#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxm n GLY 2 N 0.00 -1.70 3.50 0.00 0.00 -1.25 -4.94 105.19 100.79 1hxm n GLY 2 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1hxm n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hxm s HIS 3 N -3.58 -0.44 -0.09 1.61 -3.43 -0.81 -4.99 115.29 103.54 1hxm s HIS 3 Ca 0.70 0.21 -0.03 0.00 -0.80 0.00 0.00 55.06 55.15 1hxm s HIS 3 Cb -0.03 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.67 1hxm s HIS 3 CO 0.50 -0.84 0.03 -0.51 -2.00 0.00 0.00 174.74 171.92 1hxm s LEU 4 N -2.73 3.73 0.00 5.38 1.43 -1.26 -2.69 118.68 122.55 1hxm s LEU 4 Ca 0.03 0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 1hxm s LEU 4 Cb -0.02 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1hxm s LEU 4 CO -0.09 0.38 -0.23 -1.61 0.23 0.00 0.00 176.35 175.03 1hxm s GLU 5 N -0.88 2.08 -0.42 1.70 2.02 0.03 -4.41 118.70 118.83 1hxm s GLU 5 Ca 0.13 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1hxm s GLU 5 Cb -0.11 -2.10 0.15 0.00 0.10 0.00 0.00 34.13 32.16 1hxm s GLU 5 CO 0.03 0.55 0.26 -0.65 0.02 0.00 0.00 175.26 175.47 1hxm s GLN 6 N -0.94 1.02 0.29 1.61 -0.21 -1.26 -0.50 119.66 119.67 1hxm s GLN 6 Ca 0.11 -1.86 0.04 0.00 0.02 0.00 0.00 55.36 53.68 1hxm s GLN 6 Cb -0.10 -1.87 0.67 0.00 1.00 0.00 0.00 33.01 32.71 1hxm s GLN 6 CO 0.01 -1.23 1.79 -1.35 -2.12 0.00 0.00 175.29 172.39 1hxm h PRO 7 N 6.56 0.78 -5.93 2.91 0.11 -1.93 -3.39 132.00 131.10 1hxm h PRO 7 Ca 0.07 -0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.65 1hxm h PRO 7 Cb 0.93 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1hxm h PRO 7 CO 0.40 0.51 1.35 -0.65 -0.21 0.00 0.00 178.00 179.41 1hxm s GLN 8 N -5.89 2.57 0.32 1.05 -0.21 -1.26 -4.80 119.66 111.43 1hxm s GLN 8 Ca -0.12 0.65 0.01 0.00 0.02 0.00 0.00 55.36 55.92 1hxm s GLN 8 Cb 0.24 -4.43 0.55 0.00 1.00 0.00 0.00 33.01 30.37 1hxm s GLN 8 CO 0.80 -2.82 1.95 0.82 -2.12 0.00 0.00 175.29 173.92 1hxm h ILE 9 N 6.98 1.12 -3.09 1.08 1.08 -1.86 -3.40 117.51 119.42 1hxm h ILE 9 Ca -0.24 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1hxm h ILE 9 Cb 1.17 0.04 -0.12 0.00 -3.07 0.00 0.00 36.82 34.84 1hxm h ILE 9 CO 1.21 0.18 0.15 -0.94 -0.69 0.00 0.00 178.15 178.06 1hxm s SER 10 N -6.19 -0.47 -0.15 1.72 1.04 -1.26 -1.92 113.70 106.46 1hxm s SER 10 Ca -0.11 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 1hxm s SER 10 Cb 0.19 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.93 1hxm s SER 10 CO 0.79 -0.97 0.00 -0.55 0.98 0.00 0.00 173.24 173.49 1hxm s SER 11 N -2.78 2.52 -0.20 7.02 0.15 0.67 -4.78 113.70 116.31 1hxm s SER 11 Ca 0.02 -0.57 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 1hxm s SER 11 Cb -0.01 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.61 1hxm s SER 11 CO -0.11 -0.24 0.27 -0.89 1.20 0.00 0.00 173.24 173.47 1hxm s THR 12 N 1.82 5.30 0.06 6.45 2.01 -1.26 -0.79 115.64 129.23 1hxm s THR 12 Ca 0.01 0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1hxm s THR 12 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1hxm s THR 12 CO -0.07 0.33 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.59 1hxm s LYS 13 N 0.93 0.60 0.23 4.92 -0.14 0.13 -4.95 119.74 121.45 1hxm s LYS 13 Ca 0.14 -1.00 0.01 0.00 -1.36 0.00 0.00 55.97 53.76 1hxm s LYS 13 Cb -0.14 -0.10 -0.04 0.00 -1.68 0.00 0.00 37.83 35.87 1hxm s LYS 13 CO 0.05 -0.02 0.40 0.95 -0.76 0.00 0.00 175.35 175.97 1hxm s THR 14 N -2.55 5.21 0.54 2.17 -4.23 -1.26 -1.65 115.64 113.87 1hxm s THR 14 Ca -0.01 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1hxm s THR 14 Cb -0.02 -3.78 -0.13 0.00 1.34 0.00 0.00 72.50 69.92 1hxm s THR 14 CO -0.03 -0.25 0.11 0.18 -0.54 0.00 0.00 174.62 174.08 1hxm n LEU 15 N -0.97 -2.03 0.00 4.79 4.32 -1.21 -2.02 117.00 119.89 1hxm n LEU 15 Ca -0.06 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1hxm n LEU 15 Cb 0.55 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1hxm n LEU 15 CO 0.48 -4.15 0.00 -1.20 -1.22 0.00 0.00 177.39 171.29 1hxm n SER 16 N 1.75 0.00 -4.67 -1.43 7.64 -0.73 -4.95 113.62 111.23 1hxm n SER 16 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.68 1hxm n SER 16 Cb 0.47 -0.16 0.18 0.00 -1.01 0.00 0.00 64.21 63.69 1hxm n SER 16 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1hxm s LYS 17 N 0.00 0.45 -0.16 1.43 -0.14 -0.85 -4.22 119.74 116.25 1hxm s LYS 17 Ca 0.00 0.57 0.01 0.00 -1.36 0.00 0.00 55.97 55.20 1hxm s LYS 17 Cb 0.00 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1hxm s LYS 17 CO 0.00 -2.73 -0.20 -0.08 -0.76 0.00 0.00 175.35 171.58 1hxm s THR 18 N -2.93 2.01 0.18 2.17 -1.32 -1.26 0.45 115.64 114.93 1hxm s THR 18 Ca 0.65 -0.92 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 1hxm s THR 18 Cb -0.19 -1.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.94 1hxm s THR 18 CO 0.58 0.53 0.42 0.00 -2.21 0.00 0.00 174.62 173.94 1hxm s ALA 19 N 1.14 3.76 -0.24 11.08 0.00 0.09 -4.92 121.76 132.68 1hxm s ALA 19 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1hxm s ALA 19 Cb -0.14 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 20.91 1hxm s ALA 19 CO -0.09 0.56 0.06 1.03 0.00 0.00 0.00 175.76 177.32 1hxm s ARG 20 N -2.92 0.59 -0.22 0.00 0.52 -1.26 0.12 118.95 115.78 1hxm s ARG 20 Ca 0.41 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1hxm s ARG 20 Cb -0.12 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1hxm s ARG 20 CO 0.26 -0.78 0.13 -0.51 0.02 0.00 0.00 175.30 174.42 1hxm s LEU 21 N 1.84 4.05 0.16 2.53 1.02 0.13 -4.94 118.68 123.48 1hxm s LEU 21 Ca 0.03 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.33 1hxm s LEU 21 Cb -0.17 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1hxm s LEU 21 CO -0.16 0.11 0.26 -1.61 0.02 0.00 0.00 176.35 174.97 1hxm s GLU 22 N 0.79 3.34 -0.05 1.70 2.02 -1.26 -0.13 118.70 125.11 1hxm s GLU 22 Ca 0.07 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1hxm s GLU 22 Cb -0.13 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.24 1hxm s GLU 22 CO 0.02 0.50 0.08 0.00 0.02 0.00 0.00 175.26 175.89 1hxm s VAL 24 N 2.15 2.64 0.15 0.00 -7.23 0.34 0.15 120.40 118.60 1hxm s VAL 24 Ca 0.04 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1hxm s VAL 24 Cb -0.12 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1hxm s VAL 24 CO -0.04 0.51 0.36 0.68 -0.31 0.00 0.00 175.10 176.30 1hxm s VAL 25 N 0.99 5.22 0.03 1.32 -7.23 0.07 -0.79 120.40 120.01 1hxm s VAL 25 Ca -0.02 -0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 59.77 1hxm s VAL 25 Cb -0.15 -3.67 0.04 0.00 0.56 0.00 0.00 36.38 33.16 1hxm s VAL 25 CO -0.03 -0.03 0.41 -0.94 -0.31 0.00 0.00 175.10 174.20 1hxm s SER 26 N -2.75 -0.29 0.00 4.85 1.04 -1.09 -4.83 113.70 110.62 1hxm s SER 26 Ca 0.39 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1hxm s SER 26 Cb -0.12 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1hxm