.00 179.24 177.52 3hi4 h ASP 75 N 0.20 0.25 -0.52 6.45 3.32 -0.42 0.20 116.42 125.89 3hi4 h ASP 75 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hi4 h ASP 75 Cb 0.93 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3hi4 h ASP 75 CO 0.08 0.19 0.30 0.40 -1.72 0.00 0.00 179.24 178.48 3hi4 h ILE 76 N 0.37 1.17 -0.92 0.35 2.04 -0.94 -1.37 117.51 118.21 3hi4 h ILE 76 Ca 0.16 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3hi4 h ILE 76 Cb 0.07 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 3hi4 h ILE 76 CO -0.12 0.18 0.59 0.00 0.00 0.00 0.00 178.15 178.80 3hi4 h ALA 77 N 1.13 1.25 -0.10 1.87 0.00 -0.91 -0.89 119.26 121.62 3hi4 h ALA 77 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hi4 h ALA 77 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hi4 h ALA 77 CO -0.03 0.39 -0.40 1.96 0.00 0.00 0.00 179.25 181.17 3hi4 h GLN 78 N 1.10 0.21 -0.36 0.00 4.20 -0.12 0.37 115.11 120.51 3hi4 h GLN 78 Ca 0.39 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 3hi4 h GLN 78 Cb 0.11 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3hi4 h GLN 78 CO -0.15 0.58 0.01 1.25 -0.67 0.00 0.00 178.83 179.84 3hi4 h LEU 79 N 0.18 0.61 -0.62 1.46 5.85 -0.47 0.20 115.31 122.51 3hi4 h LEU 79 Ca 0.02 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3hi4 h LEU 79 Cb 0.79 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3hi4 h LEU 79 CO 0.06 0.76 0.19 0.40 -0.34 0.00 0.00 178.44 179.51 3hi4 h ILE 80 N 0.44 1.25 -0.37 4.05 2.04 -0.90 -0.49 117.51 123.53 3hi4 h ILE 80 Ca 0.10 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 3hi4 h ILE 80 Cb 0.44 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3hi4 h ILE 80 CO 0.02 0.32 -0.38 -0.33 0.00 0.00 0.00 178.15 177.78 3hi4 h GLU 81 N 0.88 0.87 -0.87 2.37 5.08 -0.76 -0.35 114.58 121.81 3hi4 h GLU 81 Ca 0.20 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3hi4 h GLU 81 Cb 0.30 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3hi4 h GLU 81 CO -0.01 1.09 0.54 1.25 -1.00 0.00 0.00 179.01 180.88 3hi4 h HIS 82 N 0.72 0.99 -0.01 4.33 2.76 -0.03 -2.01 115.15 121.89 3hi4 h HIS 82 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3hi4 h HIS 82 Cb 0.95 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3hi4 h HIS 82 CO 0.06 0.49 -0.17 1.28 -1.30 0.00 0.00 177.93 178.29 3hi4 n LEU 83 N -4.62 1.64 -3.90 0.26 4.77 -0.24 -4.96 117.00 109.94 3hi4 n LEU 83 Ca 0.13 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 3hi4 n LEU 83 Cb 0.19 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3hi4 n LEU 83 CO 0.31 0.29 -0.17 -0.67 -1.33 0.00 0.00 177.39 175.82 3hi4 n ASP 84 N 0.03 -0.83 -4.78 -1.43 2.03 -0.23 -4.94 116.55 106.40 3hi4 n ASP 84 Ca 0.14 -0.95 -0.37 0.00 0.52 0.00 0.00 54.79 54.13 3hi4 n ASP 84 Cb 0.41 -3.34 -0.05 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 4.25 0.03 -2.67 1.43 -0.65 -5.03 118.68 109.13 3hi4 s LEU 85 Ca 0.06 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 3hi4 s LEU 85 Cb -0.03 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3hi4 s LEU 85 CO 0.87 -0.33 -0.06 -0.54 0.23 0.00 0.00 176.35 176.52 3hi4 s LYS 86 N -2.24 0.46 -1.42 1.70 1.02 -1.26 -4.86 119.74 113.14 3hi4 s LYS 86 Ca 0.54 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.81 3hi4 s LYS 86 Cb -0.22 -0.24 0.04 0.00 -0.52 0.00 0.00 37.83 36.88 3hi4 s LYS 86 CO 0.28 0.04 1.10 0.39 -0.92 0.00 0.00 175.35 176.25 3hi4 n GLU 87 N 1.80 -7.01 -3.03 1.68 1.02 -0.73 -4.52 120.64 109.84 3hi4 n GLU 87 Ca -0.21 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.28 3hi4 n GLU 87 Cb 0.55 -5.73 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 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 -3.32 4.64 -0.28 2.62 0.11 -0.44 -4.22 120.40 119.52 3hi4 s VAL 88 Ca 0.59 1.58 -0.16 0.00 -2.93 0.00 0.00 61.98 61.05 3hi4 s VAL 88 Cb -0.27 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 3hi4 s VAL 88 CO 0.77 0.43 0.44 -0.89 -3.33 0.00 0.00 175.10 172.53 3hi4 s THR 89 N -0.49 5.12 -0.07 5.04 2.01 -0.46 -0.35 115.64 126.43 3hi4 s THR 89 Ca 0.36 0.66 -0.22 0.00 0.31 0.00 0.00 61.69 62.80 3hi4 s THR 89 Cb -0.21 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3hi4 s THR 89 CO 0.23 0.08 0.63 -0.76 -0.69 0.00 0.00 174.62 174.12 3hi4 s LEU 90 N 2.20 4.32 -0.14 4.42 1.43 -0.09 -0.66 118.68 130.16 3hi4 s LEU 90 Ca 0.18 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3hi4 s LEU 90 Cb -0.16 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.12 3hi4 s LEU 90 CO 0.10 -0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 175.83 3hi4 s VAL 91 N 0.64 1.29 -0.03 -1.59 1.01 -0.27 -0.09 120.40 121.35 3hi4 s VAL 91 Ca 0.34 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.84 3hi4 s VAL 91 Cb -0.17 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3hi4 s VAL 91 CO 0.16 0.33 -0.24 -0.83 0.00 0.00 0.00 175.10 174.52 3hi4 s GLY 92 N 1.59 1.18 -0.13 4.51 0.00 -0.53 -0.14 107.32 113.81 3hi4 s GLY 92 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 3hi4 s GLY 92 CO -0.09 -0.73 -0.04 -0.12 0.00 0.00 0.00 173.10 172.12 3hi4 s PHE 93 N -0.35 3.01 0.00 1.90 5.36 -0.29 -1.10 117.98 126.51 3hi4 s PHE 93 Ca 0.03 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 3hi4 s PHE 93 Cb -0.11 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 3hi4 s PHE 93 CO 0.01 0.10 0.00 0.45 -1.46 0.00 0.00 175.22 174.32 3hi4 n SER 94 N 3.07 0.00 0.22 6.13 2.88 0.62 0.02 113.62 126.57 3hi4 n SER 94 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3hi4 n SER 94 Cb 0.53 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.01 -1.46 -0.00 -1.85 -0.60 114.93 111.01 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 0.26 0.02 0.78 -0.00 0.00 0.00 176.91 177.97 3hi4 h GLY 96 N 1.96 0.00 1.60 -3.00 0.00 -0.36 -0.37 103.07 102.91 3hi4 h GLY 96 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3hi4 h GLY 96 CO 0.03 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 175.18 3hi4 h GLY 97 N 0.00 0.53 1.09 4.60 0.00 -1.18 -3.13 103.07 104.98 3hi4 h GLY 97 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 3hi4 h GLY 97 CO -0.00 0.31 -0.00 -1.33 0.00 0.00 0.00 176.54 175.52 3hi4 h GLY 98 N 0.87 1.17 1.81 4.60 0.00 -1.20 -2.32 103.07 107.99 3hi4 h GLY 98 Ca 0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.44 3hi4 h GLY 98 CO 0.02 0.79 -0.69 1.29 0.00 0.00 0.00 176.54 177.95 3hi4 h ASP 99 N 0.98 0.00 -0.44 0.19 3.04 -1.61 -0.08 116.42 118.51 3hi4 h ASP 99 Ca 0.17 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.83 3hi4 h ASP 99 Cb 0.57 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.85 3hi4 h ASP 99 CO 0.03 0.53 -0.23 -0.37 -2.04 0.00 0.00 179.24 177.16 3hi4 h VAL 100 