#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx6 n ARG 3 N 0.00 -5.15 -1.34 2.98 1.74 -1.26 -4.93 116.66 108.70 1xx6 n ARG 3 Ca 0.00 0.67 -0.33 0.00 -0.77 0.00 0.00 57.85 57.42 1xx6 n ARG 3 Cb 0.00 -5.53 0.10 0.00 -1.02 0.00 0.00 32.46 26.01 1xx6 n ARG 3 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xx6 s PRO 4 N -6.22 2.06 0.30 5.56 0.04 -1.26 -4.89 135.00 130.58 1xx6 s PRO 4 Ca 0.51 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1xx6 s PRO 4 Cb -0.25 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1xx6 s PRO 4 CO 0.63 -1.87 1.16 1.17 0.04 0.00 0.00 177.00 178.13 1xx6 n LYS 5 N -2.99 1.68 -1.75 4.56 4.81 -1.26 -2.17 118.16 121.04 1xx6 n LYS 5 Ca 0.12 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 58.03 1xx6 n LYS 5 Cb 0.51 -2.07 -0.03 0.00 0.02 0.00 0.00 35.03 33.46 1xx6 n LYS 5 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xx6 n ASP 6 N 1.20 -4.17 -4.08 3.14 8.00 -1.26 -5.00 116.55 114.38 1xx6 n ASP 6 Ca 0.08 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.42 1xx6 n ASP 6 Cb 0.33 -3.03 -0.16 0.00 -0.02 0.00 0.00 41.12 38.24 1xx6 n ASP 6 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1xx6 s HIS 7 N -2.52 2.71 0.33 1.24 3.76 -0.92 -4.64 115.29 115.25 1xx6 s HIS 7 Ca 0.00 -1.68 0.07 0.00 -0.15 0.00 0.00 55.06 53.30 1xx6 s HIS 7 Cb 0.00 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 1xx6 s HIS 7 CO 0.00 -0.79 0.46 0.20 -0.85 0.00 0.00 174.74 173.76 1xx6 s GLY 8 N 1.31 1.59 0.26 -2.22 0.00 -1.22 -4.64 107.32 102.39 1xx6 s GLY 8 Ca 0.02 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.08 1xx6 s GLY 8 CO -0.11 -1.38 0.86 0.66 0.00 0.00 0.00 173.10 173.14 1xx6 s TRP 9 N -2.17 -0.04 -0.07 1.90 -2.14 -0.97 -4.80 118.94 110.65 1xx6 s TRP 9 Ca 0.44 -0.43 0.04 0.00 2.66 0.00 0.00 56.10 58.81 1xx6 s TRP 9 Cb -0.09 0.73 0.00 0.00 -3.10 0.00 0.00 33.47 31.00 1xx6 s TRP 9 CO 0.31 -1.16 -0.18 0.08 -2.66 0.00 0.00 176.95 173.34 1xx6 s VAL 10 N -2.99 1.56 -0.03 -0.66 1.01 -1.26 -1.46 120.40 116.57 1xx6 s VAL 10 Ca 0.15 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1xx6 s VAL 10 Cb -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1xx6 s VAL 10 CO 0.07 0.45 -0.23 -1.83 0.00 0.00 0.00 175.10 173.56 1xx6 s GLU 11 N 0.34 1.93 0.01 2.72 -1.05 0.06 -0.93 118.70 121.78 1xx6 s GLU 11 Ca -0.12 -0.81 0.08 0.00 -0.15 0.00 0.00 54.97 53.97 1xx6 s GLU 11 Cb -0.15 -1.81 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 1xx6 s GLU 11 CO 0.05 0.45 -0.24 0.14 0.95 0.00 0.00 175.26 176.62 1xx6 s VAL 12 N -0.43 1.90 -0.20 1.83 -7.23 0.67 -0.85 120.40 116.08 1xx6 s VAL 12 Ca 0.06 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1xx6 s VAL 12 Cb -0.10 -1.60 0.04 0.00 0.56 0.00 0.00 36.38 35.28 1xx6 s VAL 12 CO -0.00 0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.42 1xx6 s ILE 13 N -0.68 1.95 0.09 -0.62 1.01 0.69 -0.84 121.20 122.80 1xx6 s ILE 13 Ca 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1xx6 s ILE 13 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1xx6 s ILE 13 CO 0.01 0.28 -0.09 0.68 0.00 0.00 0.00 174.94 175.82 1xx6 s VAL 14 N 1.28 0.81 0.00 2.92 -7.23 -0.51 -1.55 120.40 116.12 1xx6 s VAL 14 Ca -0.00 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1xx6 s VAL 14 Cb -0.16 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1xx6 s VAL 14 CO -0.09 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.69 1xx6 n GLY 15 N 0.54 -0.05 0.00 2.32 0.00 -1.24 -0.48 105.19 106.28 1xx6 n GLY 15 Ca -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1xx6 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xx6 n PRO 16 N -0.70 0.00 0.00 1.61 -0.04 -1.26 -3.92 135.00 130.70 1xx6 n PRO 16 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xx6 n PRO 16 Cb 0.00 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 1xx6 n PRO 16 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xx6 n TYR 18 N -0.09 0.00 0.29 0.54 4.01 -1.26 -4.60 117.16 116.06 1xx6 n TYR 18 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1xx6 n TYR 18 Cb 0.00 -0.18 0.43 0.00 -0.31 0.00 0.00 39.34 39.28 1xx6 n TYR 18 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xx6 h SER 19 N 0.00 0.00 0.00 7.72 4.64 -1.90 -3.42 113.55 120.58 1xx6 h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xx6 h SER 19 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xx6 h SER 19 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1xx6 n GLY 20 N 0.60 1.59 0.17 -0.77 0.00 -1.26 -4.50 105.19 101.01 1xx6 n GLY 20 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1xx6 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx6 h LYS 21 N 0.00 0.50 -0.44 1.61 1.57 -1.90 -1.51 116.57 116.40 1xx6 h LYS 21 Ca 0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1xx6 h LYS 21 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1xx6 h LYS 21 CO 0.00 0.44 0.01 0.77 -0.57 0.00 0.00 179.45 180.10 1xx6 h SER 22 N 0.43 0.75 -0.45 0.86 0.02 -1.96 0.32 113.55 113.52 1xx6 h SER 22 Ca 0.12 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1xx6 h SER 22 Cb 0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1xx6 h SER 22 CO -0.02 0.87 0.26 -0.08 -1.14 0.00 0.00 176.83 176.72 1xx6 h GLU 23 N 0.61 0.50 -0.34 3.45 4.81 -1.89 0.67 114.58 122.38 1xx6 h GLU 23 Ca 0.12 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1xx6 h GLU 23 Cb 0.