s SER 26 CO 0.27 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1hxm n GLY 27 N 0.67 0.93 3.24 7.32 0.00 -1.26 -1.93 105.19 114.15 1hxm n GLY 27 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1hxm n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxm s ILE 28 N -3.72 0.12 -0.20 -0.61 -1.09 -1.26 -3.91 121.20 110.53 1hxm s ILE 28 Ca 0.00 -1.21 -0.02 0.00 -2.23 0.00 0.00 60.65 57.19 1hxm s ILE 28 Cb 0.00 -1.45 0.00 0.00 -1.58 0.00 0.00 42.46 39.43 1hxm s ILE 28 CO 0.00 -0.56 -0.10 0.28 -1.23 0.00 0.00 174.94 173.33 1hxm s THR 29 N -3.89 2.91 0.00 2.92 -1.32 -1.26 -4.99 115.64 110.01 1hxm s THR 29 Ca 0.08 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1hxm s THR 29 Cb 0.04 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1hxm s THR 29 CO -0.08 0.47 0.24 2.30 -2.21 0.00 0.00 174.62 175.33 1hxm n ILE 30 N 4.70 0.00 0.10 5.08 -6.64 -1.26 -3.26 119.36 118.08 1hxm n ILE 30 Ca -0.19 0.74 0.00 0.00 -1.77 0.00 0.00 62.75 61.53 1hxm n ILE 30 Cb 0.51 -1.27 0.00 0.00 -1.44 0.00 0.00 39.64 37.44 1hxm n ILE 30 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1hxm n SER 31 N -0.46 0.00 -0.00 7.28 7.64 -1.26 -0.61 113.62 126.21 1hxm n SER 31 Ca 0.00 0.15 -0.09 0.00 1.01 0.00 0.00 58.87 59.94 1hxm n SER 31 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1hxm n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hxm h ALA 32 N 0.00 0.68 -1.00 -0.43 0.00 -1.91 -3.44 119.26 113.16 1hxm h ALA 32 Ca 0.00 -1.36 -0.62 0.00 0.00 0.00 0.00 54.91 52.93 1hxm h ALA 32 Cb 1.08 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 1hxm h ALA 32 CO 0.00 1.51 -0.53 0.95 0.00 0.00 0.00 179.25 181.18 1hxm s THR 33 N -2.62 1.04 -0.09 0.00 -4.23 0.22 -4.87 115.64 105.09 1hxm s THR 33 Ca -0.04 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1hxm s THR 33 Cb 0.08 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1hxm s THR 33 CO 0.82 0.00 0.08 -0.44 -0.54 0.00 0.00 174.62 174.55 1hxm s SER 34 N -3.75 5.88 -0.23 3.99 0.01 -1.26 -4.08 113.70 114.25 1hxm s SER 34 Ca 0.16 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.61 1hxm s SER 34 Cb 0.03 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 1hxm s SER 34 CO 0.09 0.38 0.25 -0.69 0.41 0.00 0.00 173.24 173.68 1hxm s VAL 35 N -0.99 5.30 0.21 3.43 1.01 -1.08 -4.40 120.40 123.87 1hxm s VAL 35 Ca 0.15 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1hxm s VAL 35 Cb -0.12 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1hxm s VAL 35 CO 0.04 0.30 0.15 -0.31 0.00 0.00 0.00 175.10 175.29 1hxm s TYR 36 N 1.23 3.10 -0.10 5.22 2.02 0.12 -1.64 117.35 127.30 1hxm s TYR 36 Ca 0.11 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1hxm s TYR 36 Cb -0.14 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1hxm s TYR 36 CO 0.06 0.52 0.01 -1.58 -1.57 0.00 0.00 175.55 173.00 1hxm s TRP 37 N -1.96 0.73 0.07 2.71 0.52 0.23 -1.21 118.94 120.02 1hxm s TRP 37 Ca 0.32 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 56.14 1hxm s TRP 37 Cb -0.09 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1hxm s TRP 37 CO 0.24 -0.40 0.06 0.71 0.02 0.00 0.00 176.95 177.58 1hxm s TYR 38 N 1.95 3.16 -0.11 -1.98 2.02 0.17 -0.60 117.35 121.96 1hxm s TYR 38 Ca 0.04 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1hxm s TYR 38 Cb -0.13 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1hxm s TYR 38 CO -0.06 0.51 -0.21 0.50 -1.57 0.00 0.00 175.55 174.72 1hxm s ARG 39 N -2.24 2.80 -0.59 -0.62 3.52 0.87 0.11 118.95 122.79 1hxm s ARG 39 Ca 0.27 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1hxm s ARG 39 Cb -0.12 -2.20 0.15 0.00 -1.56 0.00 0.00 34.95 31.22 1hxm s ARG 39 CO 0.20 0.07 0.37 -2.00 -0.81 0.00 0.00 175.30 173.13 1hxm s GLU 40 N 0.60 2.31 0.67 5.12 2.12 0.12 -1.48 118.70 128.17 1hxm s GLU 40 Ca -0.13 -2.69 -0.17 0.00 0.36 0.00 0.00 54.97 52.34 1hxm s GLU 40 Cb -0.17 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.72 1hxm s GLU 40 CO 0.04 -1.16 1.24 0.50 -0.54 0.00 0.00 175.26 175.34 1hxm s ARG 41 N -0.37 2.44 0.19 4.30 6.06 -1.26 -1.70 118.95 128.61 1hxm s ARG 41 Ca 0.18 1.89 -0.31 0.00 -2.50 0.00 0.00 55.73 54.99 1hxm s ARG 41 Cb -0.21 -1.85 -0.09 0.00 0.06 0.00 0.00 34.95 32.85 1hxm s ARG 41 CO -0.03 -1.64 1.42 -1.25 -2.50 0.00 0.00 175.30 171.30 1hxm s PRO 42 N -3.61 4.30 0.00 5.12 0.04 -1.26 -1.48 135.00 138.11 1hxm s PRO 42 Ca 0.78 2.21 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1hxm s PRO 42 Cb -0.32 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1hxm s PRO 42 CO 0.41 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1hxm n GLY 43 N 2.80 2.82 3.81 0.56 0.00 -1.26 -5.00 105.19 108.92 1hxm n GLY 43 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1hxm n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hxm n GLU 44 N -0.58 -0.95 -3.95 1.61 1.02 -0.55 -5.09 120.64 112.15 1hxm n GLU 44 Ca 0.00 -2.22 -0.27 0.00 -0.02 0.00 0.00 57.16 54.65 1hxm n GLU 44 Cb 0.00 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1hxm n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1hxm s VAL 45 N -3.64 5.24 0.23 2.62 0.11 -1.26 -4.72 120.40 118.98 1hxm s VAL 45 Ca 0.72 -0.66 -0.32 0.00 -2.93 0.00 0.00 61.98 58.79 1hxm s VAL 45 Cb -0.02 -3.66 -0.12 0.00 -1.53 0.00 0.00 36.38 31.04 1hxm s VAL 45 CO 0.50 -0.04 1.67 -0.38 -3.33 0.00 0.00 175.10 173.52 1hxm n ILE 46 N -0.33 0.29 -4.03 7.04 5.41 -1.26 -4.54 119.36 121.95 1hxm n ILE 46 Ca -0.07 -0.07 -0.11 0.00 1.00 0.00 0.00 62.75 63.50 1hxm n ILE 46 Cb 0.53 -1.93 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 1hxm n ILE 46 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1hxm s GLN 47 N 0.67 0.44 0.37 0.38 0.74 -0.55 -4.96 119.66 116.75 1hxm s GLN 47 Ca 0.72 -0.74 -0.28 0.00 0.05 0.00 0.00 55.36 55.12 1hxm s GLN 47 Cb -0.52 -0.06 -0.11 0.00 1.10 0.00 0.00 33.01 33.42 1hxm s GLN 47 CO 0.37 -0.01 1.45 0.12 -0.55 0.00 0.00 175.29 176.67 1hxm s PHE 48 N -1.66 2.68 0.00 1.67 5.99 -1.26 -0.09 117.98 125.30 1hxm s PHE 48 Ca -0.11 1.22 0.00 0.00 0.00 0.00 0.00 56.93 58.04 1hxm s PHE 48 Cb -0.08 -3.95 0.00 0.00 0.00 0.00 0.00 43.02 38.99 1hxm s PHE 48 CO -0.01 -2.75 0.00 -0.11 -0.00 0.00 0.00 175.22 172.34 1hxm n LEU 49 N 0.52 0.00 -4.08 6.12 7.94 0.23 -4.63 117.00 123.10 1hxm n LEU 49 Ca 0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.81 1hxm n LEU 49 Cb 0.40 -0.09 -0.08 0.00 0.53 0.00 0.00 43.42 44.18 1hxm n LEU 49 CO 0.63 -0.35 -0.05 0.68 -1.11 0.00 0.00 177.39 177.18 1hxm s VAL 50 N -0.70 0.02 -0.15 1.96 -7.23 -1.03 -0.30 120.40 112.97 1hxm s VAL 50 Ca 0.00 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 1hxm s VAL 50 Cb 0.00 -2.22 0.06 0.00 0.56 0.00 0.00 36.38 34.78 1hxm s VAL 50 CO 0.00 -0.10 0.62 -0.94 -0.31 0.00 0.00 175.10 174.37 1hxm s SER 51 N -3.06 -0.61 -0.27 4.85 1.04 -0.50 -0.60 113.70 114.55 1hxm s SER 51 Ca 0.28 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.67 1hxm s SER 51 Cb 0.04 0.93 0.05 0.00 0.10 0.00 0.00 66.02 67.14 1hxm s SER 51 CO 0.08 -0.38 -0.07 -0.51 0.98 0.00 0.00 173.24 173.34 1hxm s ILE 52 N -0.36 2.52 1.11 -1.02 2.07 -0.65 -1.73 121.20 123.14 1hxm s ILE 52 Ca -0.05 -1.48 -0.15 0.00 -1.41 0.00 0.00 60.65 57.56 1hxm s ILE 52 Cb -0.03 -2.44 0.25 0.00 0.13 0.00 0.00 42.46 40.36 1hxm s ILE 52 CO 0.04 -0.02 1.08 -0.55 -1.91 0.00 0.00 174.94 173.58 1hxm s SER 53 N 1.18 1.62 0.15 4.50 0.15 0.18 -2.64 113.70 118.84 1hxm s SER 53 Ca -0.07 1.02 0.19 0.00 0.70 0.00 0.00 55.95 57.80 1hxm s SER 53 Cb -0.19 -1.57 0.81 0.00 -1.71 0.00 0.00 66.02 63.36 1hxm s SER 53 CO -0.04 -3.74 1.58 0.00 1.20 0.00 0.00 173.24 172.25 1hxm n TYR 54 N -4.56 0.46 -1.10 3.44 4.11 -1.26 -2.65 117.16 115.61 1hxm n TYR 54 Ca 0.07 0.19 -0.09 0.00 -0.00 0.00 0.00 57.90 58.08 1hxm n TYR 54 Cb 0.58 -0.80 0.28 0.00 -0.00 0.00 0.00 39.34 39.39 1hxm n TYR 54 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1hxm n ASP 55 N -1.93 4.52 0.00 9.48 3.85 -1.26 -4.92 116.55 126.29 1hxm n ASP 55 Ca 0.02 -3.32 0.00 0.00 -0.71 0.00 0.00 54.79 50.79 1hxm n ASP 55 Cb 0.18 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.20 1hxm n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hxm n GLY 56 N -0.39 1.98 3.78 6.12 0.00 -1.09 -4.98 105.19 110.61 1hxm n GLY 56 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 1hxm n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hxm s THR 57 N -2.13 3.71 -0.10 2.61 -4.23 -1.26 -4.81 115.64 109.44 1hxm s THR 57 Ca 0.00 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.82 1hxm s THR 57 Cb 0.00 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1hxm s THR 57 CO 0.00 -0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.28 1hxm s VAL 58 N -1.67 1.21 0.01 2.29 1.01 -1.26 -0.65 120.40 121.34 1hxm s VAL 58 Ca 0.58 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1hxm s VAL 58 Cb -0.22 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1hxm s VAL 58 CO 0.27 0.39 -0.14 0.00 0.00 0.00 0.00 175.10 175.62 1hxm s ARG 59 N 1.25 2.32 0.09 2.72 1.70 -0.71 -4.97 118.95 121.35 1hxm s ARG 59 Ca -0.03 -0.83 0.10 0.00 -0.47 0.00 0.00 55.73 54.50 1hxm s ARG 59 Cb -0.14 -2.33 -0.03 0.00 -0.57 0.00 0.00 34.95 31.88 1hxm s ARG 59 CO -0.04 0.58 -0.26 -1.59 -1.08 0.00 0.00 175.30 172.91 1hxm s LYS 60 N -1.25 1.61 0.87 3.89 -2.85 -1.26 -1.41 119.74 119.34 1hxm s LYS 60 Ca 0.15 -1.23 -0.13 0.00 -1.00 0.00 0.00 55.97 53.76 1hxm s LYS 60 Cb -0.11 -1.95 0.06 0.00 -2.06 0.00 0.00 37.83 33.77 1hxm s LYS 60 CO 0.05 0.48 0.76 -1.91 0.10 0.00 0.00 175.35 174.83 1hxm n GLU 61 N 1.30 -0.10 -1.86 1.78 4.07 0.58 -4.89 120.64 121.52 1hxm n GLU 61 Ca -0.17 0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.54 1hxm n GLU 61 Cb 0.52 -2.09 -0.01 0.00 -0.06 0.00 0.00 31.44 29.80 1hxm n GLU 61 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1hxm s SER 62 N -2.06 6.45 0.00 4.31 0.15 -1.26 -2.62 113.70 118.67 1hxm s SER 62 Ca 0.64 2.90 0.00 0.00 0.70 0.00 0.00 55.95 60.19 1hxm s SER 62 Cb -0.26 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1hxm s SER 62 CO 0.60 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1hxm n GLY 63 N 1.55 3.16 3.68 9.45 0.00 -1.26 -5.01 105.19 116.75 1hxm n GLY 63 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 1hxm n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hxm n ILE 64 N -1.30 0.36 -0.98 -0.61 2.08 -1.08 -4.92 119.36 112.93 1hxm n ILE 64 Ca 0.00 -0.07 -0.29 0.00 0.56 0.00 0.00 62.75 62.95 1hxm n ILE 64 Cb 0.00 -1.66 0.19 0.00 -0.75 0.00 0.00 39.64 37.41 1hxm n ILE 64 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1hxm s PRO 65 N 2.96 0.33 0.44 0.38 0.04 -1.26 -5.00 135.00 132.88 1hxm s PRO 65 Ca 0.89 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 1hxm s PRO 65 Cb -0.74 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1hxm s PRO 65 CO 0.49 -2.86 1.05 0.45 0.04 0.00 0.00 177.00 176.17 1hxm s SER 66 N -3.13 6.55 -1.57 6.66 0.15 -1.26 -4.01 113.70 117.09 1hxm s SER 66 Ca 0.66 2.00 -0.16 0.00 0.70 0.00 0.00 55.95 59.15 1hxm s SER 66 Cb -0.20 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.66 1hxm s SER 66 CO 0.59 -0.64 0.75 0.61 1.20 0.00 0.00 173.24 175.75 1hxm n GLY 67 N 0.08 -0.47 0.37 9.45 0.00 -1.26 -4.85 105.19 108.51 1hxm n GLY 67 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1hxm n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hxm n LYS 68 N -4.26 0.43 -4.26 1.61 3.00 -1.26 -4.82 118.16 108.62 1hxm n LYS 68 Ca 0.06 0.19 -0.27 0.00 -0.00 0.00 0.00 58.31 58.29 1hxm n LYS 68 Cb 0.50 -1.23 -0.09 0.00 0.00 0.00 0.00 35.03 34.22 1hxm n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1hxm s PHE 69 N -2.38 2.72 -0.07 5.64 0.08 -1.26 -1.13 117.98 121.58 1hxm s PHE 69 Ca -0.29 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 1hxm s PHE 69 Cb 0.11 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1hxm s PHE 69 CO 0.36 0.52 0.18 -1.21 -0.10 0.00 0.00 175.22 174.97 1hxm s GLU 70 N -2.90 0.21 0.06 0.44 2.02 -0.52 -4.97 118.70 113.05 1hxm s GLU 70 Ca 0.26 0.25 0.05 0.00 0.02 0.00 0.00 54.97 55.55 1hxm s GLU 70 Cb -0.09 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.21 1hxm s GLU 70 CO 0.17 -0.03 -0.15 0.08 0.02 0.00 0.00 175.26 175.35 1hxm s VAL 71 N 0.10 1.18 0.26 2.63 1.01 -1.26 -0.03 120.40 124.30 1hxm s VAL 71 Ca -0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 1hxm s VAL 71 Cb -0.01 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1hxm s VAL 71 CO 0.00 -0.14 0.46 1.51 0.00 0.00 0.00 175.10 176.93 1hxm s ASP 72 N -1.58 0.11 -0.21 3.32 -4.77 -1.20 -4.99 116.67 107.35 1hxm s ASP 72 Ca 0.00 -1.08 -0.04 0.00 -3.30 0.00 0.00 52.55 48.13 1hxm s ASP 72 Cb -0.09 0.59 0.11 0.00 -1.09 0.00 0.00 42.92 42.43 1hxm s ASP 72 CO 0.02 -1.16 0.32 0.00 0.70 0.00 0.00 175.17 175.05 1hxm s ARG 73 N -3.80 0.27 -0.53 2.11 1.04 -1.26 -2.89 118.95 113.89 1hxm s ARG 73 Ca 0.25 0.50 -0.10 0.00 -1.04 0.00 0.00 55.73 55.33 1hxm s ARG 73 Cb -0.00 -0.59 0.13 0.00 -2.04 0.00 0.00 34.95 32.45 1hxm s ARG 73 CO 0.11 -0.57 0.42 0.42 -0.04 0.00 0.00 175.30 175.65 1hxm s ILE 74 N 2.46 4.49 0.58 4.99 1.01 -0.29 -4.96 121.20 129.49 1hxm s ILE 74 Ca 0.08 -1.90 0.27 0.00 0.00 0.00 0.00 60.65 59.11 1hxm s ILE 74 Cb -0.15 -3.92 0.36 0.00 0.01 0.00 0.00 42.46 38.76 1hxm s ILE 74 CO -0.13 -0.83 2.09 1.55 0.00 0.00 0.00 174.94 177.61 1hxm h PRO 75 N 8.35 0.00 0.00 2.79 0.13 -1.95 -1.16 132.00 140.17 1hxm h PRO 75 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1hxm h PRO 75 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1hxm h PRO 75 CO 0.87 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 1hxm n GLU 76 N -3.92 0.22 -0.11 0.86 4.71 -1.26 -2.99 