N 0.00 1.27 -0.12 4.15 -1.51 -1.55 0.28 116.25 118.76 3hi4 h VAL 100 Ca -0.03 -1.39 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 3hi4 h VAL 100 Cb 1.44 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3hi4 h VAL 100 CO 0.06 0.48 -0.06 0.00 -1.23 0.00 0.00 177.57 176.82 3hi4 h ALA 101 N 0.90 0.17 -0.14 5.19 0.00 -1.35 -2.56 119.26 121.47 3hi4 h ALA 101 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hi4 h ALA 101 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hi4 h ALA 101 CO 0.07 -0.04 0.04 -0.09 0.00 0.00 0.00 179.25 179.22 3hi4 h ARG 102 N -0.09 0.19 -0.22 0.00 9.65 -1.04 0.82 114.38 123.69 3hi4 h ARG 102 Ca 0.03 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3hi4 h ARG 102 Cb 0.52 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3hi4 h ARG 102 CO 0.02 0.18 0.12 -0.92 2.80 0.00 0.00 179.97 182.17 3hi4 h TYR 103 N 0.20 0.31 -0.78 2.20 3.20 -0.67 -0.96 116.97 120.46 3hi4 h TYR 103 Ca 0.05 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3hi4 h TYR 103 Cb 0.07 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3hi4 h TYR 103 CO 0.00 0.29 0.50 0.82 -1.64 0.00 0.00 178.16 178.13 3hi4 h ILE 104 N 0.24 1.12 -0.57 1.81 2.04 -0.76 -0.41 117.51 120.98 3hi4 h ILE 104 Ca 0.08 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3hi4 h ILE 104 Cb 0.09 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3hi4 h ILE 104 CO -0.01 0.18 0.14 0.00 0.00 0.00 0.00 178.15 178.46 3hi4 h ALA 105 N 1.33 1.18 0.00 1.87 0.00 -0.62 -1.00 119.26 122.01 3hi4 h ALA 105 Ca 0.31 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3hi4 h ALA 105 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hi4 h ALA 105 CO -0.11 0.56 -1.41 0.54 0.00 0.00 0.00 179.25 178.83 3hi4 n ARG 106 N -4.27 0.62 0.00 0.00 1.74 -0.39 -4.51 116.66 109.85 3hi4 n ARG 106 Ca 0.04 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.33 3hi4 n ARG 106 Cb 0.23 -1.80 -0.00 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.85 0.00 -0.20 -1.55 8.25 -0.18 -5.09 115.22 113.60 3hi4 n HIS 107 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.39 3hi4 n HIS 107 Cb 0.81 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.91 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 0.65 -2.07 1.74 -1.41 0.00 -0.39 -4.70 105.19 99.00 3hi4 n GLY 108 Ca 0.00 -1.44 -0.00 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 -2.73 4.78 0.26 1.61 3.41 -1.26 -4.60 113.62 115.08 3hi4 n SER 109 Ca -0.01 -3.16 0.08 0.00 -0.26 0.00 0.00 58.87 55.53 3hi4 n SER 109 Cb 0.09 -0.69 0.64 0.00 -0.26 0.00 0.00 64.21 63.99 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 2.76 1.94 -0.23 7.33 0.00 -1.98 0.25 119.26 129.33 3hi4 h ALA 110 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hi4 h ALA 110 Cb 2.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3hi4 h ALA 110 CO 0.57 0.03 0.00 0.54 0.00 0.00 0.00 179.25 180.39 3hi4 n ARG 111 N -4.47 2.20 -4.09 0.00 1.74 -1.26 -4.74 116.66 106.03 3hi4 n ARG 111 Ca -0.03 -1.79 -0.34 0.00 -0.77 0.00 0.00 57.85 54.92 3hi4 n ARG 111 Cb 0.11 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.71 3.28 -0.19 1.55 1.01 0.08 -1.33 120.40 123.09 3hi4 s VAL 112 Ca 0.35 -0.53 0.17 0.00 0.00 0.00 0.00 61.98 61.97 3hi4 s VAL 112 Cb 0.21 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3hi4 s VAL 112 CO 0.30 0.45 1.23 0.00 0.00 0.00 0.00 175.10 177.09 3hi4 h ALA 113 N 7.78 0.68 -1.29 5.51 0.00 -0.86 -3.45 119.26 127.63 3hi4 h ALA 113 Ca -0.38 -0.46 0.32 0.00 0.00 0.00 0.00 54.91 54.39 3hi4 h ALA 113 Cb 1.17 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 3hi4 h ALA 113 CO 0.60 0.56 0.89 0.20 0.00 0.00 0.00 179.25 181.50 3hi4 s GLY 114 N -4.52 -0.34 -0.04 0.00 0.00 -1.18 -4.35 107.32 96.89 3hi4 s GLY 114 Ca 0.02 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.04 3hi4 s GLY 114 CO 0.76 0.37 -0.02 -2.27 0.00 0.00 0.00 173.10 171.94 3hi4 s LEU 115 N -2.52 1.28 -0.12 0.66 2.96 -0.12 -0.91 118.68 119.90 3hi4 s LEU 115 Ca 0.12 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3hi4 s LEU 115 Cb 0.02 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.38 3hi4 s LEU 115 CO -0.04 -0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.02 3hi4 s VAL 116 N 0.93 1.91 -0.27 1.68 1.01 0.87 -0.28 120.40 126.24 3hi4 s VAL 116 Ca -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3hi4 s VAL 116 Cb -0.14 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.58 3hi4 s VAL 116 CO -0.01 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.85 3hi4 s LEU 117 N 0.73 3.54 -0.24 3.92 1.43 -0.15 -1.45 118.68 126.45 3hi4 s LEU 117 Ca -0.10 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.02 3hi4 s LEU 117 Cb -0.16 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3hi4 s LEU 117 CO 0.01 -0.18 0.01 -0.76 0.23 0.00 0.00 176.35 175.66 3hi4 s LEU 118 N 1.35 3.24 -1.77 1.79 1.43 -0.26 -0.18 118.68 124.29 3hi4 s LEU 118 Ca -0.01 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 3hi4 s LEU 118 Cb -0.18 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.41 3hi4 s LEU 118 CO -0.02 -0.06 0.69 0.61 0.23 0.00 0.00 176.35 177.80 3hi4 n GLY 119 N 4.84 -0.41 3.86 -3.19 0.00 -0.15 -0.27 105.19 109.86 3hi4 n GLY 119 Ca -0.17 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.32 3.29 -0.77 4.61 0.00 -1.26 -2.76 121.76 121.55 3hi4 s ALA 120 Ca 0.74 -0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.90 3hi4 s ALA 120 Cb -0.42 -2.80 0.87 0.00 0.00 0.00 0.00 23.12 20.77 3hi4 s ALA 120 CO 0.97 0.12 1.67 1.33 0.00 0.00 0.00 175.76 179.85 3hi4 n VAL 121 N -0.90 0.73 -2.03 0.00 0.24 -0.97 -4.31 118.33 111.09 3hi4 n VAL 121 Ca 0.04 0.12 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 3hi4 n VAL 121 Cb 0.54 -0.92 0.01 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.13 2.59 -0.58 3.34 -4.23 -1.26 -2.49 115.64 109.89 3hi4 s THR 122 Ca 0.08 0.47 0.24 0.00 -1.18 0.00 0.00 61.69 61.29 3hi4 s THR 122 Cb 0.11 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.72 3hi4 s THR 122 CO 0.40 0.02 1.24 1.55 -0.54 0.00 0.00 174.62 177.29 3hi4 h PRO 123 N 2.02 0.00 -1.79 3.99 0.14 -1.81 -3.22 132.00 131.34 3hi4 h PRO 123 Ca -0.50 0.00 0.08 0.00 0.14 0.00 0.00 66.00 65.72 3hi4 h PRO 123 Cb 1.27 0.00 -0.20 0.00 0.14 0.00 0.00 31.00 32.20 3hi4 h PRO 123 CO 0.60 0.00 0.51 -0.48 0.14 0.00 0.00 178.00 178.77 3hi4 s LEU 124 N -4.37 -0.38 -0.07 1.56 -0.00 -1.04 0.33 118.68 114.71 3hi4 s LEU 124 Ca 0.05 0.30 -0.09 0.00 -0.00 0.00 0.00 54.13 54.40 3hi4 s LEU 124 Cb 0.13 1.94 -0.03 0.00 -0.00 0.00 0.00 46.19 48.23 3hi4 s LEU 124 CO 0.74 -0.43 -0.17 0.33 -0.00 0.00 0.00 176.35 176.82 3hi4 n PHE 125 N 0.45 0.00 -1.87 3.48 -0.00 -1.20 -4.66 117.46 