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1xx6 h GLU 23 CO 0.02 0.33 -0.22 1.49 -0.73 0.00 0.00 179.01 179.90 1xx6 h GLU 24 N 0.52 0.76 -0.56 1.92 4.57 -1.11 -1.31 114.58 119.36 1xx6 h GLU 24 Ca 0.18 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1xx6 h GLU 24 Cb 0.04 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1xx6 h GLU 24 CO -0.10 0.97 0.36 1.25 -1.18 0.00 0.00 179.01 180.31 1xx6 h LEU 25 N 0.53 0.60 -0.94 1.64 5.85 -0.64 -1.16 115.31 121.19 1xx6 h LEU 25 Ca 0.07 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xx6 h LEU 25 Cb 0.77 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1xx6 h LEU 25 CO 0.06 0.43 0.35 0.40 -0.34 0.00 0.00 178.44 179.34 1xx6 h ILE 26 N 0.72 1.25 -0.59 4.05 2.04 -0.76 -1.02 117.51 123.20 1xx6 h ILE 26 Ca 0.21 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1xx6 h ILE 26 Cb -0.04 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1xx6 h ILE 26 CO -0.07 0.30 0.38 -0.09 0.00 0.00 0.00 178.15 178.68 1xx6 h ARG 27 N 1.10 0.76 0.00 2.37 2.43 -0.35 -0.93 114.38 119.75 1xx6 h ARG 27 Ca 0.26 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 1xx6 h ARG 27 Cb 0.14 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1xx6 h ARG 27 CO -0.03 0.50 -0.56 0.00 -1.51 0.00 0.00 179.97 178.37 1xx6 h ARG 28 N 0.78 0.00 -0.18 0.20 3.08 -0.88 -2.18 114.38 115.20 1xx6 h ARG 28 Ca 0.22 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 1xx6 h ARG 28 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1xx6 h ARG 28 CO -0.06 0.56 -0.07 0.82 -1.07 0.00 0.00 179.97 180.16 1xx6 h ILE 29 N 0.00 1.30 -0.15 2.04 2.04 -0.70 -2.01 117.51 120.03 1xx6 h ILE 29 Ca -0.01 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1xx6 h ILE 29 Cb 1.03 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1xx6 h ILE 29 CO 0.07 0.32 -0.24 0.03 0.00 0.00 0.00 178.15 178.33 1xx6 h ARG 30 N 0.06 0.27 -0.37 2.37 3.08 -1.07 -2.33 114.38 116.40 1xx6 h ARG 30 Ca 0.04 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 1xx6 h ARG 30 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1xx6 h ARG 30 CO 0.02 0.51 -0.39 0.00 -1.07 0.00 0.00 179.97 179.04 1xx6 h ARG 31 N 0.25 0.91 -0.81 0.04 3.08 -1.32 -1.99 114.38 114.54 1xx6 h ARG 31 Ca 0.04 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.61 1xx6 h ARG 31 Cb 0.57 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1xx6 h ARG 31 CO 0.04 1.14 0.54 0.00 -1.07 0.00 0.00 179.97 180.62 1xx6 h ALA 32 N 0.76 1.02 -0.57 0.04 0.00 -1.06 0.06 119.26 119.51 1xx6 h ALA 32 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xx6 h ALA 32 Cb 0.98 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xx6 h ALA 32 CO 0.09 0.44 0.09 0.87 0.00 0.00 0.00 179.25 180.75 1xx6 h LYS 33 N 1.10 0.91 0.00 0.00 1.57 -1.27 -1.05 116.57 117.83 1xx6 h LYS 33 Ca 0.30 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1xx6 h LYS 33 Cb -0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1xx6 h LYS 33 CO -0.06 0.85 -0.38 0.82 -0.57 0.00 0.00 179.45 180.10 1xx6 h ILE 34 N 0.87 1.19 0.00 1.86 2.04 -0.65 -0.67 117.51 122.14 1xx6 h ILE 34 Ca 0.18 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1xx6 h ILE 34 Cb 0.38 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1xx6 h ILE 34 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1xx6 n ALA 35 N -2.43 2.50 -2.75 1.87 0.00 -0.06 -4.89 120.51 114.75 1xx6 n ALA 35 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1xx6 n ALA 35 Cb 0.43 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.44 1xx6 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xx6 n LYS 36 N -1.12 -3.24 -3.86 0.00 5.02 -0.26 -5.01 118.16 109.69 1xx6 n LYS 36 Ca 0.18 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.75 1xx6 n LYS 36 Cb 0.15 -4.91 -0.12 0.00 -0.02 0.00 0.00 35.03 30.14 1xx6 n LYS 36 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xx6 s GLN 37 N -5.29 3.75 0.19 1.97 -0.21 -0.73 -5.03 119.66 114.30 1xx6 s GLN 37 Ca 0.20 -0.44 -0.32 0.00 0.02 0.00 0.00 55.36 54.82 1xx6 s GLN 37 Cb -0.09 -3.29 -0.11 0.00 1.00 0.00 0.00 33.01 30.53 1xx6 s GLN 37 CO 0.24 -0.05 1.64 0.21 -2.12 0.00 0.00 175.29 175.22 1xx6 s LYS 38 N 1.24 4.17 0.03 2.91 2.20 -1.26 -4.34 119.74 124.69 1xx6 s LYS 38 Ca 0.05 2.48 0.02 0.00 -0.36 0.00 0.00 55.97 58.16 1xx6 s LYS 38 Cb -0.14 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1xx6 s LYS 38 CO 0.03 -0.68 -0.08 -1.50 -0.36 0.00 0.00 175.35 172.77 1xx6 s ILE 39 N 1.17 0.56 -0.07 5.43 2.07 -1.26 -0.36 121.20 128.75 1xx6 s ILE 39 Ca 0.72 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 59.21 1xx6 s ILE 39 Cb -0.47 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 1xx6 s ILE 39 CO 0.32 -0.18 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.82 1xx6 s GLN 40 N -1.08 2.66 -0.08 3.50 -0.21 -0.39 -4.99 119.66 119.09 1xx6 s GLN 40 Ca -0.05 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.45 1xx6 s GLN 40 Cb -0.07 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 1xx6 s GLN 40 CO 0.00 0.31 -0.06 0.08 -2.12 0.00 0.00 175.29 173.50 1xx6 s VAL 41 N 0.01 3.77 0.01 1.09 1.01 -1.26 -0.66 120.40 124.37 1xx6 s VAL 41 Ca -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1xx6 s VAL 41 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1xx6 s VAL 41 CO 0.05 0.59 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 1xx6 s PHE 42 N -0.67 1.11 0.03 5.22 0.08 0.20 -0.75 117.98 123.20 1xx6 s PHE 42 Ca 0.10 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 1xx6 s PHE 42 Cb -0.11 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1xx6 s PHE 42 CO 0.02 0.00 0.20 -1.59 -0.10 0.00 0.00 175.22 173.74 1xx6 s LYS 43 N -0.67 0.67 0.88 0.44 -2.85 -1.10 -0.86 119.74 116.26 1xx6 s LYS 43 Ca 0.03 -0.58 -0.12 0.00 -1.00 0.00 0.00 55.97 54.30 1xx6 s LYS 43 Cb -0.06 0.28 0.12 0.00 -2.06 0.00 0.00 37.83 36.11 1xx6 s LYS 43 CO 0.00 -0.19 1.14 -1.25 0.10 0.00 0.00 175.35 175.15 1xx6 s PRO 44 N -2.35 1.37 -0.63 1.78 0.04 -1.26 -0.19 135.00 133.76 1xx6 s PRO 44 Ca -0.07 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 1xx6 s PRO 44 Cb -0.02 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 1xx6 s PRO 44 CO -0.03 -2.05 2.46 0.39 0.04 0.00 0.00 177.00 177.82 1xx6 n GLU 45 N -3.67 0.69 -2.32 4.56 -0.58 -1.05 -4.55 120.64 113.73 1xx6 n GLU 45 Ca 0.07 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.82 1xx6 n GLU 45 Cb 0.59 -2.55 0.05 0.00 -0.57 0.00 0.00 31.44 28.96 1xx6 n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xx6 n GLU 53 N 8.64 2.02 -3.67 3.49 1.02 -1.26 -5.08 120.64 125.80 1xx6 n GLU 53 Ca 0.48 -3.49 -0.33 0.00 -0.02 0.00 0.00 57.16 53.80 1xx6 n GLU 53 Cb 0.29 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 1xx6 n GLU 53 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xx6 s ASP 54 N -3.50 6.54 -0.24 1.62 1.11 -1.26 -1.90 116.67 119.05 1xx6 s ASP 54 Ca 0.35 0.65 -0.21 0.00 0.18 0.00 0.00 52.55 53.51 1xx6 s ASP 54 Cb 0.36 -2.12 -0.02 0.00 1.07 0.00 0.00 42.92 42.21 1xx6 s ASP 54 CO -0.04 0.15 0.67 0.68 1.18 0.00 0.00 175.17 177.81 1xx6 s VAL 55 N -1.47 4.97 0.06 -1.27 -7.23 0.01 -4.91 120.40 110.56 1xx6 s VAL 55 Ca 0.35 1.23 0.09 0.00 -1.81 0.00 0.00 61.98 61.84 1xx6 s VAL 55 Cb -0.13 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 32.80 1xx6 s VAL 55 CO 0.20 0.03 -0.24 0.68 -0.31 0.00 0.00 175.10 175.46 1xx6 s VAL 56 N 2.40 2.33 -0.07 1.32 -7.23 -1.26 -1.43 120.40 116.46 1xx6 s VAL 56 Ca 0.29 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1xx6 s VAL 56 Cb -0.16 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1xx6 s VAL 56 CO 0.09 0.30 0.00 -0.55 -0.31 0.00 0.00 175.10 174.63 1xx6 s SER 57 N -1.48 5.23 0.00 4.85 0.15 -0.59 -4.90 113.70 116.96 1xx6 s SER 57 Ca 0.13 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1xx6 s SER 57 Cb -0.10 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1xx6 s SER 57 CO 0.04 0.36 0.09 1.41 1.20 0.00 0.00 173.24 176.34 1xx6 n HIS 58 N 2.02 0.00 -0.02 3.44 8.25 -1.26 -4.33 115.22 123.32 1xx6 n HIS 58 Ca -0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 1xx6 n HIS 58 Cb 0.53 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 1xx6 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xx6 n GLY 60 N 2.01 -0.36 3.48 -1.41 0.00 -1.26 -5.22 105.19 102.44 1xx6 n GLY 60 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1xx6 n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xx6 n GLU 61 N -3.23 -0.31 -3.64 1.61 -0.58 -1.26 -5.05 120.64 108.18 1xx6 n GLU 61 Ca -0.04 -0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 1xx6 n GLU 61 Cb 0.16 -1.99 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 1xx6 n GLU 61 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1xx6 s LYS 62 N -3.86 0.95 0.01 3.49 -2.85 -1.26 -1.54 119.74 114.68 1xx6 s LYS 62 Ca 0.60 -0.35 0.01 0.00 -1.00 0.00 0.00 55.97 55.23 1xx6 s LYS 62 Cb -0.22 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1xx6 s LYS 62 CO 0.65 -0.33 -0.05 -1.21 0.10 0.00 0.00 175.35 174.51 1xx6 s GLU 63 N -2.53 0.35 0.38 1.78 0.41 -0.51 -4.97 118.70 113.61 1xx6 s GLU 63 Ca -0.05 -0.35 -0.28 0.00 -0.41 0.00 0.00 54.97 53.88 1xx6 s GLU 63 Cb -0.01 -0.23 -0.10 0.00 -1.78 0.00 0.00 34.13 32.01 1xx6 s GLU 63 CO -0.03 0.05 1.41 -0.65 -0.49 0.00 0.00 175.26 175.56 1xx6 s GLN 64 N -0.65 4.10 0.15 1.61 -1.52 -1.26 -0.81 119.66 121.28 1xx6 s GLN 64 Ca -0.04 2.42 -0.11 0.00 -1.95 0.00 0.00 55.36 55.68 1xx6 s GLN 64 Cb -0.05 -2.93 0.01 0.00 -0.22 0.00 0.00 33.01 29.82 1xx6 s GLN 64 CO -0.00 -0.48 0.33 0.00 -0.25 0.00 0.00 175.29 174.88 1xx6 s ALA 65 N -1.15 -0.34 -0.32 6.09 0.00 -0.80 -4.65 121.76 120.59 1xx6 s ALA 65 Ca 0.53 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 1xx6 s ALA 65 Cb -0.44 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.46 1xx6 s ALA 65 CO 0.58 -0.65 0.12 0.08 0.00 0.00 0.00 175.76 175.90 1xx6 s VAL 66 N -3.91 4.16 0.27 0.00 1.01 0.07 -4.50 120.40 117.50 1xx6 s VAL 66 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1xx6 s VAL 66 Cb 0.03 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1xx6 s VAL 66 CO -0.04 -0.03 1.22 0.00 0.00 0.00 0.00 175.10 176.25 1xx6 s ALA 67 N 1.51 3.46 0.01 5.51 0.00 -1.26 -2.70 121.76 128.30 1xx6 s ALA 67 Ca 0.02 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1xx6 s ALA 67 Cb -0.18 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1xx6 s ALA 67 CO 0.04 -0.42 -0.04 0.96 0.00 0.00 0.00 175.76 176.29 1xx6 s ILE 68 N -0.76 0.32 0.15 0.00 -4.36 0.73 -4.92 121.20 112.37 1xx6 s ILE 68 Ca 0.49 -0.45 0.15 0.00 -0.26 0.00 0.00 60.65 60.58 1xx6 s ILE 68 Cb -0.36 -0.33 0.04 0.00 1.25 0.00 0.00 42.46 43.07 1xx6 s ILE 68 CO 0.44 -0.09 1.62 0.11 0.24 0.00 0.00 174.94 177.25 1xx6 h LYS 69 N 5.53 0.00 -3.31 0.37 1.57 -1.94 -2.78 116.57 116.02 1xx6 h LYS 69 Ca -0.29 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.42 1xx6 h LYS 69 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1xx6 h LYS 69 CO 0.47 0.53 0.13 0.54 -0.57 0.00 0.00 179.45 180.55 1xx6 s ASN 70 N -6.59 0.17 0.15 0.86 2.20 -1.26 -4.80 114.94 105.67 1xx6 s ASN 70 Ca 0.00 -1.14 -0.17 0.00 -0.94 0.00 0.00 52.86 50.61 1xx6 s ASN 70 Cb 0.11 0.77 -0.01 0.00 -2.00 0.00 0.00 41.25 40.13 1xx6 s ASN 70 CO 0.73 -1.52 1.80 0.28 -2.94 0.00 0.00 177.10 175.46 1xx6 h SER 71 N 2.04 0.41 -0.97 3.54 0.02 -1.92 -3.04 113.55 113.64 1xx6 h SER 71 Ca -0.29 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1xx6 h SER 71 Cb 1.25 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 1xx6 h SER 71 CO 0.37 0.30 0.61 0.03 -1.14 0.00 0.00 176.83 177.01 1xx6 h ARG 72 N 0.48 0.77 0.00 3.45 2.47 -1.97 -1.41 114.38 118.17 1xx6 h ARG 72 Ca 0.13 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1xx6 h ARG 72 Cb -0.05 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 1xx6 h ARG 72 CO -0.03 0.51 0.06 0.93 0.56 0.00 0.00 179.97 182.00 1xx6 h GLU 73 N 0.79 0.00 -0.02 0.04 5.08 -1.96 -2.05 114.58 116.47 1xx6 h GLU 73 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1xx6 h GLU 73 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xx6 h GLU 73 CO -0.28 0.00 0.01 0.82 -1.00 0.00 0.00 179.01 178.56 1xx6 h ILE 74 N 0.00 1.01 0.00 3.13 2.04 -1.41 -1.08 117.51 121.20 1xx6 h ILE 74 Ca 0.00 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1xx6 h ILE 74 