120.64 118.15 1hxm n GLU 76 Ca 0.02 0.18 0.05 0.00 -0.01 0.00 0.00 57.16 57.41 1hxm n GLU 76 Cb 0.35 -1.76 0.07 0.00 -1.01 0.00 0.00 31.44 29.09 1hxm n GLU 76 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1hxm n THR 77 N -2.14 1.23 -3.46 2.62 -2.24 -0.68 -4.99 114.28 104.62 1hxm n THR 77 Ca 0.06 -1.42 -0.21 0.00 -2.27 0.00 0.00 64.05 60.21 1hxm n THR 77 Cb 0.41 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1hxm n THR 77 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1hxm n SER 78 N -0.86 -1.38 -4.19 3.42 2.88 -0.53 -4.88 113.62 108.08 1hxm n SER 78 Ca 0.08 -0.36 -0.24 0.00 -1.33 0.00 0.00 58.87 57.02 1hxm n SER 78 Cb 0.53 -1.27 -0.15 0.00 -0.75 0.00 0.00 64.21 62.57 1hxm n SER 78 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hxm s THR 79 N -2.58 1.45 -0.03 2.46 -1.32 -1.03 -0.75 115.64 113.85 1hxm s THR 79 Ca 0.41 -0.94 0.05 0.00 -1.21 0.00 0.00 61.69 60.00 1hxm s THR 79 Cb -0.24 -1.24 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 1hxm s THR 79 CO 0.50 0.28 -0.16 -0.55 -2.21 0.00 0.00 174.62 172.47 1hxm s SER 80 N -0.77 3.86 -0.12 8.08 0.15 0.12 -1.14 113.70 123.88 1hxm s SER 80 Ca 0.06 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1hxm s SER 80 Cb -0.08 -0.73 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 1hxm s SER 80 CO 0.00 0.32 -0.12 -0.89 1.20 0.00 0.00 173.24 173.76 1hxm s THR 81 N -0.76 1.32 -0.18 6.45 2.01 -1.14 -0.28 115.64 123.05 1hxm s THR 81 Ca 0.12 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 1hxm s THR 81 Cb -0.10 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1hxm s THR 81 CO 0.01 0.41 0.49 -0.22 -0.69 0.00 0.00 174.62 174.63 1hxm s LEU 82 N 1.44 4.18 -0.17 4.42 2.96 0.82 -3.22 118.68 129.11 1hxm s LEU 82 Ca 0.02 0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 54.56 1hxm s LEU 82 Cb -0.13 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 1hxm s LEU 82 CO -0.07 -0.12 0.00 -0.89 -1.32 0.00 0.00 176.35 173.95 1hxm s THR 83 N 1.34 4.24 -0.27 3.68 2.01 0.96 -0.69 115.64 126.90 1hxm s THR 83 Ca 0.24 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1hxm s THR 83 Cb -0.15 -2.88 0.06 0.00 0.01 0.00 0.00 72.50 69.53 1hxm s THR 83 CO 0.09 0.47 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 1hxm s ILE 84 N 0.42 2.36 0.57 1.82 1.01 0.12 -1.43 121.20 126.07 1hxm s ILE 84 Ca -0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 60.65 58.89 1hxm s ILE 84 Cb -0.14 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 1hxm s ILE 84 CO 0.02 -0.08 1.01 -1.00 0.00 0.00 0.00 174.94 174.89 1hxm s HIS 85 N 1.12 3.53 -0.81 3.97 3.76 -0.29 -0.73 115.29 125.85 1hxm s HIS 85 Ca -0.07 1.37 -0.22 0.00 -0.15 0.00 0.00 55.06 55.99 1hxm s HIS 85 Cb -0.20 -2.76 0.03 0.00 1.11 0.00 0.00 32.58 30.76 1hxm s HIS 85 CO -0.04 -0.56 0.46 -1.71 -0.85 0.00 0.00 174.74 172.04 1hxm n ASN 86 N -2.22 -2.84 -4.63 1.40 5.15 -1.20 -4.79 115.26 106.13 1hxm n ASN 86 Ca 0.06 -0.88 -0.39 0.00 -0.60 0.00 0.00 54.58 52.77 1hxm n ASN 86 Cb 0.54 -1.08 0.04 0.00 -0.53 0.00 0.00 39.78 38.75 1hxm n ASN 86 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1hxm n VAL 87 N -3.63 3.36 -4.11 3.44 3.14 0.17 -4.68 118.33 116.03 1hxm n VAL 87 Ca -0.09 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.65 1hxm n VAL 87 Cb 0.39 -1.23 -0.05 0.00 -1.06 0.00 0.00 33.84 31.89 1hxm n VAL 87 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1hxm s GLU 88 N -2.58 1.83 0.26 1.45 -1.05 -1.26 -1.77 118.70 115.58 1hxm s GLU 88 Ca 0.72 -1.73 -0.02 0.00 -0.15 0.00 0.00 54.97 53.78 1hxm s GLU 88 Cb -0.45 0.42 0.46 0.00 -0.44 0.00 0.00 34.13 34.12 1hxm s GLU 88 CO 0.50 -0.74 1.82 0.87 0.95 0.00 0.00 175.26 178.65 1hxm h LYS 89 N 2.15 0.82 0.00 -4.83 1.57 -1.95 -0.07 116.57 114.27 1hxm h LYS 89 Ca -0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1hxm h LYS 89 Cb 1.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1hxm h LYS 89 CO 0.39 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 1hxm n GLN 90 N -4.71 0.59 0.00 3.15 10.64 -1.26 -1.75 117.38 124.04 1hxm n GLN 90 Ca 0.16 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.44 1hxm n GLN 90 Cb 0.31 -1.24 0.01 0.00 -0.86 0.00 0.00 30.24 28.46 1hxm n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1hxm n ASP 91 N -0.74 2.05 -4.67 2.61 10.43 -0.04 -4.89 116.55 121.31 1hxm n ASP 91 Ca 0.07 -1.53 -0.42 0.00 2.57 0.00 0.00 54.79 55.48 1hxm n ASP 91 Cb 0.03 0.46 -0.03 0.00 1.84 0.00 0.00 41.12 43.42 1hxm n ASP 91 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1hxm s ILE 92 N -2.46 3.68 -0.09 0.53 1.01 -0.72 -4.83 121.20 118.31 1hxm s ILE 92 Ca 0.19 0.88 -0.32 0.00 0.00 0.00 0.00 60.65 61.40 1hxm s ILE 92 Cb 0.18 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 39.21 1hxm s ILE 92 CO 0.56 -0.06 1.41 0.00 0.00 0.00 0.00 174.94 176.85 1hxm s ALA 93 N 3.63 -2.66 -0.21 9.38 0.00 -1.23 -4.20 121.76 126.47 1hxm s ALA 93 Ca 0.69 0.56 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 1hxm s ALA 93 Cb -0.32 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 1hxm s ALA 93 CO 0.27 -1.12 0.11 0.99 0.00 0.00 0.00 175.76 176.01 1hxm s THR 94 N -2.02 5.13 -0.20 0.00 2.01 -0.69 -1.50 115.64 118.38 1hxm s THR 94 Ca 0.24 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1hxm s THR 94 Cb 0.04 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1hxm s THR 94 CO -0.05 0.42 0.06 -0.31 -0.69 0.00 0.00 174.62 174.05 1hxm s TYR 95 N 0.62 3.19 0.04 4.92 2.02 0.10 0.13 117.35 128.38 1hxm s TYR 95 Ca 0.06 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 1hxm s TYR 95 Cb -0.12 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1hxm s TYR 95 CO 0.01 0.00 -0.19 0.71 -1.57 0.00 0.00 175.55 174.51 1hxm s TYR 96 N 0.72 2.53 0.04 2.71 2.02 0.12 -1.04 117.35 124.45 1hxm s TYR 96 Ca 0.03 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1hxm s TYR 96 Cb -0.13 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1hxm s TYR 96 CO 0.02 0.23 -0.14 0.00 -1.57 0.00 0.00 175.55 174.09 1hxm s ALA 98 N -0.98 -0.57 0.08 0.00 0.00 -0.35 0.23 121.76 120.17 1hxm s ALA 98 Ca 0.16 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1hxm s ALA 98 Cb -0.11 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1hxm s ALA 98 CO 0.07 -0.59 0.31 -0.48 0.00 0.00 0.00 175.76 175.06 1hxm s LEU 99 N -2.84 0.87 0.10 0.00 2.34 -0.27 0.13 118.68 119.00 1hxm s LEU 99 Ca 0.05 -0.33 -0.25 0.00 0.06 0.00 0.00 54.13 53.66 1hxm s LEU 99 Cb 0.03 1.42 -0.07 0.00 -0.56 0.00 0.00 46.19 47.02 1hxm s LEU 99 CO -0.11 -0.71 0.76 0.26 -1.06 0.00 0.00 176.35 175.49 1hxm s TRP 100 N -3.21 3.81 -0.15 3.48 0.52 -1.26 -0.36 118.94 121.77 1hxm s TRP 100 Ca -0.00 1.52 -0.05 0.00 0.02 0.00 0.00 56.10 57.59 1hxm s TRP 100 Cb 0.01 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1hxm s TRP 100 CO -0.08 0.39 0.03 -2.00 