113.66 3hi4 n PHE 125 Ca -0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.05 3hi4 n PHE 125 Cb 0.59 -0.24 0.05 0.00 -0.00 0.00 0.00 39.48 39.88 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 -4.06 1.63 0.62 7.13 0.00 -0.92 -1.32 107.32 110.40 3hi4 s GLY 126 Ca -0.14 -0.33 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 3hi4 s GLY 126 CO 0.20 0.04 1.24 -1.06 0.00 0.00 0.00 173.10 173.52 3hi4 n GLN 127 N -3.01 1.19 -4.30 2.90 6.02 0.35 -4.49 117.38 116.03 3hi4 n GLN 127 Ca 0.07 0.46 -0.16 0.00 -0.01 0.00 0.00 57.00 57.36 3hi4 n GLN 127 Cb 0.57 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.26 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 -3.14 1.34 0.33 -1.09 -0.14 -1.01 -4.90 119.74 111.13 3hi4 s LYS 128 Ca 0.79 -1.70 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 3hi4 s LYS 128 Cb -0.40 -0.31 0.62 0.00 -1.68 0.00 0.00 37.83 36.06 3hi4 s LYS 128 CO 0.43 -0.23 1.95 -1.35 -0.76 0.00 0.00 175.35 175.39 3hi4 h PRO 129 N 2.46 0.88 -0.45 -1.68 0.11 -2.02 -0.03 132.00 131.27 3hi4 h PRO 129 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hi4 h PRO 129 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hi4 h PRO 129 CO 0.62 0.58 0.00 -0.40 -0.21 0.00 0.00 178.00 178.59 3hi4 n ASP 130 N -4.47 2.06 -3.07 -2.05 3.85 -1.26 -4.43 116.55 107.18 3hi4 n ASP 130 Ca 0.11 -2.10 -0.18 0.00 -0.71 0.00 0.00 54.79 51.91 3hi4 n ASP 130 Cb 0.18 -0.31 -0.02 0.00 -1.35 0.00 0.00 41.12 39.62 3hi4 n ASP 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hi4 n TYR 131 N 0.41 -0.97 0.35 2.11 9.36 -0.03 -4.92 117.16 123.47 3hi4 n TYR 131 Ca 0.11 -3.19 0.11 0.00 3.32 0.00 0.00 57.90 58.25 3hi4 n TYR 131 Cb 0.37 0.14 0.47 0.00 -0.63 0.00 0.00 39.34 39.69 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 1.06 0.15 0.00 2.98 -0.04 -1.21 -1.99 135.00 135.95 3hi4 n PRO 132 Ca 0.19 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3hi4 n PRO 132 Cb 0.60 -1.83 0.57 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.13 0.00 -0.36 0.54 0.00 -1.26 -4.79 117.38 109.38 3hi4 n GLN 133 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 57.00 56.77 3hi4 n GLN 133 Cb 0.18 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.19 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 1.25 -3.02 3.72 2.61 0.00 -0.84 -4.97 105.19 103.95 3hi4 n GLY 134 Ca 0.06 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3hi4 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hi4 s VAL 135 N -2.24 4.72 0.51 1.61 1.01 -0.43 -4.34 120.40 121.23 3hi4 s VAL 135 Ca 0.66 1.92 -0.23 0.00 0.00 0.00 0.00 61.98 64.33 3hi4 s VAL 135 Cb -0.18 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 3hi4 s VAL 135 CO 0.60 0.27 1.36 -2.84 0.00 0.00 0.00 175.10 174.49 3hi4 s PRO 136 N 0.39 3.38 0.43 2.72 0.02 -1.26 -0.50 135.00 140.18 3hi4 s PRO 136 Ca 0.46 2.24 0.11 0.00 0.02 0.00 0.00 61.00 63.83 3hi4 s PRO 136 Cb -0.21 -2.40 0.97 0.00 0.02 0.00 0.00 34.50 32.88 3hi4 s PRO 136 CO 0.27 -1.00 2.04 -0.07 -0.33 0.00 0.00 177.00 177.90 3hi4 h LEU 137 N 1.80 0.38 -1.55 -5.54 3.38 -1.94 -1.27 115.31 110.57 3hi4 h LEU 137 Ca -0.51 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.72 3hi4 h LEU 137 Cb 1.28 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 3hi4 h LEU 137 CO 0.59 0.26 0.68 0.44 0.09 0.00 0.00 178.44 180.49 3hi4 h ASP 138 N 0.44 0.33 -0.14 -0.43 3.32 -1.98 0.10 116.42 118.05 3hi4 h ASP 138 Ca 0.19 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3hi4 h ASP 138 Cb 0.19 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hi4 h ASP 138 CO -0.05 0.08 -0.19 0.58 -1.72 0.00 0.00 179.24 177.94 3hi4 h VAL 139 N 0.30 1.36 -0.08 -1.35 2.07 -1.58 -1.92 116.25 115.04 3hi4 h VAL 139 Ca 0.55 -1.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 3hi4 h VAL 139 Cb 1.57 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 3hi4 h VAL 139 CO -0.20 0.41 -0.49 -0.26 0.02 0.00 0.00 177.57 177.05 3hi4 h PHE 140 N 0.00 0.25 -0.82 1.57 0.04 -1.40 -1.86 116.94 114.71 3hi4 h PHE 140 Ca 0.02 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.71 3hi4 h PHE 140 Cb 0.75 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 3hi4 h PHE 140 CO 0.09 0.66 0.53 0.00 -0.60 0.00 0.00 178.31 179.00 3hi4 h ALA 141 N 1.33 1.04 -0.16 2.45 0.00 -0.76 -0.59 119.26 122.56 3hi4 h ALA 141 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hi4 h ALA 141 Cb 0.93 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hi4 h ALA 141 CO 0.07 0.46 -0.25 -0.09 0.00 0.00 0.00 179.25 179.45 3hi4 h ARG 142 N 1.11 0.46 -0.65 0.00 2.43 -1.12 -2.27 114.38 114.34 3hi4 h ARG 142 Ca 0.30 -0.28 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 3hi4 h ARG 142 Cb -0.11 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.36 3hi4 h ARG 142 CO -0.06 0.87 0.05 0.74 -1.51 0.00 0.00 179.97 180.06 3hi4 h PHE 143 N 0.09 0.05 -0.85 2.20 0.04 -1.02 -1.02 116.94 116.44 3hi4 h PHE 143 Ca 0.02 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hi4 h PHE 143 Cb 0.83 0.08 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 3hi4 h PHE 143 CO 0.09 -0.14 0.55 0.87 -0.60 0.00 0.00 178.31 179.08 3hi4 h LYS 144 N 0.16 1.05 -0.56 1.51 1.57 -0.85 0.19 116.57 119.64 3hi4 h LYS 144 Ca 0.35 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3hi4 h LYS 144 Cb 0.57 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3hi4 h LYS 144 CO -0.52 0.69 0.28 1.15 -0.57 0.00 0.00 179.45 180.48 3hi4 h THR 145 N 1.08 1.20 -0.44 -0.16 2.02 -0.79 0.63 112.91 116.44 3hi4 h THR 145 Ca 0.33 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3hi4 h THR 145 Cb -0.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hi4 h THR 145 CO -0.11 0.22 -0.14 -0.33 0.37 0.00 0.00 175.52 175.54 3hi4 h GLU 146 N 0.75 0.87 -0.12 6.66 5.08 -0.34 -2.49 114.58 125.00 3hi4 h GLU 146 Ca 0.19 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3hi4 h GLU 146 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hi4 h GLU 146 CO -0.03 0.99 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.87 3hi4 h LEU 147 N 0.70 0.15 -0.30 1.33 3.38 -0.44 0.56 115.31 120.70 3hi4 h LEU 147 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hi4 h LEU 147 Cb 0.69 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hi4 h LEU 147 CO 0.05 0.23 -0.04 0.18 0.09 0.00 0.00 178.44 178.95 3hi4 n LEU 148 N -4.39 0.50 -0.12 1.67 4.77 0.19 -2.84 117.00 116.78 3hi4 n LEU 148 Ca -0.01 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 3hi4 n LEU 148 Cb 0.18 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3hi4 n LEU 148 CO 0.36 0.09 -1.34 0.29 -1.33 0.00 0.00 177.39 175.46 3hi4 n LYS 149 N -0.74 0.56 -3.10 3.23 5.02 0.00 -4.95 118.16 118.17 3hi4 n LYS 149 Ca 0.19 0.20 -0.02 0.00 -2.02 0.00 0.00 58.31 56.66 3hi4 n LYS 149 Cb 0.23 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 -6.93 -1.26 0.30 4.39 -1.08 -0.13 -5.01 116.67 106.96 3hi4 s ASP 150 Ca -0.34 -1.15 0.12 0.00 -0.52 0.00 0.00 52.55 50.66 3hi4 s ASP 150 Cb 0.12 1.80 0.46 0.00 -1.46 0.00 0.00 42.92 43.84 3hi4 s ASP 150 CO 0.49 -0.14 1.66 0.08 0.52 0.00 0.00 175.17 177.77 3hi4 h ARG 151 N 6.44 0.00 0.05 4.34 0.11 -1.70 -1.86 114.38 121.75 3hi4 h ARG 151 Ca 0.06 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.16 3hi4 h ARG 151 Cb 1.