Cb 0.12 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xx6 h ILE 74 CO 0.00 0.01 -0.16 -0.07 0.00 0.00 0.00 178.15 177.93 1xx6 h LEU 75 N 0.02 0.00 -0.16 1.44 3.38 -1.56 0.10 115.31 118.53 1xx6 h LEU 75 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1xx6 h LEU 75 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xx6 h LEU 75 CO -0.00 0.16 -0.73 0.50 0.09 0.00 0.00 178.44 178.46 1xx6 h LYS 76 N 0.00 0.78 0.00 1.13 3.64 -1.38 -3.18 116.57 117.56 1xx6 h LYS 76 Ca -0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1xx6 h LYS 76 Cb 0.35 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xx6 h LYS 76 CO 0.02 1.23 -0.43 0.66 -2.27 0.00 0.00 179.45 178.66 1xx6 n TYR 77 N -3.98 0.15 -1.86 1.91 4.01 -0.48 -4.92 117.16 112.00 1xx6 n TYR 77 Ca -0.07 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1xx6 n TYR 77 Cb 0.72 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1xx6 n TYR 77 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xx6 s PHE 78 N -3.04 2.99 -0.18 -0.72 5.36 0.32 -5.01 117.98 117.71 1xx6 s PHE 78 Ca 0.10 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.61 1xx6 s PHE 78 Cb 0.17 -4.01 -0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1xx6 s PHE 78 CO 0.67 -3.72 -0.12 -1.21 -1.46 0.00 0.00 175.22 169.38 1xx6 s GLU 79 N 1.02 3.25 0.43 10.12 2.02 -1.26 -4.98 118.70 129.30 1xx6 s GLU 79 Ca 0.71 -0.71 0.19 0.00 0.02 0.00 0.00 54.97 55.18 1xx6 s GLU 79 Cb -0.46 -2.74 1.04 0.00 0.10 0.00 0.00 34.13 32.07 1xx6 s GLU 79 CO 0.33 -0.07 1.53 0.93 0.02 0.00 0.00 175.26 177.99 1xx6 h GLU 80 N 7.62 0.00 -0.02 1.61 5.08 -1.99 0.55 114.58 127.43 1xx6 h GLU 80 Ca -0.37 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 1xx6 h GLU 80 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1xx6 h GLU 80 CO 0.59 0.00 -0.62 0.22 -1.00 0.00 0.00 179.01 178.20 1xx6 h ASP 81 N 0.00 0.07 -3.86 1.42 1.82 -2.00 -3.45 116.42 110.42 1xx6 h ASP 81 Ca 0.00 -0.04 -0.50 0.00 -0.39 0.00 0.00 57.03 56.09 1xx6 h ASP 81 Cb 0.57 -0.02 0.03 0.00 0.68 0.00 0.00 39.33 40.59 1xx6 h ASP 81 CO 0.00 0.67 0.49 0.42 -1.61 0.00 0.00 179.24 179.21 1xx6 s THR 82 N -3.64 3.36 -0.17 2.25 -4.23 0.18 -4.77 115.64 108.62 1xx6 s THR 82 Ca -0.02 1.29 0.18 0.00 -1.18 0.00 0.00 61.69 61.96 1xx6 s THR 82 Cb 0.12 -3.79 -0.26 0.00 1.34 0.00 0.00 72.50 69.92 1xx6 s THR 82 CO 0.77 0.25 0.17 -0.62 -0.54 0.00 0.00 174.62 174.65 1xx6 n GLU 83 N 0.81 0.68 -4.56 3.99 -0.58 0.52 -4.95 120.64 116.55 1xx6 n GLU 83 Ca 0.01 -0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1xx6 n GLU 83 Cb 0.45 -1.54 -0.16 0.00 -0.57 0.00 0.00 31.44 29.62 1xx6 n GLU 83 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xx6 s VAL 84 N -2.63 1.07 -0.16 2.62 1.01 -0.58 -1.78 120.40 119.95 1xx6 s VAL 84 Ca -0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xx6 s VAL 84 Cb 0.07 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1xx6 s VAL 84 CO 0.84 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 175.53 1xx6 s ILE 85 N 0.52 3.00 -0.12 2.22 -1.09 -0.22 -1.26 121.20 124.26 1xx6 s ILE 85 Ca -0.11 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1xx6 s ILE 85 Cb -0.14 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 1xx6 s ILE 85 CO 0.03 0.50 -0.18 0.00 -1.23 0.00 0.00 174.94 174.06 1xx6 s ALA 86 N 0.81 2.43 -0.10 9.38 0.00 0.16 -0.50 121.76 133.94 1xx6 s ALA 86 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1xx6 s ALA 86 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1xx6 s ALA 86 CO 0.01 0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.33 1xx6 s ILE 87 N 0.34 1.31 0.36 0.00 1.01 0.54 0.58 121.20 125.34 1xx6 s ILE 87 Ca -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1xx6 s ILE 87 Cb -0.17 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1xx6 s ILE 87 CO 0.07 0.40 0.43 -0.62 0.00 0.00 0.00 174.94 175.23 1xx6 s ASP 88 N 1.03 5.65 -1.59 3.58 2.15 -0.04 -1.28 116.67 126.17 1xx6 s ASP 88 Ca -0.07 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 52.47 1xx6 s ASP 88 Cb -0.15 -0.99 0.07 0.00 -0.30 0.00 0.00 42.92 41.55 1xx6 s ASP 88 CO -0.01 -0.50 0.41 -0.62 -0.17 0.00 0.00 175.17 174.28 1xx6 n GLU 89 N -1.60 -2.22 0.25 4.34 1.02 -0.89 -4.49 120.64 117.05 1xx6 n GLU 89 Ca 0.01 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 1xx6 n GLU 89 Cb 0.59 -4.42 0.78 0.00 -0.02 0.00 0.00 31.44 28.37 1xx6 n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xx6 h VAL 90 N -1.60 0.73 0.00 2.62 2.07 -1.34 -2.82 116.25 115.90 1xx6 h VAL 90 Ca -0.63 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1xx6 h VAL 90 Cb 1.39 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1xx6 h VAL 90 CO 0.73 0.00 0.09 0.00 0.02 0.00 0.00 177.57 178.41 1xx6 n GLN 91 N -4.16 0.13 0.08 1.57 0.00 -1.26 -1.66 117.38 112.07 1xx6 n GLN 91 Ca -0.02 0.62 0.12 0.00 0.00 0.00 0.00 57.00 57.72 1xx6 n GLN 91 Cb 0.15 -2.01 0.03 0.00 0.00 0.00 0.00 30.24 28.41 1xx6 n GLN 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xx6 n PHE 92 N -2.20 0.72 -2.15 2.61 3.72 -1.06 -4.48 117.46 114.62 1xx6 n PHE 92 Ca -0.01 0.21 -0.32 0.00 -0.05 0.00 0.00 57.45 57.27 1xx6 n PHE 92 Cb 0.12 -0.79 -0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1xx6 n PHE 92 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1xx6 s PHE 93 N -3.31 3.14 1.01 1.38 0.08 -0.67 -5.04 117.98 114.57 1xx6 s PHE 93 Ca 0.01 1.49 -0.13 0.00 0.12 0.00 0.00 56.93 58.42 1xx6 s PHE 93 Cb 0.11 -2.94 0.20 0.00 -0.57 0.00 0.00 43.02 39.82 1xx6 s PHE 93 CO 0.79 -0.88 1.11 0.16 -0.10 0.00 0.00 175.22 176.29 1xx6 s ASP 94 N -2.89 2.52 0.25 1.36 1.47 -1.26 -4.49 116.67 113.63 1xx6 s ASP 94 Ca 0.62 1.02 0.19 0.00 1.18 0.00 0.00 52.55 55.56 1xx6 s ASP 94 Cb -0.14 -1.60 0.94 0.00 -0.34 0.00 0.00 42.92 41.78 1xx6 s ASP 94 CO 0.35 -3.17 1.58 0.47 0.68 0.00 0.00 175.17 175.08 1xx6 n ASP 95 N -4.18 0.49 0.28 2.11 8.00 -1.26 -2.51 116.55 