0.02 0.00 0.00 176.95 175.32 1hxm s GLU 101 N -0.56 3.65 -0.40 4.98 2.12 0.23 -4.91 118.70 123.81 1hxm s GLU 101 Ca 0.37 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 55.08 1hxm s GLU 101 Cb -0.21 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.14 1hxm s GLU 101 CO 0.24 0.40 0.84 0.00 -0.54 0.00 0.00 175.26 176.20 1hxm s ALA 102 N -0.01 3.36 0.93 6.30 0.00 -1.26 -1.44 121.76 129.63 1hxm s ALA 102 Ca 0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1hxm s ALA 102 Cb -0.12 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.67 1hxm s ALA 102 CO 0.01 -1.71 1.09 -0.65 0.00 0.00 0.00 175.76 174.50 1hxm s GLN 103 N 3.35 0.98 0.29 0.00 -1.52 -0.85 -4.90 119.66 117.01 1hxm s GLN 103 Ca 0.34 0.98 0.06 0.00 -1.95 0.00 0.00 55.36 54.79 1hxm s GLN 103 Cb -0.12 -1.76 0.80 0.00 -0.22 0.00 0.00 33.01 31.71 1hxm s GLN 103 CO 0.20 -2.48 1.39 1.04 -0.25 0.00 0.00 175.29 175.19 1hxm n GLN 104 N -4.07 -0.07 -4.17 2.91 1.13 -1.26 -4.36 117.38 107.49 1hxm n GLN 104 Ca 0.07 1.30 -0.23 0.00 -1.94 0.00 0.00 57.00 56.21 1hxm n GLN 104 Cb 0.54 -2.13 -0.06 0.00 0.11 0.00 0.00 30.24 28.71 1hxm n GLN 104 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1hxm s GLU 105 N -5.73 2.70 0.58 -1.09 -1.05 -1.26 -5.12 118.70 107.72 1hxm s GLU 105 Ca -0.11 -1.15 -0.14 0.00 -0.15 0.00 0.00 54.97 53.43 1hxm s GLU 105 Cb 0.27 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.47 1hxm s GLU 105 CO 0.69 0.40 1.01 -1.17 0.95 0.00 0.00 175.26 177.15 1hxm s LEU 106 N -3.67 3.42 0.00 1.83 2.96 -1.26 -3.93 118.68 118.03 1hxm s LEU 106 Ca 0.32 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1hxm s LEU 106 Cb -0.08 -4.49 0.00 0.00 0.50 0.00 0.00 46.19 42.12 1hxm s LEU 106 CO 0.23 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 1hxm n GLY 107 N -2.04 2.73 3.16 7.98 0.00 -1.26 -5.00 105.19 110.77 1hxm n GLY 107 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1hxm n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxm s LYS 108 N -0.46 3.02 0.24 1.61 -0.14 -1.25 -5.11 119.74 117.64 1hxm s LYS 108 Ca 0.00 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 1hxm s LYS 108 Cb 0.00 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 1hxm s LYS 108 CO 0.00 -0.24 -0.04 -1.59 -0.76 0.00 0.00 175.35 172.72 1hxm s LYS 109 N 1.32 1.41 0.01 1.68 -2.85 -1.26 -2.00 119.74 118.05 1hxm s LYS 109 Ca 0.04 -1.70 0.02 0.00 -1.00 0.00 0.00 55.97 53.33 1hxm s LYS 109 Cb -0.14 -0.88 -0.01 0.00 -2.06 0.00 0.00 37.83 34.74 1hxm s LYS 109 CO -0.10 -0.01 -0.07 0.42 0.10 0.00 0.00 175.35 175.69 1hxm s ILE 110 N -3.21 0.54 -0.44 3.79 1.01 -0.52 -4.94 121.20 117.44 1hxm s ILE 110 Ca 0.28 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 1hxm s ILE 110 Cb 0.04 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 42.05 1hxm s ILE 110 CO 0.09 0.02 0.49 -0.75 0.00 0.00 0.00 174.94 174.79 1hxm s LYS 111 N -0.52 3.11 -0.09 2.79 2.20 -1.26 0.76 119.74 126.74 1hxm s LYS 111 Ca -0.00 -0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 54.61 1hxm s LYS 111 Cb -0.04 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1hxm s LYS 111 CO -0.00 -0.94 0.62 0.08 -0.36 0.00 0.00 175.35 174.75 1hxm s VAL 112 N 2.25 5.09 0.15 4.02 1.01 0.52 -4.91 120.40 128.53 1hxm s VAL 112 Ca 0.13 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.44 1hxm s VAL 112 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1hxm s VAL 112 CO 0.13 0.27 0.02 -0.36 0.00 0.00 0.00 175.10 175.17 1hxm s PHE 113 N 0.78 2.93 0.70 5.22 0.40 -1.26 -1.12 117.98 125.63 1hxm s PHE 113 Ca 0.33 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.50 1hxm s PHE 113 Cb -0.17 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 41.98 1hxm s PHE 113 CO 0.15 0.51 1.02 0.20 0.70 0.00 0.00 175.22 177.80 1hxm s GLY 114 N -2.82 1.67 0.53 4.36 0.00 0.14 -4.57 107.32 106.63 1hxm s GLY 114 Ca 0.28 -0.87 0.31 0.00 0.00 0.00 0.00 44.72 44.44 1hxm s GLY 114 CO 0.19 -0.47 2.00 -0.56 0.00 0.00 0.00 173.10 174.27 1hxm h PRO 115 N -0.60 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 129.11 1hxm h PRO 115 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hxm h PRO 115 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1hxm h PRO 115 CO 0.61 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1hxm n GLY 116 N -0.17 2.23 2.97 1.56 0.00 -1.26 -5.02 105.19 105.50 1hxm n GLY 116 Ca -0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 1hxm n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxm s THR 117 N -2.51 0.80 -0.22 2.61 2.01 -0.21 -4.76 115.64 113.36 1hxm s THR 117 Ca 0.00 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 1hxm s THR 117 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1hxm s THR 117 CO 0.00 0.27 0.35 -0.54 -0.69 0.00 0.00 174.62 174.01 1hxm s LYS 118 N 0.57 4.12 -0.30 4.92 1.02 -0.81 -0.72 119.74 128.55 1hxm s LYS 118 Ca -0.10 0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.79 1hxm s LYS 118 Cb -0.13 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1hxm s LYS 118 CO 0.01 -0.07 0.58 -1.17 -0.92 0.00 0.00 175.35 173.78 1hxm s LEU 119 N 1.42 4.14 -0.16 3.17 2.96 -0.56 -0.24 118.68 129.41 1hxm s LEU 119 Ca 0.16 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1hxm s LEU 119 Cb -0.15 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 1hxm s LEU 119 CO 0.08 -0.41 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.00 1hxm s ILE 120 N 2.48 3.64 -0.27 6.68 1.01 0.03 -3.51 121.20 131.26 1hxm s ILE 120 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1hxm s ILE 120 Cb -0.15 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.78 1hxm s ILE 120 CO 0.11 0.49 -0.07 -0.63 0.00 0.00 0.00 174.94 174.84 1hxm s ILE 121 N 0.51 2.61 0.52 2.92 -1.09 -1.26 0.21 121.20 125.63 1hxm s ILE 121 Ca -0.05 -1.36 0.05 0.00 -2.23 0.00 0.00 60.65 57.07 1hxm s ILE 121 Cb -0.15 -2.44 0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1hxm s ILE 121 CO 0.03 0.04 0.30 0.42 -1.23 0.00 0.00 174.94 174.49 1hxm s THR 122 N 1.22 1.66 -0.04 2.92 -4.23 -0.66 -4.95 115.64 111.55 1hxm s THR 122 Ca -0.05 -1.61 0.15 0.00 -1.18 0.00 0.00 61.69 59.00 1hxm s THR 122 Cb -0.19 -2.27 -0.22 0.00 1.34 0.00 0.00 72.50 71.16 1hxm s THR 122 CO -0.04 0.00 0.28 -0.90 -0.54 0.00 0.00 174.62 173.42 1hxm n ASP 123 N -1.60 1.53 -3.98 3.99 5.68 -1.26 -3.29 116.55 117.62 1hxm n ASP 123 Ca -0.05 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.02 1hxm n ASP 123 Cb 0.65 1.52 -0.16 0.00 -1.14 0.00 0.00 41.12 41.99 1hxm n ASP 123 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1hxm s LYS 124 N -2.91 1.24 -0.69 0.11 -0.14 -1.26 -4.94 119.74 111.15 1hxm s LYS 124 Ca -0.06 -0.29 -0.27 0.00 -1.36 0.00 0.00 55.97 53.99 1hxm s LYS 124 Cb 0.09 -1.10 0.02 0.00 -1.68 0.00 0.00 37.83 35.16 1hxm s LYS 124 CO 0.62 0.01 1.34 -0.65 -0.76 0.00 0.00 175.35 175.91 1hxm s GLN 125 N 0.63 3.18 -0.68 1.68 -0.21 -1.26 -4.93 119.66 118.07 1hxm s GLN 125 Ca -0.11 -0.04 -0.25 0.00 0.02 0.00 0.00 55.36 54.98 1hxm s GLN 125 Cb -0.14 -4.18 -0.13 0.00 1.00 0.00 0.00 33.01 29.57 1hxm s GLN 125 CO 0.02 -2.13 2.44 1.28 -2.12 0.00 0.00 175.29 174.78 1hxm n LEU 126 N 9.62 1.63 -3.31 2.90 4.32 -1.26 -4.81 117.00 126.09 1hxm n LEU 126 Ca 0.06 -0.68 -0.32 0.00 -0.02 0.00 0.00 56.01 55.05 1hxm n LEU 126 Cb 0.49 -1.44 -0.02 0.00 -1.62 0.00 0.00 43.42 40.83 1hxm n LEU 126 CO 0.71 -1.74 2.73 -0.90 -1.22 0.00 0.00 177.39 176.98 1hxm n ASP 127 N 15.23 5.95 -2.32 -1.43 5.75 -1.26 -4.80 116.55 133.67 1hxm n ASP 127 Ca 0.46 -2.49 -0.10 0.00 -0.01 0.00 0.00 54.79 52.66 1hxm n ASP 127 Cb 0.42 -1.