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.20 3hi4 h ARG 151 CO 0.09 0.54 -0.19 0.00 0.10 0.00 0.00 179.97 180.52 3hi4 h ALA 152 N 1.46 -0.27 -0.14 0.08 0.00 -1.95 0.33 119.26 118.77 3hi4 h ALA 152 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3hi4 h ALA 152 Cb 1.01 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3hi4 h ALA 152 CO 0.07 -0.70 -0.60 0.37 0.00 0.00 0.00 179.25 178.39 3hi4 h GLN 153 N -0.33 0.48 -0.35 0.00 5.75 -1.96 -1.95 115.11 116.74 3hi4 h GLN 153 Ca 0.04 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 3hi4 h GLN 153 Cb 0.38 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3hi4 h GLN 153 CO -0.14 0.94 0.19 0.35 -2.65 0.00 0.00 178.83 177.51 3hi4 h PHE 154 N 0.35 0.49 -0.17 3.99 3.57 -1.01 -0.04 116.94 124.12 3hi4 h PHE 154 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3hi4 h PHE 154 Cb 1.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3hi4 h PHE 154 CO 0.04 0.39 -0.26 0.82 -2.23 0.00 0.00 178.31 177.07 3hi4 h ILE 155 N 0.44 1.25 -0.42 1.41 2.04 -0.80 -0.76 117.51 120.67 3hi4 h ILE 155 Ca 0.12 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 3hi4 h ILE 155 Cb 0.06 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3hi4 h ILE 155 CO -0.02 0.36 0.25 -1.28 0.00 0.00 0.00 178.15 177.46 3hi4 h SER 156 N 0.28 0.51 0.55 1.72 0.87 -0.80 -1.98 113.55 114.71 3hi4 h SER 156 Ca 0.04 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3hi4 h SER 156 Cb 0.61 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3hi4 h SER 156 CO 0.04 0.42 -0.33 0.44 -0.53 0.00 0.00 176.83 176.88 3hi4 h ASP 157 N 0.56 0.00 0.41 6.23 3.32 -0.79 -2.99 116.42 123.15 3hi4 h ASP 157 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3hi4 h ASP 157 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hi4 h ASP 157 CO -0.03 0.33 -0.16 0.15 -1.72 0.00 0.00 179.24 177.81 3hi4 h PHE 158 N 0.00 0.00 -0.66 4.55 3.04 -0.37 -3.23 116.94 120.27 3hi4 h PHE 158 Ca -0.00 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.08 3hi4 h PHE 158 Cb 0.69 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.10 3hi4 h PHE 158 CO 0.00 0.16 0.10 -0.91 -2.02 0.00 0.00 178.31 175.64 3hi4 h ASN 159 N 0.00 -0.10 0.77 0.41 2.35 -1.34 -0.69 115.58 116.98 3hi4 h ASN 159 Ca -0.00 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3hi4 h ASN 159 Cb 0.41 0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.00 3hi4 h ASN 159 CO 0.02 -0.06 -0.37 0.00 -1.65 0.00 0.00 177.43 175.37 3hi4 h ALA 160 N 1.56 -1.03 0.00 -0.83 0.00 -1.78 -1.27 119.26 115.92 3hi4 h ALA 160 Ca 0.36 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hi4 h ALA 160 Cb 0.58 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hi4 h ALA 160 CO -0.49 -1.05 -0.33 -1.00 0.00 0.00 0.00 179.25 176.38 3hi4 h PRO 161 N -1.10 0.00 -0.08 0.00 0.13 -1.72 0.12 132.00 129.35 3hi4 h PRO 161 Ca -0.11 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3hi4 h PRO 161 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3hi4 h PRO 161 CO 0.17 0.33 -0.06 0.35 -0.23 0.00 0.00 178.00 178.56 3hi4 h PHE 162 N 0.00 -0.15 -0.00 1.56 3.04 -0.98 -2.95 116.94 117.46 3hi4 h PHE 162 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hi4 h PHE 162 Cb 0.89 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.48 3hi4 h PHE 162 CO 0.00 -0.10 -0.38 0.66 -2.02 0.00 0.00 178.31 176.46 3hi4 n TYR 163 N -5.19 0.00 -2.00 0.41 4.01 -0.49 -0.20 117.16 113.69 3hi4 n TYR 163 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.58 3hi4 n TYR 163 Cb 0.12 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.44 0.23 0.23 2.72 0.00 0.30 -4.64 105.19 105.46 3hi4 n GLY 164 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 1.15 0.00 -0.61 2.04 -1.39 -0.39 117.51 118.32 3hi4 h ILE 165 Ca -0.26 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3hi4 h ILE 165 Cb 1.08 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3hi4 h ILE 165 CO 0.32 0.21 0.00 -0.46 0.00 0.00 0.00 178.15 178.21 3hi4 n ASN 166 N -4.30 0.29 -2.17 1.72 6.94 -1.25 -3.17 115.26 113.32 3hi4 n ASN 166 Ca -0.02 0.55 -0.26 0.00 -0.02 0.00 0.00 54.58 54.83 3hi4 n ASN 166 Cb 0.26 -0.62 0.02 0.00 -2.36 0.00 0.00 39.78 37.08 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 -1.79 3.45 -0.97 -3.83 5.02 -0.65 -4.95 118.16 114.43 3hi4 n LYS 167 Ca 0.04 -4.10 0.00 0.00 -2.02 0.00 0.00 58.31 52.23 3hi4 n LYS 167 Cb 0.27 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3hi4 n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hi4 n GLY 168 N -0.69 0.15 3.78 0.72 0.00 -1.19 -5.03 105.19 102.93 3hi4 n GLY 168 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.37 2.83 -0.23 1.61 -1.52 -0.25 -4.98 119.66 115.74 3hi4 s GLN 169 Ca 0.00 1.32 -0.02 0.00 -1.95 0.00 0.00 55.36 54.71 3hi4 s GLN 169 Cb 0.00 -1.96 0.02 0.00 -0.22 0.00 0.00 33.01 30.85 3hi4 s GLN 169 CO 0.00 -1.22 -0.09 0.08 -0.25 0.00 0.00 175.29 173.82 3hi4 s VAL 170 N -2.45 2.82 -0.03 1.09 1.01 -1.26 -4.36 120.40 117.22 3hi4 s VAL 170 Ca 0.65 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3hi4 s VAL 170 Cb -0.19 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.86 3hi4 s VAL 170 CO 0.43 0.32 -0.03 -0.69 0.00 0.00 0.00 175.10 175.13 3hi4 s VAL 171 N 1.35 0.37 0.84 2.92 1.01 -1.26 -4.97 120.40 120.67 3hi4 s VAL 171 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3hi4 s VAL 171 Cb -0.15 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 35.93 3hi4 s VAL 171 CO -0.06 0.17 1.13 -0.94 0.00 0.00 0.00 175.10 175.40 3hi4 s SER 172 N 0.72 3.63 0.35 3.32 1.04 -1.26 -4.91 113.70 116.59 3hi4 s SER 172 Ca -0.08 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.46 3hi4 s SER 172 Cb -0.12 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 64.12 3hi4 s SER 172 CO -0.01 -2.63 1.92 -0.61 0.98 0.00 0.00 173.24 172.90 3hi4 h GLN 173 N -1.45 0.54 -0.08 4.02 5.75 -2.00 -2.76 115.11 119.13 3hi4 h GLN 173 Ca -0.44 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 57.98 3hi4 h GLN 173 Cb 1.26 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 3hi4 h GLN 173 CO 0.46 0.51 0.01 0.78 -2.65 0.00 0.00 178.83 