119.47 1xx6 n ASP 95 Ca 0.07 0.69 0.16 0.00 0.71 0.00 0.00 54.79 56.42 1xx6 n ASP 95 Cb 0.58 -0.77 0.76 0.00 -0.02 0.00 0.00 41.12 41.67 1xx6 n ASP 95 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1xx6 h GLU 96 N 0.00 0.00 -0.09 -1.24 5.08 -2.01 -2.47 114.58 113.86 1xx6 h GLU 96 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1xx6 h GLU 96 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xx6 h GLU 96 CO 0.00 0.07 0.09 0.97 -1.00 0.00 0.00 179.01 179.14 1xx6 h ILE 97 N 0.00 0.56 0.20 3.13 2.10 -1.85 -1.91 117.51 119.74 1xx6 h ILE 97 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1xx6 h ILE 97 Cb 0.41 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1xx6 h ILE 97 CO 0.01 0.00 -0.09 0.58 -1.08 0.00 0.00 178.15 177.56 1xx6 h VAL 98 N 0.00 0.89 -0.70 2.19 2.07 -1.69 0.12 116.25 119.13 1xx6 h VAL 98 Ca 0.04 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1xx6 h VAL 98 Cb 0.22 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1xx6 h VAL 98 CO -0.00 0.12 0.16 -0.08 0.02 0.00 0.00 177.57 177.79 1xx6 h GLU 99 N -0.52 1.13 -0.39 1.57 4.81 -1.65 -0.52 114.58 119.02 1xx6 h GLU 99 Ca -0.03 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1xx6 h GLU 99 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1xx6 h GLU 99 CO 0.04 1.00 0.23 0.82 -0.73 0.00 0.00 179.01 180.38 1xx6 h ILE 100 N 1.06 1.04 -0.52 2.32 2.04 -1.25 0.13 117.51 122.34 1xx6 h ILE 100 Ca 0.22 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 1xx6 h ILE 100 Cb 0.39 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1xx6 h ILE 100 CO 0.00 0.08 -0.02 0.58 0.00 0.00 0.00 178.15 178.80 1xx6 h VAL 101 N 0.46 1.26 -0.74 1.67 2.07 -0.58 -2.10 116.25 118.30 1xx6 h VAL 101 Ca 0.15 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1xx6 h VAL 101 Cb 0.00 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1xx6 h VAL 101 CO -0.07 0.40 0.31 -1.13 0.02 0.00 0.00 177.57 177.09 1xx6 h ASN 102 N 0.79 1.01 -0.67 0.57 -0.73 -0.68 -1.97 115.58 113.89 1xx6 h ASN 102 Ca 0.14 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1xx6 h ASN 102 Cb 0.55 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 1xx6 h ASN 102 CO 0.03 0.89 0.23 0.11 -0.37 0.00 0.00 177.43 178.32 1xx6 h LYS 103 N 1.08 1.02 -0.62 6.67 1.79 -0.53 0.21 116.57 126.19 1xx6 h LYS 103 Ca 0.25 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1xx6 h LYS 103 Cb 0.19 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1xx6 h LYS 103 CO -0.02 0.87 0.09 0.82 -1.08 0.00 0.00 179.45 180.13 1xx6 h ILE 104 N 0.96 1.26 -0.55 1.86 2.04 -1.01 -0.92 117.51 121.15 1xx6 h ILE 104 Ca 0.22 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1xx6 h ILE 104 Cb 0.26 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1xx6 h ILE 104 CO -0.01 0.38 0.07 0.00 0.00 0.00 0.00 178.15 178.59 1xx6 h ALA 105 N 1.02 0.73 0.00 1.87 0.00 -1.08 -2.24 119.26 119.57 1xx6 h ALA 105 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1xx6 h ALA 105 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xx6 h ALA 105 CO 0.01 0.49 -0.22 1.49 0.00 0.00 0.00 179.25 181.02 1xx6 h GLU 106 N 0.80 0.00 0.00 0.00 4.57 -0.70 -0.88 114.58 118.37 1xx6 h GLU 106 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1xx6 h GLU 106 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1xx6 h GLU 106 CO 0.01 0.22 0.00 -1.13 -1.18 0.00 0.00 179.01 176.93 1xx6 n SER 107 N -3.92 0.00 0.00 1.04 3.41 -0.37 -4.85 113.62 108.93 1xx6 n SER 107 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1xx6 n SER 107 Cb 0.30 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1xx6 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xx6 n GLY 108 N 0.44 1.01 3.66 5.00 0.00 -0.34 -4.92 105.19 110.03 1xx6 n GLY 108 Ca 0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1xx6 n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx6 s ARG 109 N -0.17 2.10 -0.17 1.61 0.52 -1.07 -3.89 118.95 117.88 1xx6 s ARG 109 Ca 0.00 -1.83 -0.09 0.00 -0.52 0.00 0.00 55.73 53.29 1xx6 s ARG 109 Cb 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 1xx6 s ARG 109 CO 0.00 0.04 0.14 0.50 0.02 0.00 0.00 175.30 175.99 1xx6 s ARG 110 N -3.77 3.89 -0.12 3.54 3.52 -0.74 -2.28 118.95 123.00 1xx6 s ARG 110 Ca 0.37 -0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 1xx6 s ARG 110 Cb 0.03 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1xx6 s ARG 110 CO 0.20 0.49 -0.20 0.08 -0.81 0.00 0.00 175.30 175.06 1xx6 s VAL 111 N -0.20 1.88 -0.25 7.11 1.01 -0.54 -1.05 120.40 128.36 1xx6 s VAL 111 Ca 0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1xx6 s VAL 111 Cb -0.11 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1xx6 s VAL 111 CO 0.00 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 1xx6 s ILE 112 N 0.72 3.15 -0.07 2.22 1.01 0.34 -0.76 121.20 127.80 1xx6 s ILE 112 Ca -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1xx6 s ILE 112 Cb -0.16 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1xx6 s ILE 112 CO 0.01 0.22 -0.12 0.00 0.00 0.00 0.00 174.94 175.05 1xx6 s ALA 114 N -0.57 1.10 0.00 0.00 0.00 -0.40 -0.22 121.76 121.66 1xx6 s ALA 114 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1xx6 s ALA 114 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1xx6 s ALA 114 CO 0.01 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1xx6 n GLY 115 N 3.02 1.03 3.78 0.00 0.00 -0.59 -1.05 105.19 111.37 1xx6 n GLY 115 Ca -0.16 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1xx6 n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xx6 s LEU 116 N 0.00 4.30 0.00 0.99 1.43 -1.26 -3.59 118.68 120.55 1xx6 s LEU 116 Ca 0.00 2.98 0.28 0.00 -1.03 0.00 0.00 54.13 56.36 1xx6 s LEU 116 Cb 0.00 -3.71 0.99 0.00 0.03 0.00 0.00 46.19 43.50 1xx6 s LEU 116 CO 0.00 -0.88 1.71 -0.90 0.23 0.00 0.00 176.35 176.51 1xx6 n ASP 117 N 0.39 1.41 -3.48 2.29 5.75 -1.25 -4.70 116.55 116.96 1xx6 n ASP 