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.18 1hxm n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hxm n ALA 128 N 4.47 -0.26 -2.63 2.12 0.00 -1.26 -5.11 120.51 117.84 1hxm n ALA 128 Ca 0.58 -1.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 1hxm n ALA 128 Cb 0.21 0.86 -0.05 0.00 0.00 0.00 0.00 19.45 20.47 1hxm n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hxm s ASP 129 N -2.44 6.34 0.00 0.00 3.68 -1.26 -4.87 116.67 118.12 1hxm s ASP 129 Ca 0.19 -0.40 0.15 0.00 2.13 0.00 0.00 52.55 54.62 1hxm s ASP 129 Cb -0.01 -2.38 0.15 0.00 -1.45 0.00 0.00 42.92 39.24 1hxm s ASP 129 CO 0.14 -1.01 1.02 0.52 0.13 0.00 0.00 175.17 175.97 1hxm n VAL 130 N 6.02 0.11 -1.81 1.11 0.31 -1.26 -4.95 118.33 117.86 1hxm n VAL 130 Ca -0.00 -0.56 -0.38 0.00 -0.01 0.00 0.00 64.34 63.39 1hxm n VAL 130 Cb 0.47 1.22 0.04 0.00 -0.91 0.00 0.00 33.84 34.66 1hxm n VAL 130 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1hxm s SER 131 N -1.22 5.36 0.23 4.52 1.04 -1.25 -2.83 113.70 119.55 1hxm s SER 131 Ca 0.19 2.75 -0.31 0.00 0.48 0.00 0.00 55.95 59.07 1hxm s SER 131 Cb 0.13 -2.64 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 1hxm s SER 131 CO 0.19 -1.51 1.62 -2.84 0.98 0.00 0.00 173.24 171.68 1hxm s PRO 132 N -2.86 4.16 -0.30 4.02 0.02 -1.26 -4.43 135.00 134.35 1hxm s PRO 132 Ca 0.70 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 64.12 1hxm s PRO 132 Cb -0.40 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 1hxm s PRO 132 CO 0.48 -0.65 0.22 0.15 -0.33 0.00 0.00 177.00 176.87 1hxm s LYS 133 N 0.43 3.84 0.70 5.54 -0.14 -0.51 -4.87 119.74 124.73 1hxm s LYS 133 Ca 0.68 -0.37 -0.11 0.00 -1.36 0.00 0.00 55.97 54.81 1hxm s LYS 133 Cb -0.47 -3.70 0.01 0.00 -1.68 0.00 0.00 37.83 31.99 1hxm s LYS 133 CO 0.38 -0.26 1.07 -1.25 -0.76 0.00 0.00 175.35 174.54 1hxm s PRO 134 N 1.78 2.92 -0.25 -1.68 0.04 -1.26 -1.96 135.00 134.59 1hxm s PRO 134 Ca 0.07 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 1hxm s PRO 134 Cb -0.16 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1hxm s PRO 134 CO 0.11 -1.04 0.50 0.99 0.04 0.00 0.00 177.00 177.61 1hxm s THR 135 N -3.21 -0.79 0.29 1.26 2.01 -0.38 -4.94 115.64 109.88 1hxm s THR 135 Ca 0.58 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.37 1hxm s THR 135 Cb -0.12 -0.83 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 1hxm s THR 135 CO 0.53 0.01 0.93 -0.63 -0.69 0.00 0.00 174.62 174.77 1hxm s ILE 136 N 2.72 4.20 -0.21 1.82 -1.09 -1.26 -1.88 121.20 125.49 1hxm s ILE 136 Ca 0.02 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.27 1hxm s ILE 136 Cb -0.13 -4.09 0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1hxm s ILE 136 CO -0.16 0.25 0.06 -0.36 -1.23 0.00 0.00 174.94 173.50 1hxm s PHE 137 N -1.49 0.85 0.23 3.97 0.08 -0.85 -4.99 117.98 115.78 1hxm s PHE 137 Ca 0.47 -0.85 -0.14 0.00 0.12 0.00 0.00 56.93 56.53 1hxm s PHE 137 Cb -0.21 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.15 1hxm s PHE 137 CO 0.26 -0.64 0.64 -0.51 -0.10 0.00 0.00 175.22 174.86 1hxm s LEU 138 N 1.92 4.22 0.96 -0.37 1.43 -1.26 -2.32 118.68 123.25 1hxm s LEU 138 Ca 0.02 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1hxm s LEU 138 Cb -0.17 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1hxm s LEU 138 CO -0.13 -0.04 0.25 -2.65 0.23 0.00 0.00 176.35 174.01 1hxm n PRO 139 N 0.21 -0.32 -3.02 1.29 -0.02 -1.22 -4.94 135.00 126.98 1hxm n PRO 139 Ca -0.01 -0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 61.02 1hxm n PRO 139 Cb 0.52 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 1hxm n PRO 139 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hxm s SER 140 N -1.90 7.28 0.19 2.55 1.04 -1.26 -4.95 113.70 116.65 1hxm s SER 140 Ca 0.55 1.52 -0.19 0.00 0.48 0.00 0.00 55.95 58.30 1hxm s SER 140 Cb -0.20 -2.47 0.15 0.00 0.10 0.00 0.00 66.02 63.60 1hxm s SER 140 CO 0.69 0.15 1.60 0.40 0.98 0.00 0.00 173.24 177.05 1hxm h ILE 141 N 3.66 0.21 -0.88 -1.02 2.04 -1.99 -0.51 117.51 119.02 1hxm h ILE 141 Ca -0.46 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.62 1hxm h ILE 141 Cb 1.21 0.21 -0.15 0.00 -0.74 0.00 0.00 36.82 37.35 1hxm h ILE 141 CO 0.68 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.89 1hxm h ALA 142 N 1.13 1.05 -0.87 1.87 0.00 -1.99 -0.31 119.26 120.13 1hxm h ALA 142 Ca 0.25 0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.51 1hxm h ALA 142 Cb 0.54 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1hxm h ALA 142 CO -0.67 -0.49 0.56 1.49 0.00 0.00 0.00 179.25 180.15 1hxm h GLU 143 N 0.09 0.89 0.00 0.00 4.81 -1.41 -0.62 114.58 118.34 1hxm h GLU 143 Ca 0.52 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1hxm h GLU 143 Cb 1.01 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1hxm h GLU 143 CO -0.77 0.59 0.00 2.41 -0.73 0.00 0.00 179.01 180.51 1hxm n THR 144 N -4.51 1.82 0.55 0.32 -1.04 -0.13 0.58 114.28 111.88 1hxm n THR 144 Ca 0.14 0.49 0.10 0.00 -2.04 0.00 0.00 64.05 62.74 1hxm n THR 144 Cb 0.26 -1.47 0.12 0.00 -1.82 0.00 0.00 70.33 67.42 1hxm n THR 144 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1hxm n LYS 145 N -1.56 1.90 0.00 -2.82 4.01 -0.24 -3.51 118.16 115.93 1hxm n LYS 145 Ca 0.00 -1.82 0.00 0.00 -0.51 0.00 0.00 58.31 55.98 1hxm n LYS 145 Cb 0.02 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1hxm n LYS 145 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1hxm n LEU 146 N 1.11 0.00 -1.09 -0.35 7.94 0.20 -4.47 117.00 120.33 1hxm n LEU 146 Ca 0.13 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.07 1hxm n LEU 146 Cb 0.49 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.63 1hxm n LEU 146 CO 0.12 0.00 0.56 0.00 -1.11 0.00 0.00 177.39 176.96 1hxm n GLN 147 N 0.00 2.71 -3.39 1.96 6.02 -1.25 -4.81 117.38 118.62 1hxm n GLN 147 Ca 0.00 -1.47 -0.24 0.00 -0.01 0.00 0.00 57.00 55.27 1hxm n GLN 147 Cb 0.00 -1.78 0.04 0.00 1.02 0.00 0.00 30.24 29.52 1hxm n GLN 147 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1hxm n LYS 148 N 0.33 -5.58 -4.46 -1.09 5.02 -1.23 -4.55 118.16 106.61 1hxm n LYS 148 Ca 0.13 0.76 -0.31 