177.94 3hi4 h GLY 174 N 0.77 0.09 1.07 2.39 0.00 -1.99 0.38 103.07 105.77 3hi4 h GLY 174 Ca 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.48 3hi4 h GLY 174 CO -0.00 -0.00 0.56 -2.08 0.00 0.00 0.00 176.54 175.01 3hi4 h VAL 175 N 0.05 1.15 -0.40 4.60 2.07 -1.90 -0.87 116.25 120.96 3hi4 h VAL 175 Ca 0.04 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 3hi4 h VAL 175 Cb 0.03 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3hi4 h VAL 175 CO -0.05 0.20 -0.22 1.56 0.02 0.00 0.00 177.57 179.07 3hi4 h GLN 176 N 1.07 0.85 0.06 1.57 4.20 -1.06 -1.33 115.11 120.48 3hi4 h GLN 176 Ca 0.33 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3hi4 h GLN 176 Cb -0.00 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3hi4 h GLN 176 CO -0.09 1.03 -0.20 1.15 -0.67 0.00 0.00 178.83 180.04 3hi4 h THR 177 N 0.66 0.54 -0.85 -0.54 2.02 -0.67 -1.26 112.91 112.82 3hi4 h THR 177 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3hi4 h THR 177 Cb 0.79 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3hi4 h THR 177 CO 0.06 0.00 0.55 -0.61 0.37 0.00 0.00 175.52 175.90 3hi4 h GLN 178 N -0.35 1.06 -0.52 6.66 4.15 -1.08 0.57 115.11 125.60 3hi4 h GLN 178 Ca 0.04 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3hi4 h GLN 178 Cb 0.39 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3hi4 h GLN 178 CO -0.14 0.70 0.30 1.15 -1.93 0.00 0.00 178.83 178.91 3hi4 h THR 179 N 1.09 1.16 -0.19 2.39 2.02 -0.90 -0.92 112.91 117.55 3hi4 h THR 179 Ca 0.33 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3hi4 h THR 179 Cb -0.04 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3hi4 h THR 179 CO -0.10 0.17 -0.20 0.25 0.37 0.00 0.00 175.52 176.00 3hi4 h LEU 180 N 0.69 0.51 -0.49 2.58 5.85 -0.31 -1.36 115.31 122.78 3hi4 h LEU 180 Ca 0.18 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3hi4 h LEU 180 Cb 0.00 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3hi4 h LEU 180 CO -0.03 0.89 0.16 -0.61 -0.34 0.00 0.00 178.44 178.50 3hi4 h GLN 181 N 0.14 0.31 -0.12 1.25 4.15 -0.77 -0.09 115.11 119.99 3hi4 h GLN 181 Ca 0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hi4 h GLN 181 Cb 0.75 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 3hi4 h GLN 181 CO 0.05 0.21 0.05 0.82 -1.93 0.00 0.00 178.83 178.03 3hi4 h ILE 182 N 0.32 1.13 -0.94 2.39 2.04 -1.13 -2.69 117.51 118.63 3hi4 h ILE 182 Ca 0.24 -0.37 0.20 0.00 1.00 0.00 0.00 64.86 65.92 3hi4 h ILE 182 Cb 0.27 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 3hi4 h ILE 182 CO -0.26 0.11 0.61 0.00 0.00 0.00 0.00 178.15 178.61 3hi4 h ALA 183 N 0.92 2.00 0.00 1.87 0.00 -0.31 -1.82 119.26 121.92 3hi4 h ALA 183 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hi4 h ALA 183 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hi4 h ALA 183 CO -0.00 -0.31 0.00 -0.07 0.00 0.00 0.00 179.25 178.86 3hi4 h LEU 184 N 0.55 0.00 -1.76 0.00 3.38 -0.72 -2.43 115.31 114.34 3hi4 h LEU 184 Ca 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 3hi4 h LEU 184 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3hi4 h LEU 184 CO -0.25 0.00 0.02 -0.07 0.09 0.00 0.00 178.44 178.24 3hi4 h LEU 185 N 0.00 0.15-10.33 1.67 3.38 -1.15 -3.46 115.31 105.58 3hi4 h LEU 185 Ca 0.00 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 3hi4 h LEU 185 Cb 0.70 -0.04 0.10 0.00 0.09 0.00 0.00 40.66 41.52 3hi4 h LEU 185 CO 0.00 0.17 0.36 0.00 0.09 0.00 0.00 178.44 179.06 3hi4 s ALA 186 N -5.07 2.61 0.27 1.53 0.00 -0.92 -4.54 121.76 115.65 3hi4 s ALA 186 Ca -0.06 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 3hi4 s ALA 186 Cb 0.17 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3hi4 s ALA 186 CO 0.70 -1.30 1.40 0.45 0.00 0.00 0.00 175.76 177.00 3hi4 s SER 187 N -3.68 6.69 0.16 0.00 0.15 0.76 -4.95 113.70 112.83 3hi4 s SER 187 Ca 0.59 2.66 -0.16 0.00 0.70 0.00 0.00 55.95 59.74 3hi4 s SER 187 Cb -0.15 -2.63 0.09 0.00 -1.71 0.00 0.00 66.02 61.63 3hi4 s SER 187 CO 0.54 -0.65 1.72 0.25 1.20 0.00 0.00 173.24 176.30 3hi4 h LEU 188 N 4.61 -0.06 0.09 3.45 5.85 -1.95 0.76 115.31 128.06 3hi4 h LEU 188 Ca -0.47 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.34 3hi4 h LEU 188 Cb 1.22 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3hi4 h LEU 188 CO 0.74 0.00 -0.16 0.50 -0.34 0.00 0.00 178.44 179.19 3hi4 h LYS 189 N 0.16 -0.30 -0.66 1.25 1.63 -1.96 -1.12 116.57 115.57 3hi4 h LYS 189 Ca 0.18 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 3hi4 h LYS 189 Cb 0.23 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3hi4 h LYS 189 CO -0.27 -0.20 0.19 0.00 -3.45 0.00 0.00 179.45 175.72 3hi4 h ALA 190 N 0.55 1.09 -0.88 5.00 0.00 -1.82 -0.41 119.26 122.80 3hi4 h ALA 190 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hi4 h ALA 190 Cb 0.33 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hi4 h ALA 190 CO -0.09 0.61 0.51 1.15 0.00 0.00 0.00 179.25 181.43 3hi4 h THR 191 N 0.97 1.25 0.00 0.00 2.02 -0.38 -0.89 112.91 115.88 3hi4 h THR 191 Ca 0.21 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3hi4 h THR 191 Cb 0.30 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3hi4 h THR 191 CO -0.01 0.27 -0.00 0.58 0.37 0.00 0.00 175.52 176.73 3hi4 h VAL 192 N 1.22 1.71 -0.78 3.16 2.07 -0.91 -3.28 116.25 119.43 3hi4 h VAL 192 Ca 0.31 -2.09 0.16 0.00 0.82 0.00 0.00 66.70 65.90 3hi4 h VAL 192 Cb -0.02 3.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 3hi4 h VAL 192 CO -0.06 0.54 0.52 0.44 0.02 0.00 0.00 177.57 179.04 3hi4 h ASP 193 N -0.89 0.39 -0.10 0.57 3.32 -1.01 -1.66 116.42 117.04 3hi4 h ASP 193 Ca -0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3hi4 h ASP 193 Cb 0.89 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3hi4 h ASP 193 CO 0.00 0.19 -0.19 0.00 -1.72 0.00 0.00 179.24 177.52 3hi4 h VAL 195 N 0.45 0.34 -0.53 0.00 2.07 -1.36 0.44 116.25 117.66 3hi4 h VAL 195 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3hi4 h VAL 195 Cb 0.59 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 3hi4 h VAL 195 CO 0.04 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 178.04 3hi4 h THR 196 N -0.60 0.19 -0.13 2.57 2.02 -1.35 0.24 112.91 115.85 3hi4 h THR 196 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hi4 h THR 196 Cb 0.58 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3hi4 h THR 196 CO -0.12 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.74 3hi4 h ALA 197 N 0.92 0.09 0.00 6.16 0.00 -0.78 -2.12 119.26 123.52 3hi4 h ALA 197 Ca 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3hi4 h ALA 197 Cb 0.54 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hi4 h ALA 197 CO -0.63 -0.48 -0.17 0.27 0.00 0.00 0.00 179.25 178.23 3hi4 h PHE 198 N -0.00 0.00 -0.24 