117 Ca 0.02 -1.38 -0.18 0.00 -0.01 0.00 0.00 54.79 53.24 1xx6 n ASP 117 Cb 0.40 0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 1xx6 n ASP 117 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1xx6 n ASP 119 N 0.02 2.71 0.32 -1.12 5.68 -0.19 -0.77 116.55 123.20 1xx6 n ASP 119 Ca 0.18 -2.21 0.22 0.00 -0.50 0.00 0.00 54.79 52.47 1xx6 n ASP 119 Cb 0.35 0.18 1.11 0.00 -1.14 0.00 0.00 41.12 41.63 1xx6 n ASP 119 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1xx6 h PHE 120 N 1.10 0.00 -0.00 2.11 -0.00 -1.91 0.63 116.94 118.86 1xx6 h PHE 120 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 1xx6 h PHE 120 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 1xx6 h PHE 120 CO 0.00 0.00 -0.21 0.54 -0.00 0.00 0.00 178.31 178.64 1xx6 n ARG 121 N -3.05 0.24 -0.71 6.09 1.74 -1.26 -4.69 116.66 115.03 1xx6 n ARG 121 Ca -0.02 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1xx6 n ARG 121 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1xx6 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xx6 n GLY 122 N 1.43 0.59 3.88 -0.13 0.00 0.21 -5.01 105.19 106.16 1xx6 n GLY 122 Ca 0.09 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1xx6 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx6 s LYS 123 N -0.98 3.62 -0.13 1.61 -0.14 -1.26 -4.79 119.74 117.67 1xx6 s LYS 123 Ca 0.00 -0.01 -0.39 0.00 -1.36 0.00 0.00 55.97 54.21 1xx6 s LYS 123 Cb 0.00 -3.09 -0.16 0.00 -1.68 0.00 0.00 37.83 32.90 1xx6 s LYS 123 CO 0.00 0.65 1.58 -2.30 -0.76 0.00 0.00 175.35 174.52 1xx6 n PRO 124 N 1.22 1.13 -3.39 -1.68 -0.02 -1.26 -1.03 135.00 129.97 1xx6 n PRO 124 Ca -0.12 0.41 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 1xx6 n PRO 124 Cb 0.53 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1xx6 n PRO 124 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xx6 s PHE 125 N 2.29 3.22 0.00 6.00 2.19 0.05 -4.79 117.98 126.95 1xx6 s PHE 125 Ca 0.93 0.21 0.00 0.00 0.33 0.00 0.00 56.93 58.40 1xx6 s PHE 125 Cb -1.03 -2.63 0.00 0.00 -1.31 0.00 0.00 43.02 38.06 1xx6 s PHE 125 CO 0.58 -0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.72 1xx6 n GLY 126 N 4.82 2.79 0.14 13.12 0.00 -1.26 -3.26 105.19 121.55 1xx6 n GLY 126 Ca -0.09 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.87 1xx6 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xx6 h PRO 127 N 0.00 0.00 -0.96 1.61 0.13 -1.81 -3.38 132.00 127.58 1xx6 h PRO 127 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.39 1xx6 h PRO 127 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 1xx6 h PRO 127 CO 0.00 0.53 0.02 0.82 -0.23 0.00 0.00 178.00 179.14 1xx6 h ILE 128 N 0.00 0.06 -0.36 -3.56 1.08 -1.84 -0.72 117.51 112.17 1xx6 h ILE 128 Ca -0.01 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 1xx6 h ILE 128 Cb 1.27 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 1xx6 h ILE 128 CO 0.07 0.00 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.88 1xx6 h PRO 129 N 0.02 0.09 -0.47 2.37 0.11 -1.76 -2.25 132.00 130.11 1xx6 h PRO 129 Ca 0.58 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.56 1xx6 h PRO 129 Cb 1.16 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1xx6 h PRO 129 CO -0.89 0.06 -0.18 0.93 -0.21 0.00 0.00 178.00 177.70 1xx6 h GLU 130 N 0.09 0.92 -1.81 1.05 3.07 -1.47 -2.73 114.58 113.69 1xx6 h GLU 130 Ca 0.17 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1xx6 h GLU 130 Cb 0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1xx6 h GLU 130 CO -0.30 1.02 0.00 1.28 -1.40 0.00 0.00 179.01 179.61 1xx6 n LEU 131 N -4.12 0.61 0.00 1.33 4.77 -0.42 -2.35 117.00 116.82 1xx6 n LEU 131 Ca 0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1xx6 n LEU 131 Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1xx6 n LEU 131 CO 0.45 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 1xx6 n ALA 133 N 0.94 0.00 0.36 -1.18 0.00 -1.03 -1.20 120.51 118.40 1xx6 n ALA 133 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1xx6 n ALA 133 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1xx6 n ALA 133 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1xx6 n ILE 134 N 0.00 0.26 -2.38 0.00 -6.64 -0.99 -4.97 119.36 104.64 1xx6 n ILE 134 Ca 0.00 -0.36 -0.37 0.00 -1.77 0.00 0.00 62.75 60.24 1xx6 n ILE 134 Cb 0.00 0.03 -0.03 0.00 -1.44 0.00 0.00 39.64 38.20 1xx6 n ILE 134 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xx6 s ALA 135 N -3.29 3.10 0.19 -1.28 0.00 -0.34 -4.87 121.76 115.27 1xx6 s ALA 135 Ca 0.01 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1xx6 s ALA 135 Cb 0.13 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1xx6 s ALA 135 CO 0.81 -0.43 1.44 0.93 0.00 0.00 0.00 175.76 178.52 1xx6 h GLU 136 N 2.52 0.13 -4.79 0.00 3.07 -1.38 -3.44 114.58 110.69 1xx6 h GLU 136 Ca -0.49 -0.13 -0.56 0.00 -0.50 0.00 0.00 59.36 57.68 1xx6 h GLU 136 Cb 1.23 0.03 -0.33 0.00 -0.84 0.00 0.00 28.75 28.84 1xx6 h GLU 136 CO 0.62 0.85 -0.83 -0.06 -1.40 0.00 0.00 179.01 178.19 1xx6 s PHE 137 N -3.31 1.79 -0.11 4.33 0.08 -1.00 -5.04 117.98 114.73 1xx6 s PHE 137 Ca -0.02 -0.69 -0.01 0.00 0.12 0.00 0.00 56.93 56.33 1xx6 s PHE 137 Cb 0.11 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1xx6 s PHE 137 CO 0.81 -0.32 -0.05 0.08 -0.10 0.00 0.00 175.22 175.64 1xx6 s VAL 138 N 0.56 0.85 -0.27 -0.44 1.01 -1.26 -0.24 120.40 120.62 1xx6 s VAL 138 Ca -0.16 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1xx6 s VAL 138 Cb -0.16 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.34 1xx6 s VAL 138 CO 0.05 0.31 -0.08 -1.81 0.00 0.00 0.00 175.10 173.58 1xx6 s ASP 139 N 1.78 4.57 -0.31 3.32 1.01 -0.02 -4.99 116.67 122.03 1xx6 s ASP 139 Ca 0.05 -1.36 -0.14 0.00 0.71 0.00 0.00 52.55 51.81 1xx6 s ASP 139 Cb -0.13 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 1xx6 s ASP 139 CO -0.07 -0.21 0.32 -0.75 0.21 0.00 0.00 175.17 174.67 1xx6 s LYS 140 N 1.14 3.77 0.18 8.23 2.20 -1.26 -1.43 119.74 132.57 1xx6 s LYS 140 Ca -0.08 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.32 1xx6 s LYS 140 Cb -0.20 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1xx6 s LYS 140 CO -0.04 -0.38 0.02 0.96 -0.36 0.00 0.00 175.35 175.55 1xx6 s ILE 141 N 1.96 3.81 0.19 5.43 -4.36 0.37 -4.98 121.20 123.61 1xx6 s ILE 141 Ca 0.11 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.19 1xx6 s ILE 141 Cb -0.16 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1xx6 s ILE 141 CO 0.11 -0.12 -0.04 -1.10 0.24 0.00 0.00 174.94 174.03 1xx6 s GLN 142 N -2.99 2.25 0.00 0.37 -0.21 -1.26 -4.30 119.66 113.52 1xx6 s GLN 142 Ca 0.28 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1xx6 s GLN 142 Cb -0.09 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1xx6 s GLN 142 CO 0.19 0.43 0.00 0.00 -2.12 0.00 0.00 175.29 173.80 1xx6 n ALA 143 N -0.17 0.00 -2.95 6.09 0.00 0.09 -4.68 120.51 118.89 1xx6 n ALA 143 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1xx6 n ALA 143 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 1xx6 n ALA 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xx6 s ILE 144 N 0.97 3.10 -0.06 0.00 -1.09 -1.26 0.99 121.20 123.85 1xx6 s ILE 144 Ca 0.00 -0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 1xx6 s ILE 144 Cb 0.00 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 1xx6 s ILE 144 CO 0.00 0.54 1.61 0.00 -1.23 0.00 0.00 174.94 175.85 1xx6 n VAL 146 N 5.41 0.69 -0.11 0.00 0.24 -1.03 -1.21 118.33 122.32 1xx6 n VAL 146 Ca 0.17 0.17 -0.25 0.00 -2.04 0.00 0.00 64.34 62.39 1xx6 n VAL 146 Cb 0.43 -0.95 -0.11 0.00 -1.47 0.00 0.00 33.84 31.74 1xx6 n VAL 146 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1xx6 n VAL 147 N -1.32 1.55 -0.09 3.34 0.31 -1.26 -4.81 118.33 116.06 1xx6 n VAL 147 Ca 0.06 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1xx6 n VAL 147 Cb 0.11 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1xx6 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xx6 n GLY 149 N 0.47 2.05 3.79 0.00 0.00 -0.35 -5.01 105.19 106.14 1xx6 n GLY 149 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xx6 n GLY 149 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xx6 s ASN 150 N -2.49 3.45 0.26 1.61 0.02 -1.26 -4.52 114.94 112.00 1xx6 s ASN 150 Ca 0.00 0.91 -0.31 0.00 -1.02 0.00 0.00 52.86 52.44 1xx6 s ASN 150 Cb 0.00 -1.45 -0.12 0.00 0.02 0.00 0.00 41.25 39.70 1xx6 s ASN 150 CO 0.00 -2.58 1.63 -2.65 0.02 0.00 0.00 177.10 173.52 1xx6 n PRO 151 N -3.78 2.68 -3.62 -0.60 -0.02 -1.26 -0.61 135.00 127.79 1xx6 n PRO 151 Ca 0.07 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 62.14 1xx6 n PRO 151 Cb 0.59 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1xx6 n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xx6 s ALA 152 N 0.42 3.70 0.00 3.55 0.00 0.28 -4.34 121.76 125.37 1xx6 s ALA 152 Ca 0.68 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1xx6 s ALA 152 Cb -0.51 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1xx6 s ALA 152 CO 0.43 0.34 0.39 0.25 0.00 0.00 0.00 175.76 177.17 1xx6 n THR 153 N 2.65 0.09 -4.22 0.00 -2.24 -0.25 -0.73 114.28 109.57 1xx6 n THR 153 Ca -0.15 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1xx6 n THR 153 Cb 0.53 1.27 -0.12 0.00 -2.10 0.00 0.00 70.33 69.91 1xx6 n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xx6 s ARG 154 N -0.09 0.96 -0.26 -0.78 1.81 0.41 -4.39 118.95 116.60 1xx6 s ARG 154 Ca 0.00 -1.09 -0.10 0.00 -1.72 0.00 0.00 55.73 52.82 1xx6 s ARG 154 Cb 0.00 -0.99 -0.04 0.00 -0.45 0.00 0.00 34.95 33.46 1xx6 s ARG 154 CO 0.00 0.22 0.14 0.99 -0.68 0.00 0.00 175.30 175.97 1xx6 s THR 155 N -1.49 4.98 -0.21 0.02 2.01 -1.26 -0.33 115.64 119.36 1xx6 s THR 155 Ca 0.03 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1xx6 s THR 155 Cb -0.09 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1xx6 s THR 155 CO 0.03 0.31 0.27 -1.58 -0.69 0.00 0.00 174.62 172.96 1xx6 s GLN 156 N 1.51 4.16 -0.14 4.92 2.00 0.17 -4.36 119.66 127.91 1xx6 s GLN 156 Ca 0.07 -0.01 -0.11 0.00 -2.00 0.00 0.00 55.36 53.31 1xx6 s GLN 156 Cb -0.15 -3.51 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 1xx6 s GLN 156 CO 0.07 0.07 0.21 0.50 -0.50 0.00 0.00 175.29 175.64 1xx6 s ARG 157 N 0.99 3.94 -0.01 1.67 3.52 -1.26 -1.51 118.95 126.29 1xx6 s ARG 157 Ca 0.14 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.75 1xx6 s ARG 157 Cb -0.14 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1xx6 s ARG 157 CO 0.05 0.48 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.35 1xx6 s LEU 158 N -0.21 2.04 -0.13 -0.88 1.43 0.12 -2.77 118.68 118.27 1xx6 s LEU 158 Ca 0.14 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xx6 s LEU 158 Cb -0.12 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.31 1xx6 s LEU 158 CO 0.03 0.19 -0.11 -0.63 0.23 0.00 0.00 176.35 176.06 1xx6 s ILE 159 N -0.41 1.29 -1.62 -0.59 1.01 0.85 -0.25 121.20 121.49 1xx6 s ILE 159 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1xx6 s ILE 159 Cb -0.06 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1xx6 s ILE 159 CO -0.00 0.41 0.00 0.59 0.00 0.00 0.00 174.94 175.94 1xx6 n ASN 160 N 4.86 -5.03 0.00 3.58 5.03 -1.26 -1.39 115.26 121.05 1xx6 n ASN 160 Ca -0.15 0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1xx6 n ASN 160 Cb 0.50 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 35.39 1xx6 n ASN 160 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xx6 n GLY 161 N -0.85 0.72 3.32 7.41 0.00 -1.26 -5.05 105.19 109.48 1xx6 n GLY 161 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1xx6 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx6 s LYS 162 N -0.38 1.26 0.22 1.61 1.02 -0.49 -5.04 119.74 117.95 1xx6 s LYS 162 Ca 0.00 -1.20 -0.32 0.00 0.02 0.00 0.00 55.97 54.47 1xx6 s LYS 162 Cb 0.00 -1.59 -0.13 0.00 -0.52 0.00 0.00 37.83 35.59 1xx6 s LYS 162 CO 0.00 0.38 1.58 -0.35 -0.92 