0.00 -2.02 0.00 0.00 58.31 56.87 1hxm n LYS 148 Cb 0.64 -5.66 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 1hxm n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hxm s ALA 149 N -3.20 4.38 -0.01 7.82 0.00 -1.25 -2.98 121.76 126.52 1hxm s ALA 149 Ca 0.46 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1hxm s ALA 149 Cb -0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1hxm s ALA 149 CO 0.57 -0.18 0.09 0.20 0.00 0.00 0.00 175.76 176.44 1hxm s GLY 150 N -4.06 0.05 -0.18 0.00 0.00 -0.77 -2.92 107.32 99.43 1hxm s GLY 150 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1hxm s GLY 150 CO 0.08 -0.19 -0.08 -1.59 0.00 0.00 0.00 173.10 171.32 1hxm s THR 151 N -0.96 1.35 0.38 0.90 2.01 -1.26 0.50 115.64 118.57 1hxm s THR 151 Ca -0.11 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1hxm s THR 151 Cb -0.06 -1.48 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1hxm s THR 151 CO 0.01 0.15 0.71 -0.31 -0.69 0.00 0.00 174.62 174.49 1hxm s TYR 152 N 1.52 3.48 -0.17 4.92 2.02 0.20 -3.43 117.35 125.89 1hxm s TYR 152 Ca -0.00 0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 57.56 1hxm s TYR 152 Cb -0.16 -2.33 0.08 0.00 -0.40 0.00 0.00 41.96 39.15 1hxm s TYR 152 CO -0.08 -0.05 0.29 -1.17 -1.57 0.00 0.00 175.55 172.97 1hxm s LEU 153 N -3.88 -0.36 -0.17 -1.29 2.96 -0.98 -0.74 118.68 114.22 1hxm s LEU 153 Ca 0.49 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.79 1hxm s LEU 153 Cb -0.10 0.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.35 1hxm s LEU 153 CO 0.33 -0.26 -0.01 0.00 -1.32 0.00 0.00 176.35 175.08 1hxm s LEU 155 N 0.43 3.69 -0.16 0.00 2.96 -0.79 -1.75 118.68 123.07 1hxm s LEU 155 Ca -0.02 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1hxm s LEU 155 Cb -0.14 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1hxm s LEU 155 CO 0.02 0.11 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.20 1hxm s LEU 156 N 0.74 2.14 0.17 -0.68 1.43 -0.16 -1.24 118.68 121.08 1hxm s LEU 156 Ca 0.03 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1hxm s LEU 156 Cb -0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1hxm s LEU 156 CO 0.02 0.05 0.12 -1.83 0.23 0.00 0.00 176.35 174.94 1hxm s GLU 157 N 1.00 1.09 -1.30 1.70 -1.05 -0.83 -0.55 118.70 118.75 1hxm s GLU 157 Ca -0.02 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.29 1hxm s GLU 157 Cb -0.15 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1hxm s GLU 157 CO -0.06 -0.34 0.00 1.63 0.95 0.00 0.00 175.26 177.44 1hxm n LYS 158 N -0.19 -1.16 -3.98 -4.83 5.02 -0.32 -1.42 118.16 111.28 1hxm n LYS 158 Ca -0.02 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 1hxm n LYS 158 Cb 0.65 -5.05 -0.05 0.00 -0.02 0.00 0.00 35.03 30.56 1hxm n LYS 158 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1hxm s PHE 159 N -2.71 3.40 -0.08 2.13 -0.71 -0.98 -4.53 117.98 114.50 1hxm s PHE 159 Ca 0.00 0.21 -0.06 0.00 -1.04 0.00 0.00 56.93 56.04 1hxm s PHE 159 Cb 0.00 -1.72 -0.02 0.00 -1.21 0.00 0.00 43.02 40.06 1hxm s PHE 159 CO 0.00 0.57 -0.12 0.34 -1.34 0.00 0.00 175.22 174.67 1hxm n PHE 160 N 0.53 0.41 -0.19 3.49 -0.00 -1.13 -0.27 117.46 120.30 1hxm n PHE 160 Ca -0.08 0.18 0.28 0.00 -0.00 0.00 0.00 57.45 57.83 1hxm n PHE 160 Cb 0.52 -0.48 0.49 0.00 -0.00 0.00 0.00 39.48 40.00 1hxm n PHE 160 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1hxm h PRO 161 N -0.56 0.00 0.00 -7.13 0.11 -1.98 -3.43 132.00 119.01 1hxm h PRO 161 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1hxm h PRO 161 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1hxm h PRO 161 CO 0.00 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.39 1hxm n ASP 162 N -3.32 0.00 -4.61 -2.05 3.85 -1.26 -4.92 116.55 104.24 1hxm n ASP 162 Ca 0.22 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.87 1hxm n ASP 162 Cb 1.44 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 41.12 1hxm n ASP 162 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1hxm s VAL 163 N -0.77 4.35 0.07 2.12 1.01 -1.26 -4.98 120.40 120.94 1hxm s VAL 163 Ca 0.00 1.33 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1hxm s VAL 163 Cb 0.00 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1hxm s VAL 163 CO 0.00 -0.80 0.12 -0.51 0.00 0.00 0.00 175.10 173.91 1hxm s ILE 164 N 4.07 0.17 -0.04 2.22 2.07 -1.26 -4.54 121.20 123.88 1hxm s ILE 164 Ca 0.45 -1.37 -0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1hxm s ILE 164 Cb -0.09 -1.38 0.03 0.00 0.13 0.00 0.00 42.46 41.15 1hxm s ILE 164 CO 0.25 -0.76 0.02 -0.75 -1.91 0.00 0.00 174.94 171.80 1hxm s LYS 165 N -3.83 0.23 -0.06 3.50 2.47 -0.91 -5.02 119.74 116.13 1hxm s LYS 165 Ca 0.05 0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.70 1hxm s LYS 165 Cb 0.06 -0.62 0.00 0.00 -1.46 0.00 0.00 37.83 35.81 1hxm s LYS 165 CO -0.10 -0.26 -0.17 0.42 0.16 0.00 0.00 175.35 175.40 1hxm s ILE 166 N 1.71 1.43 0.14 5.43 1.01 -1.26 -1.15 121.20 128.51 1hxm s ILE 166 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1hxm s ILE 166 Cb -0.13 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1hxm s ILE 166 CO -0.03 0.42 0.29 -1.38 0.00 0.00 0.00 174.94 174.23 1hxm s HIS 167 N 0.23 0.19 0.32 3.97 -3.43 -1.05 -5.03 115.29 110.50 1hxm s HIS 167 Ca -0.08 -0.57 0.09 0.00 -0.80 0.00 0.00 55.06 53.69 1hxm s HIS 167 Cb -0.13 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1hxm s HIS 167 CO 0.03 -0.67 0.09 -1.58 -2.00 0.00 0.00 174.74 170.61 1hxm s TRP 168 N -3.90 2.68 0.23 0.38 0.52 -1.26 -1.52 118.94 116.06 1hxm s TRP 168 Ca 0.10 -0.36 -0.14 0.00 0.02 0.00 0.00 56.10 55.73 1hxm s TRP 168 Cb 0.03 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 1hxm s TRP 168 CO -0.06 0.43 0.47 -1.21 0.02 0.00 0.00 176.95 176.60 1hxm s GLU 169 N -3.79 1.47 0.46 4.98 2.02 -0.73 -3.27 118.70 119.85 1hxm s GLU 169 Ca 0.36 -1.16 0.05 0.00 0.02 0.00 0.00 54.97 54.24 1hxm s GLU 169 Cb -0.03 0.47 0.02 0.00 0.10 0.00 0.00 34.13 34.69 1hxm s GLU 169 CO 0.21 -0.61 0.65 -1.21 0.02 0.00 0.00 175.26 174.32 1hxm s GLU 170 N -3.98 2.76 0.00 1.61 2.02 -1.26 -1.48 118.70 118.37 1hxm s GLU 170 Ca 0.19 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1hxm s GLU 170 Cb -0.00 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1hxm s GLU 170 CO 0.05 -0.41 0.00 1.17 0.02 0.00 0.00 175.26 176.09 1hxm n LYS 171 N -2.03 0.00 -1.06 1.61 0.00 -0.45 -3.37 118.16 112.86 1hxm n LYS 171 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.25 1hxm n LYS 171 Cb 0.59 -0.41 0.17 0.00 0.00 0.00 0.00 35.03 35.38 1hxm n LYS 171 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1hxm n LYS 172 N 0.00 2.16 -0.00 1.64 5.02 -1.26 -4.37 118.16 121.35 1hxm n LYS 172 Ca 0.00 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 53.01 1hxm n LYS 172 Cb 0.00 -1.97 -0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1hxm n