0.00 -5.15 -0.62 -1.97 116.94 108.96 3hi4 h PHE 198 Ca 0.06 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.69 3hi4 h PHE 198 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.26 3hi4 h PHE 198 CO -0.17 0.17 -0.42 0.00 -2.00 0.00 0.00 178.31 175.88 3hi4 h ALA 199 N 1.83 0.80 0.00 12.09 0.00 -0.24 -3.39 119.26 130.35 3hi4 h ALA 199 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hi4 h ALA 199 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hi4 h ALA 199 CO 0.02 0.65 -0.15 0.39 0.00 0.00 0.00 179.25 180.16 3hi4 n GLU 200 N -4.02 5.97 -2.75 0.00 1.02 -0.83 -2.15 120.64 117.87 3hi4 n GLU 200 Ca -0.02 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 3hi4 n GLU 200 Cb 0.53 -0.60 -0.03 0.00 -0.02 0.00 0.00 31.44 31.32 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 -1.21 4.88 -0.35 2.62 2.01 -0.75 -5.01 115.64 117.84 3hi4 s THR 201 Ca 0.00 1.97 -0.16 0.00 0.31 0.00 0.00 61.69 63.82 3hi4 s THR 201 Cb 0.01 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 3hi4 s THR 201 CO 0.05 0.15 0.38 -0.62 -0.69 0.00 0.00 174.62 173.89 3hi4 s ASP 202 N 0.99 6.19 0.00 3.53 -1.08 -1.26 -4.57 116.67 120.47 3hi4 s ASP 202 Ca 0.50 -0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.48 3hi4 s ASP 202 Cb -0.20 -2.20 0.62 0.00 -1.46 0.00 0.00 42.92 39.68 3hi4 s ASP 202 CO 0.25 -0.37 1.53 0.49 0.52 0.00 0.00 175.17 177.59 3hi4 n PHE 203 N 5.42 0.93 -0.34 -5.34 3.72 0.15 -4.49 117.46 117.51 3hi4 n PHE 203 Ca -0.09 -0.46 0.02 0.00 -0.05 0.00 0.00 57.45 56.87 3hi4 n PHE 203 Cb 0.49 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.22 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 4.36 1.13 -0.28 -1.08 3.08 -1.85 -0.36 114.38 119.38 3hi4 h ARG 204 Ca 0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3hi4 h ARG 204 Cb 0.99 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3hi4 h ARG 204 CO 0.00 0.75 -0.04 -1.35 -1.07 0.00 0.00 179.97 178.26 3hi4 h PRO 205 N 1.17 0.43 -0.44 0.04 0.11 -1.92 -1.71 132.00 129.68 3hi4 h PRO 205 Ca 0.39 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 3hi4 h PRO 205 Cb 0.07 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 3hi4 h PRO 205 CO -0.13 0.49 0.10 -0.44 -0.21 0.00 0.00 178.00 177.81 3hi4 h ASP 206 N 0.41 0.61 -0.70 -2.05 3.45 -1.42 -2.40 116.42 114.31 3hi4 h ASP 206 Ca 0.09 -0.10 0.11 0.00 0.43 0.00 0.00 57.03 57.57 3hi4 h ASP 206 Cb 0.33 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 38.86 3hi4 h ASP 206 CO 0.01 0.61 0.30 0.24 -1.57 0.00 0.00 179.24 178.83 3hi4 h MET 207 N 0.64 0.47 0.00 3.56 2.86 -0.21 -1.72 114.93 120.53 3hi4 h MET 207 Ca 0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hi4 h MET 207 Cb 0.25 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hi4 h MET 207 CO -0.00 0.31 -0.00 0.00 1.06 0.00 0.00 176.91 178.28 3hi4 h ALA 208 N 1.48 1.00 -0.01 6.32 0.00 -1.45 -1.65 119.26 124.95 3hi4 h ALA 208 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hi4 h ALA 208 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hi4 h ALA 208 CO -0.34 0.00 -0.25 1.63 0.00 0.00 0.00 179.25 180.29 3hi4 n LYS 209 N -3.09 0.78 -2.63 0.00 4.76 -0.66 -4.82 118.16 112.49 3hi4 n LYS 209 Ca -0.01 -0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 54.57 3hi4 n LYS 209 Cb 0.21 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 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 -2.53 4.08 -0.29 -0.18 1.01 -0.62 -4.87 121.20 117.81 3hi4 s ILE 210 Ca 0.24 0.79 0.08 0.00 0.00 0.00 0.00 60.65 61.76 3hi4 s ILE 210 Cb 0.19 -4.69 0.46 0.00 0.01 0.00 0.00 42.46 38.43 3hi4 s ILE 210 CO 0.52 -1.30 1.31 -0.90 0.00 0.00 0.00 174.94 174.58 3hi4 n ASP 211 N 8.26 3.57 -4.35 3.58 5.75 -1.26 -4.50 116.55 127.60 3hi4 n ASP 211 Ca 0.07 -3.81 -0.19 0.00 -0.01 0.00 0.00 54.79 50.84 3hi4 n ASP 211 Cb 0.49 -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 -3.91 1.81 0.36 2.12 -7.23 -1.26 -5.11 120.40 107.18 3hi4 s VAL 212 Ca 0.46 -2.17 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 3hi4 s VAL 212 Cb 0.40 -2.02 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 3hi4 s VAL 212 CO -0.01 -0.53 1.44 -2.65 -0.31 0.00 0.00 175.10 173.05 3hi4 n PRO 213 N -0.27 2.53 -4.07 4.82 -0.02 -1.26 -4.77 135.00 131.96 3hi4 n PRO 213 Ca -0.09 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.10 3hi4 n PRO 213 Cb 0.60 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.03 0.38 -0.12 3.45 2.01 -1.26 -0.95 115.64 118.12 3hi4 s THR 214 Ca 0.55 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3hi4 s THR 214 Cb -0.50 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 3hi4 s THR 214 CO 0.62 0.19 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.39 3hi4 s LEU 215 N 0.93 2.71 -0.20 4.42 2.96 0.62 -0.81 118.68 129.30 3hi4 s LEU 215 Ca -0.11 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 3hi4 s LEU 215 Cb -0.14 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hi4 s LEU 215 CO -0.01 0.18 0.00 -0.69 -1.32 0.00 0.00 176.35 174.51 3hi4 s VAL 216 N 0.28 4.00 -0.03 1.68 1.01 0.36 -0.98 120.40 126.72 3hi4 s VAL 216 Ca -0.10 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3hi4 s VAL 216 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3hi4 s VAL 216 CO 0.05 0.43 -0.24 -0.63 0.00 0.00 0.00 175.10 174.72 3hi4 s ILE 217 N 0.93 1.88 0.01 2.22 1.01 0.74 -0.31 121.20 127.69 3hi4 s ILE 217 Ca 0.01 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 3hi4 s ILE 217 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3hi4 s ILE 217 CO 0.02 0.53 0.29 -2.28 0.00 0.00 0.00 174.94 173.50 3hi4 s HIS 218 N -0.44 -0.13 -0.01 3.97 2.46 -0.57 -0.98 115.29 119.60 3hi4 s HIS 218 Ca 0.06 0.11 -0.14 0.00 0.47 0.00 0.00 55.06 55.56 3hi4 s HIS 218 Cb -0.10 0.08 -0.06 0.00 -0.13 0.00 0.00 32.58 32.38 3hi4 s HIS 218 CO 0.00 -0.43 0.39 0.20 -2.47 0.00 0.00 174.74 172.43 3hi4 s GLY 219 N -1.64 2.45 0.00 1.59 0.00 -1.26 -0.82 107.32 107.65 3hi4 s GLY 219 Ca -0.10 -0.25 0.22 0.00 0.00 0.00 0.00 44.72 44.58 3hi4 s GLY 219 CO 0.01 0.10 1.50 2.09 0.00 0.00 0.00 173.10 176.80 3hi4 n ASP 220 N 1.81 2.24 -1.13 1.64 5.68 -1.04 -2.82 116.55 122.93 3hi4 n ASP 220 Ca -0.14 -1.80 0.06 0.00 -0.50 0.00 0.00 54.79 52.40 3hi4 n ASP 220 Cb 0.53 -0.14 0.23 0.00 -1.14 0.00 0.00 41.12 40.60 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 1.25 1.83 3.62 6.12 0.00 -0.53 -4.76 105.19 112.72 3hi4 n GLY 221 Ca 0.17 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.73 6.07 0.00 1.61 -1.08 -1.06 -4.56 116.67 116.91 3hi4 s ASP 222 Ca 0.33 1.82 0.27 0.00 -0.52 0.00 0.00 52.55 54.45 3hi4 s ASP 222 Cb 0.21 -2.52 0.92 0.00 -1.46 0.00 0.00 42.92 40.07 3hi4 s ASP 222 CO 0.15 -1.48 1.68 0.00 0.52 0.00 0.00 175.17 176.03 3hi4 n GLN 223 N 8.06 0.60 -0.10 4.34 6.02 -1.26 -4.33 117.38 130.71 3hi4 n GLN 223 Ca 0.23 -0.29 -0.20 0.00 -0.01 0.00 0.00 57.00 56.72 3hi4 n GLN 223 Cb 0.45 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 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 -0.95 1.09 -4.00 5.09 2.08 -1.26 -4.89 119.36 116.52 3hi4 n ILE 224 Ca 0.12 -0.29 -0.31 0.00 0.56 0.00 0.00 62.75 62.83 3hi4 n ILE 224 Cb 0.32 -1.71 -0.15 0.00 -0.75 0.00 0.00 39.64 37.35 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 -2.36 2.15 0.05 1.39 1.01 -1.26 -5.09 120.40 116.29 3hi4 s VAL 225 Ca -0.27 -2.20 -0.30 0.00 0.00 0.00 0.00 61.98 59.20 3hi4 s VAL 225 Cb 0.10 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 3hi4 s VAL 225 CO 0.36 -0.55 1.69 -2.16 0.00 0.00 0.00 175.10 174.44 3hi4 s PRO 226 N 0.98 4.19 0.20 2.72 0.04 -1.26 -4.76 135.00 137.10 3hi4 s PRO 226 Ca 0.09 2.