0.00 0.00 175.35 176.04 1xx6 n PRO 163 N 1.13 2.41 -2.02 -1.68 -0.04 -1.26 -0.10 135.00 133.43 1xx6 n PRO 163 Ca -0.19 0.86 -0.33 0.00 -0.04 0.00 0.00 63.50 63.81 1xx6 n PRO 163 Cb 0.53 -2.63 0.02 0.00 -0.04 0.00 0.00 33.50 31.38 1xx6 n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xx6 s ALA 164 N 0.57 2.69 0.66 0.55 0.00 -1.12 -4.80 121.76 120.32 1xx6 s ALA 164 Ca 0.72 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 1xx6 s ALA 164 Cb -0.59 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 1xx6 s ALA 164 CO 0.41 -0.87 1.05 -0.06 0.00 0.00 0.00 175.76 176.29 1xx6 s PHE 165 N -2.39 3.43 0.06 0.00 0.40 -1.26 -3.96 117.98 114.26 1xx6 s PHE 165 Ca 0.65 1.25 -0.37 0.00 -0.60 0.00 0.00 56.93 57.86 1xx6 s PHE 165 Cb -0.17 -2.85 -0.20 0.00 0.51 0.00 0.00 43.02 40.31 1xx6 s PHE 165 CO 0.37 -0.96 1.56 -0.92 0.70 0.00 0.00 175.22 175.96 1xx6 h TYR 166 N -0.51 -1.28 -0.03 0.36 3.20 -1.38 -3.00 116.97 114.34 1xx6 h TYR 166 Ca -0.44 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.32 1xx6 h TYR 166 Cb 1.21 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.89 1xx6 h TYR 166 CO 0.61 -0.75 -0.14 -0.25 -1.64 0.00 0.00 178.16 175.99 1xx6 n ASP 167 N -5.57 5.35 -4.37 -2.11 9.92 -1.26 -4.82 116.55 113.68 1xx6 n ASP 167 Ca -0.16 -2.46 -0.39 0.00 -0.53 0.00 0.00 54.79 51.25 1xx6 n ASP 167 Cb 0.51 -1.25 -0.12 0.00 -0.64 0.00 0.00 41.12 39.63 1xx6 n ASP 167 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xx6 s ASP 168 N 1.94 5.44 0.67 -2.24 -1.08 -1.14 -5.10 116.67 115.16 1xx6 s ASP 168 Ca 0.29 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 1xx6 s ASP 168 Cb 0.14 -1.95 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1xx6 s ASP 168 CO -0.00 -0.27 0.00 -2.65 0.52 0.00 0.00 175.17 172.77 1xx6 n PRO 169 N 4.93 -0.77 -5.25 4.34 -0.02 -1.26 -4.97 135.00 131.99 1xx6 n PRO 169 Ca -0.13 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.04 1xx6 n PRO 169 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.79 1xx6 n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xx6 s VAL 170 N -0.67 2.03 0.00 -1.45 -7.23 -1.26 -5.12 120.40 106.70 1xx6 s VAL 170 Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1xx6 s VAL 170 Cb 0.00 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1xx6 s VAL 170 CO 0.00 0.56 0.00 1.21 -0.31 0.00 0.00 175.10 176.56 1xx6 n GLU 177 N 2.94 0.00 -4.23 4.82 2.13 -1.26 -5.32 120.64 119.72 1xx6 n GLU 177 Ca -0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.52 1xx6 n GLU 177 Cb 0.52 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.13 1xx6 n GLU 177 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1xx6 s SER 178 N 0.00 0.50 0.05 4.31 1.04 0.66 -4.96 113.70 115.30 1xx6 s SER 178 Ca 0.00 -1.36 0.04 0.00 0.48 0.00 0.00 55.95 55.11 1xx6 s SER 178 Cb 0.00 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 1xx6 s SER 178 CO 0.00 -0.79 -0.11 -0.31 0.98 0.00 0.00 173.24 173.01 1xx6 s TYR 179 N -4.02 0.99 -0.01 5.02 2.02 -1.26 0.10 117.35 120.20 1xx6 s TYR 179 Ca 0.37 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.34 1xx6 s TYR 179 Cb 0.07 -0.57 0.08 0.00 -0.40 0.00 0.00 41.96 41.14 1xx6 s TYR 179 CO 0.11 0.00 0.70 -1.83 -1.57 0.00 0.00 175.55 172.96 1xx6 s GLU 180 N -1.51 1.06 0.11 -0.62 -1.05 -0.57 -4.98 118.70 111.14 1xx6 s GLU 180 Ca -0.04 0.05 -0.24 0.00 -0.15 0.00 0.00 54.97 54.59 1xx6 s GLU 180 Cb -0.09 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 34.02 1xx6 s GLU 180 CO 0.01 -0.37 0.73 0.00 0.95 0.00 0.00 175.26 176.58 1xx6 s ALA 181 N -1.88 3.45 0.09 -0.84 0.00 -1.26 0.43 121.76 121.74 1xx6 s ALA 181 Ca -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1xx6 s ALA 181 Cb -0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1xx6 s ALA 181 CO 0.03 0.24 -0.00 1.03 0.00 0.00 0.00 175.76 177.06 1xx6 s ARG 182 N -0.80 0.76 0.77 0.00 0.52 0.55 -2.45 118.95 118.29 1xx6 s ARG 182 Ca 0.35 -1.32 -0.07 0.00 -0.52 0.00 0.00 55.73 54.17 1xx6 s ARG 182 Cb -0.22 0.17 0.11 0.00 0.52 0.00 0.00 34.95 35.54 1xx6 s ARG 182 CO 0.24 -0.16 1.08 0.00 0.02 0.00 0.00 175.30 176.48 1xx6 h ARG 184 N -0.82 1.24 -0.15 0.00 2.43 -1.94 -0.75 114.38 114.40 1xx6 h ARG 184 Ca -0.42 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1xx6 h ARG 184 Cb 1.28 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1xx6 h ARG 184 CO 0.48 0.82 0.06 -0.22 -1.51 0.00 0.00 179.97 179.60 1xx6 h LYS 185 N 1.28 0.22 0.00 0.20 3.64 -1.97 -3.21 116.57 116.72 1xx6 h LYS 185 Ca 0.37 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1xx6 h LYS 185 Cb -0.09 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xx6 h LYS 185 CO -0.10 0.31 -0.07 0.00 -2.27 0.00 0.00 179.45 177.31 1xx6 s HIS 187 N -3.20 2.32 -0.14 0.00 5.65 -0.30 -4.92 115.29 114.70 1xx6 s HIS 187 Ca 0.06 0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.63 1xx6 s HIS 187 Cb 0.06 -4.00 0.02 0.00 -1.18 0.00 0.00 32.58 27.47 1xx6 s HIS 187 CO 0.68 -4.07 -0.18 0.08 -0.65 0.00 0.00 174.74 170.59 1xx6 s VAL 188 N 2.77 1.81 -0.38 0.89 1.01 -1.26 -4.98 120.40 120.26 1xx6 s VAL 188 Ca 0.75 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1xx6 s VAL 188 Cb -0.41 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 34.46 1xx6 s VAL 188 CO 0.33 0.50 0.17 -0.69 0.00 0.00 0.00 175.10 175.41 1xx6 s VAL 189 N 1.11 1.28 0.23 2.92 1.01 -1.26 -4.70 120.40 120.98 1xx6 s VAL 189 Ca -0.02 -2.10 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 1xx6 s VAL 189 Cb -0.14 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 1xx6 s VAL 189 CO -0.06 -0.79 1.20 -2.16 0.00 0.00 0.00 175.10 173.29 1xx6 s PRO 190 N 0.88 4.50 0.00 2.72 0.04 -1.25 -4.79 135.00 137.09 1xx6 s PRO 190 Ca 0.14 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1xx6 s PRO 190 Cb -0.21 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1xx6 s PRO 190 CO -0.10 -0.04 0.32 0.94 0.04 0.00 0.00 177.00 178.15