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 3hi4 s PRO 226 Cb -0.19 -3.70 0.23 0.00 0.04 0.00 0.00 34.50 30.87 3hi4 s PRO 226 CO -0.09 -0.78 1.73 0.35 0.04 0.00 0.00 177.00 178.25 3hi4 h PHE 227 N 8.71 0.27 -0.26 0.56 3.04 -1.81 -2.77 116.94 124.69 3hi4 h PHE 227 Ca -0.43 0.03 0.08 0.00 3.98 0.00 0.00 57.97 61.63 3hi4 h PHE 227 Cb 1.20 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 3hi4 h PHE 227 CO 0.81 0.05 0.19 0.93 -2.02 0.00 0.00 178.31 178.26 3hi4 h GLU 228 N 0.32 0.00 -0.18 1.11 4.39 -1.95 -2.18 114.58 116.09 3hi4 h GLU 228 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3hi4 h GLU 228 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3hi4 h GLU 228 CO -0.31 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 177.79 3hi4 n THR 229 N -4.45 0.71 0.00 1.13 -2.24 -1.09 -4.34 114.28 104.00 3hi4 n THR 229 Ca 0.03 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3hi4 n THR 229 Cb 0.34 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.30 0.00 -0.34 4.28 -2.24 -0.86 -4.57 114.28 110.86 3hi4 n THR 230 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3hi4 n THR 230 Cb 0.33 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.70 1.01 3.38 0.00 -1.55 0.31 103.07 107.92 3hi4 h GLY 231 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3hi4 h GLY 231 CO 0.00 -0.10 0.26 1.70 0.00 0.00 0.00 176.54 178.40 3hi4 h LYS 232 N 0.68 0.98 -0.18 4.80 3.64 -1.70 -1.81 116.57 122.98 3hi4 h LYS 232 Ca 0.56 -0.18 -0.20 0.00 -1.27 0.00 0.00 60.65 59.57 3hi4 h LYS 232 Cb 0.90 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3hi4 h LYS 232 CO -0.40 0.82 -0.66 0.28 -2.27 0.00 0.00 179.45 177.22 3hi4 h VAL 233 N 0.92 1.29 -0.36 2.00 2.07 -1.19 -3.11 116.25 117.88 3hi4 h VAL 233 Ca 0.22 -1.87 0.05 0.00 0.82 0.00 0.00 66.70 65.92 3hi4 h VAL 233 Cb 0.21 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 3hi4 h VAL 233 CO -0.02 0.59 0.09 0.00 0.02 0.00 0.00 177.57 178.26 3hi4 h ALA 234 N 0.57 0.40 -0.60 1.67 0.00 -0.35 0.44 119.26 121.39 3hi4 h ALA 234 Ca -0.03 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3hi4 h ALA 234 Cb 1.28 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3hi4 h ALA 234 CO 0.14 -0.31 0.40 0.00 0.00 0.00 0.00 179.25 179.48 3hi4 h ALA 235 N 1.26 2.04 0.14 0.00 0.00 -1.35 -1.82 119.26 119.53 3hi4 h ALA 235 Ca 0.17 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 3hi4 h ALA 235 Cb 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hi4 h ALA 235 CO -0.21 -0.18 -1.26 0.93 0.00 0.00 0.00 179.25 178.54 3hi4 h GLU 236 N 0.39 0.41 0.00 0.00 5.08 -1.19 -3.35 114.58 115.93 3hi4 h GLU 236 Ca 0.28 -0.63 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3hi4 h GLU 236 Cb 0.58 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hi4 h GLU 236 CO -0.08 1.28 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.81 3hi4 h LEU 237 N 0.15 0.00 -8.99 1.33 3.38 -0.57 -3.43 115.31 107.18 3hi4 h LEU 237 Ca -0.16 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.19 3hi4 h LEU 237 Cb 1.95 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.58 3hi4 h LEU 237 CO 0.22 0.20 -0.07 -0.63 0.09 0.00 0.00 178.44 178.26 3hi4 s ILE 238 N -3.12 5.10 0.13 1.22 1.01 -0.72 -4.59 121.20 120.22 3hi4 s ILE 238 Ca 0.05 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.21 3hi4 s ILE 238 Cb 0.06 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 3hi4 s ILE 238 CO 0.71 0.12 1.71 -0.75 0.00 0.00 0.00 174.94 176.73 3hi4 s LYS 239 N 2.15 4.17 0.00 2.79 2.20 -1.26 -2.41 119.74 127.38 3hi4 s LYS 239 Ca 0.20 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3hi4 s LYS 239 Cb -0.16 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3hi4 s LYS 239 CO 0.09 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 3hi4 n GLY 240 N 4.03 0.98 3.76 5.54 0.00 -1.26 -4.87 105.19 113.37 3hi4 n GLY 240 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3hi4 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi4 s ALA 241 N -3.43 3.01 0.03 4.61 0.00 -1.01 -4.70 121.76 120.26 3hi4 s ALA 241 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3hi4 s ALA 241 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3hi4 s ALA 241 CO 0.00 -1.21 0.10 -2.00 0.00 0.00 0.00 175.76 172.64 3hi4 s GLU 242 N -2.68 3.06 -0.10 0.00 2.12 0.01 -4.97 118.70 116.13 3hi4 s GLU 242 Ca 0.66 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 55.49 3hi4 s GLU 242 Cb -0.40 -2.84 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 3hi4 s GLU 242 CO 0.50 0.62 -0.23 -1.17 -0.54 0.00 0.00 175.26 174.43 3hi4 s LEU 243 N -2.03 2.14 -0.05 2.70 2.96 -1.26 -0.49 118.68 122.65 3hi4 s LEU 243 Ca 0.26 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3hi4 s LEU 243 Cb -0.12 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3hi4 s LEU 243 CO 0.18 0.16 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.60 3hi4 s LYS 244 N 0.33 2.34 -0.18 1.98 1.02 0.57 -4.96 119.74 120.84 3hi4 s LYS 244 Ca -0.18 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 3hi4 s LYS 244 Cb -0.18 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3hi4 s LYS 244 CO 0.09 0.37 -0.09 0.08 -0.92 0.00 0.00 175.35 174.88 3hi4 s VAL 245 N -0.17 3.14 -0.40 3.17 1.01 -1.26 -1.51 120.40 124.38 3hi4 s VAL 245 Ca -0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3hi4 s VAL 245 Cb -0.13 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3hi4 s VAL 245 CO 0.03 0.47 0.63 -0.31 0.00 0.00 0.00 175.10 175.92 3hi4 s TYR 246 N 1.02 3.11 0.11 5.22 1.51 -0.00 -4.97 117.35 123.35 3hi4 s TYR 246 Ca -0.00 0.13 -0.31 0.00 -1.01 0.00 0.00 57.07 55.88 3hi4 s TYR 246 Cb -0.15 -3.23 -0.09 0.00 -0.11 0.00 0.00 41.96 38.38 3hi4 s TYR 246 CO -0.01 -0.74 1.68 0.21 -1.11 0.00 0.00 175.55 175.58 3hi4 s LYS 247 N 2.74 4.18 0.00 -0.62 2.20 -1.26 -1.24 119.74 125.74 3hi4 s LYS 247 Ca 0.23 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3hi4 s LYS 247 Cb -0.14 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 3hi4 s LYS 247 CO 0.17 -0.73 0.00 -0.25 -0.36 0.00 0.00 175.35 174.18 3hi4 n ASP 248 N 5.11 -2.44 -4.74 1.43 10.43 -1.26 -4.90 116.55 120.18 3hi4 n ASP 248 Ca 0.16 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.15 3hi4 n ASP 248 Cb 0.39 -2.78 0.06 0.00 1.84 0.00 0.00 41.12 40.63 3hi4 n ASP 248 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hi4 s ALA 249 N -1.11 2.43 0.85 2.24 0.00 -0.37 -4.07 121.76 121.72 3hi4 s ALA 249 Ca 0.00 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 3hi4 s ALA 249 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.73 3hi4 s ALA 249 CO 0.00 -1.45 0.77 -0.35 0.00 0.00 0.00 175.76 174.73 3hi4 n PRO 250 N -1.82 -0.45 -0.10 0.00 -0.04 -1.26 -1.46 135.00 129.87 3hi4 n PRO 250 Ca 0.15 -1.49 -0.08 0.00 -0.04 0.00 0.00 63.50 62.04 3hi4 n PRO 250 Cb 0.49 -0.70 -0.00 0.00 -0.04 0.00 0.00 33.50 33.24 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 -1.12 0.37 0.00 0.54 -0.00 -1.77 -3.30 115.15 109.86 3hi4 h HIS 251 Ca -0.25 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.05 3hi4 h HIS 251 Cb 0.77 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.03 3hi4 h HIS 251 CO 0.00 0.22 -0.11 0.41 -0.00 0.00 0.00 177.93 178.44 3hi4 n GLY 252 N -1.19 2.38 0.04 5.26 0.00 0.72 -4.56 105.19 107.83 3hi4 n GLY 252 Ca -0.00 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 2.10 0.35 0.27 1.61 1.16 -1.24 -1.29 117.46 120.42 3hi4 n PHE 253 Ca 0.18 0.10 0.14 0.00 -1.87 0.00 0.00 57.45 56.00 3hi4 n PHE 253 Cb 0.58 -0.66 0.79 0.00 -1.61 0.00 0.00 39.48 38.57 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 2.82 1.30 0.00 1.98 0.00 -1.88 0.26 119.26 123.74 3hi4 h ALA 254 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3hi4 h ALA 254 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hi4 h ALA 254 CO 0.00 0.11 -1.04 1.33 0.00 0.00 0.00 179.25 179.65 3hi4 n VAL 255 N -3.62 1.50 0.19 0.00 0.24 -0.41 -3.61 118.33 112.62 3hi4 n VAL 255 Ca -0.02 0.05 0.06 0.00 -2.04 0.00 0.00 64.34 62.38 3hi4 n VAL 255 Cb 0.20 -2.15 0.35 0.00 -1.47 0.00 0.00 33.84 30.77 3hi4 n VAL 255 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3hi4 h THR 256 N -1.00 0.91 -0.60 3.34 1.35 -1.44 -3.08 112.91 112.39 3hi4 h THR 256 Ca -0.25 -1.48 -0.44 0.00 -0.55 0.00 0.00 66.41 63.70 3hi4 h THR 256 Cb 1.06 1.89 -0.35 0.00 -1.73 0.00 0.00 68.15 69.02 3hi4 h THR 256 CO -0.15 0.36 -0.78 1.41 -0.25 0.00 0.00 175.52 176.12 3hi4 n HIS 257 N -3.58 2.17 0.02 4.73 -0.00 0.91 -4.91 115.22 114.55 3hi4 n HIS 257 Ca -0.00 -2.07 -0.10 0.00 -0.00 0.00 0.00 57.72 55.54 3hi4 n HIS 257 Cb 0.49 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 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 1.98 -0.23 -0.75 -1.41 0.00 -1.54 -1.00 119.26 116.30 3hi4 h ALA 258 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hi4 h ALA 258 Cb 1.44 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 3hi4 h ALA 258 CO 0.59 -0.70 0.42 0.37 0.00 0.00 0.00 179.25 179.93 3hi4 h GLN 259 N -0.31 1.04 -0.72 0.00 4.15 -1.89 -0.05 115.11 117.33 3hi4 h GLN 259 Ca 0.09 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3hi4 h GLN 259 Cb 0.45 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3hi4 h GLN 259 CO -0.28 0.77 0.19 0.37 -1.93 0.00 0.00 178.83 177.96 3hi4 h GLN 260 N 1.04 1.15 -0.36 1.69 4.15 -1.88 -1.81 115.11 119.08 3hi4 h GLN 260 Ca 0.26 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3hi4 h GLN 260 Cb 0.03 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3hi4 h GLN 260 CO -0.04 1.00 -0.03 1.25 -1.93 0.00 0.00 178.83 179.07 3hi4 h LEU 261 N 1.09 0.66 -0.25 -2.39 5.85 -0.86 0.19 115.31 119.59 3hi4 h LEU 261 Ca 0.23 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3hi4 h LEU 261 Cb 0.35 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3hi4 h LEU 261 CO -0.00 0.83 -0.04 0.78 -0.34 0.00 0.00 178.44 179.67 3hi4 h ASN 262 N 0.47 -0.18 -0.49 1.25 2.35 -0.76 0.35 115.58 118.57 3hi4 h ASN 262 Ca 0.10 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3hi4 h ASN 262 Cb 0.52 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3hi4 h ASN 262 CO 0.03 -0.06 0.12 -0.33 -1.65 0.00 0.00 177.43 175.53 3hi4 h GLU 263 N 0.03 0.79 -0.42 0.81 5.08 -1.19 0.13 114.58 119.81 3hi4 h GLU 263 Ca 0.12 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3hi4 h GLU 263 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hi4 h GLU 263 CO -0.23 0.77 0.05 -0.44 -1.00 0.00 0.00 179.01 178.15 3hi4 h ASP 264 N 0.67 0.61 -0.17 1.42 3.32 -0.30 0.19 116.42 122.16 3hi4 h ASP 264 Ca 0.15 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3hi4 h ASP 264 Cb 0.34 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hi4 h ASP 264 CO 0.00 0.65 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.78 3hi4 h LEU 265 N 0.62 0.57 -0.55 1.55 3.38 0.06 -1.53 115.31 119.42 3hi4 h LEU 265 Ca 0.13 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3hi4 h LEU 265 Cb 0.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hi4 h LEU 265 CO 0.01 1.01 0.30 0.25 0.09 0.00 0.00 178.44 180.10 3hi4 h LEU 266 N 0.16 0.45 -0.81 1.67 5.85 -0.33 -1.63 115.31 120.67 3hi4 h LEU 266 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hi4 h LEU 266 Cb 0.91 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3hi4 h LEU 266 CO 0.07 0.31 0.39 0.00 -0.34 0.00 0.00 178.44 178.87 3hi4 h ALA 267 N 1.28 1.05 -0.39 1.25 0.00 -0.61 -1.83 119.26 120.01 3hi4 h ALA 267 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hi4 h ALA 267 Cb 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hi4 h ALA 267 CO -0.15 0.61 0.16 0.35 0.00 0.00 0.00 179.25 180.23 3hi4 h PHE 268 N 1.15 0.60 0.00 0.00 3.57 -1.01 -0.93 116.94 120.32 3hi4 h PHE 268 Ca 0.28 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3hi4 h PHE 268 Cb 0.12 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3hi4 h PHE 268 CO 0.01 0.53 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.39 3hi4 h LEU 269 N 0.49 0.00 0.00 0.59 3.38 -0.70 -2.62 115.31 116.45 3hi4 h LEU 269 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hi4 h LEU 269 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hi4 h LEU 269 CO -0.01 0.16 -0.99 0.29 0.09 0.00 0.00 178.44 177.98 3hi4 n LYS 270 N -3.65 0.55 0.00 1.13 5.02 -0.74 -5.11 118.16 115.35 3hi4 n LYS 270 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3hi4 n LYS 270 Cb 0.29 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3hi4 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77