LYS 172 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1hxm n SER 173 N -1.07 0.21 -3.14 4.39 7.64 -1.25 -5.05 113.62 115.35 1hxm n SER 173 Ca 0.42 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1hxm n SER 173 Cb 1.10 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.30 1hxm n SER 173 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1hxm n ASN 174 N -1.03 0.00 -4.19 6.43 6.94 -1.22 -4.88 115.26 117.32 1hxm n ASN 174 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.23 1hxm n ASN 174 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1hxm n ASN 174 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1hxm s THR 175 N -3.87 2.21 0.35 5.53 -4.23 -1.26 -4.92 115.64 109.44 1hxm s THR 175 Ca 0.00 -0.92 -0.27 0.00 -1.18 0.00 0.00 61.69 59.32 1hxm s THR 175 Cb 0.00 -1.90 -0.12 0.00 1.34 0.00 0.00 72.50 71.81 1hxm s THR 175 CO 0.00 0.54 1.12 -0.38 -0.54 0.00 0.00 174.62 175.36 1hxm n ILE 176 N 4.14 2.13 0.00 2.99 5.41 -1.26 -4.34 119.36 128.43 1hxm n ILE 176 Ca -0.20 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.05 1hxm n ILE 176 Cb 0.51 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 1hxm n ILE 176 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1hxm n LEU 177 N 0.84 0.00 -2.92 1.39 4.32 -1.20 -5.03 117.00 114.40 1hxm n LEU 177 Ca 0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.96 1hxm n LEU 177 Cb 0.36 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.14 1hxm n LEU 177 CO 0.60 0.00 0.01 0.61 -1.22 0.00 0.00 177.39 177.39 1hxm n GLY 178 N 5.00 0.33 3.33 -0.72 0.00 -1.26 -5.03 105.19 106.84 1hxm n GLY 178 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1hxm n GLY 178 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxm n SER 179 N 2.58 1.96 -4.16 1.61 3.41 -1.26 -4.92 113.62 112.85 1hxm n SER 179 Ca 0.19 -2.38 -0.14 0.00 -0.26 0.00 0.00 58.87 56.28 1hxm n SER 179 Cb 0.55 -0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 1hxm n SER 179 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hxm s GLN 180 N -4.19 0.79 0.09 4.33 -0.21 -1.05 -5.04 119.66 114.39 1hxm s GLN 180 Ca 0.47 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.68 1hxm s GLN 180 Cb -0.04 -0.45 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 1hxm s GLN 180 CO 0.30 0.06 0.11 -1.83 -2.12 0.00 0.00 175.29 171.81 1hxm s GLU 181 N -2.73 0.82 0.62 2.91 -1.05 -1.26 -1.11 118.70 116.90 1hxm s GLU 181 Ca 0.04 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.73 1hxm s GLU 181 Cb -0.03 0.29 0.08 0.00 -0.44 0.00 0.00 34.13 34.03 1hxm s GLU 181 CO -0.01 -0.23 0.86 0.20 0.95 0.00 0.00 175.26 177.03 1hxm s GLY 182 N -2.92 1.79 0.54 -3.83 0.00 -0.94 -5.03 107.32 96.93 1hxm s GLY 182 Ca 0.10 -1.64 -0.19 0.00 0.00 0.00 0.00 44.72 42.99 1hxm s GLY 182 CO -0.07 -1.22 1.08 -1.31 0.00 0.00 0.00 173.10 171.58 1hxm s ASN 183 N -4.59 5.92 0.19 1.64 0.01 -1.26 -4.64 114.94 112.21 1hxm s ASN 183 Ca 0.62 2.02 -0.30 0.00 -0.71 0.00 0.00 52.86 54.49 1hxm s ASN 183 Cb -0.07 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.93 1hxm s ASN 183 CO 0.41 -1.08 1.32 -0.89 -1.51 0.00 0.00 177.10 175.35 1hxm s THR 184 N -1.98 3.23 -0.03 1.60 2.01 -1.26 -4.77 115.64 114.43 1hxm s THR 184 Ca 0.69 0.99 0.05 0.00 0.31 0.00 0.00 61.69 63.73 1hxm s THR 184 Cb -0.20 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1hxm s THR 184 CO 0.27 0.14 -0.15 -0.32 -0.69 0.00 0.00 174.62 173.86 1hxm s MET 185 N 0.03 2.40 0.25 4.92 1.75 0.50 -4.95 119.30 124.20 1hxm s MET 185 Ca 0.57 -0.76 -0.20 0.00 -1.25 0.00 0.00 55.69 54.05 1hxm s MET 185 Cb -0.36 -2.33 -0.09 0.00 2.84 0.00 0.00 34.83 34.89 1hxm s MET 185 CO 0.37 0.60 0.77 0.21 -0.65 0.00 0.00 175.02 176.32 1hxm s LYS 186 N -0.88 4.28 -0.42 4.11 2.20 -1.26 -0.34 119.74 127.43 1hxm s LYS 186 Ca 0.12 0.93 0.06 0.00 -0.36 0.00 0.00 55.97 56.72 1hxm s LYS 186 Cb -0.11 -2.81 0.21 0.00 -1.51 0.00 0.00 37.83 33.61 1hxm s LYS 186 CO 0.02 0.35 0.49 0.25 -0.36 0.00 0.00 175.35 176.09 1hxm n THR 187 N 0.58 -0.81 -2.80 3.43 -2.24 0.48 -4.90 114.28 108.02 1hxm n THR 187 Ca -0.01 -3.19 -0.06 0.00 -2.27 0.00 0.00 64.05 58.52 1hxm n THR 187 Cb 0.51 -1.20 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1hxm n THR 187 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hxm n ASN 188 N 2.27 -7.92 -4.42 3.42 3.02 -1.26 -3.70 115.26 106.67 1hxm n ASN 188 Ca 0.24 0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 55.15 1hxm n ASN 188 Cb 0.52 -5.35 -0.09 0.00 -0.61 0.00 0.00 39.78 34.25 1hxm n ASN 188 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1hxm n ASP 189 N -0.08 -0.52 -3.56 6.41 5.68 -1.26 -4.89 116.55 118.32 1hxm n ASP 189 Ca 0.09 -1.25 -0.09 0.00 -0.50 0.00 0.00 54.79 53.04 1hxm n ASP 189 Cb 0.35 -1.58 -0.04 0.00 -1.14 0.00 0.00 41.12 38.71 1hxm n ASP 189 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1hxm s THR 190 N -3.77 0.00 0.35 2.12 -1.32 -1.24 -4.91 115.64 106.87 1hxm s THR 190 Ca 0.44 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.98 1hxm s THR 190 Cb -0.26 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.66 1hxm s THR 190 CO 1.01 0.00 0.02 -0.31 -2.21 0.00 0.00 174.62 173.13 1hxm s TYR 191 N -1.75 2.18 0.09 9.09 2.02 0.63 0.18 117.35 129.79 1hxm s TYR 191 Ca 0.02 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 1hxm s TYR 191 Cb -0.01 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1hxm s TYR 191 CO -0.02 0.22 0.04 0.00 -1.57 0.00 0.00 175.55 174.22 1hxm s MET 192 N -3.79 0.77 -0.16 -0.62 0.23 0.54 -1.17 119.30 115.10 1hxm s MET 192 Ca 0.35 -1.27 -0.30 0.00 -1.03 0.00 0.00 55.69 53.44 1hxm s MET 192 Cb 0.08 0.24 0.12 0.00 -1.53 0.00 0.00 34.83 33.75 1hxm s MET 192 CO 0.16 -0.19 0.97 0.21 -2.03 0.00 0.00 175.02 174.14 1hxm s LYS 193 N -3.96 0.63 0.05 3.16 2.20 0.28 -0.37 119.74 121.73 1hxm s LYS 193 Ca 0.13 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1hxm s LYS 193 Cb 0.07 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1hxm s LYS 193 CO -0.06 -0.19 -0.09 -0.59 -0.36 0.00 0.00 175.35 174.06 1hxm s PHE 194 N -1.07 0.81 0.01 4.03 -0.12 -1.26 -0.99 117.98 119.39 1hxm s PHE 194 Ca -0.02 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.38 1hxm s PHE 194 Cb -0.01 -0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1hxm s PHE 194 CO 0.02 -0.05 -0.11 0.45 -0.05 0.00 0.00 175.22 175.48 1hxm s SER 195 N -1.71 1.30 0.05 1.98 0.15 -0.71 -2.22 113.70 112.54 1hxm s SER 195 Ca -0.07 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1hxm s SER 195 Cb -0.09 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1hxm s SER 195 CO 0.01 0.07 -0.09 -1.66 1.20 0.00 0.00 173.24 172.76 1hxm s TRP 196 N -0.51 0.82 -0.02 3.44 -2.14 -0.26 -0.96 118.94 119.30 1hxm s TRP 196 Ca 0.02 -0.50 0.01 0.00 2.66 0.00 0.00 56.10 58.29 1hxm s TRP 196 Cb -0.06 -0.48 0.02 0.00 -3.10 0.00 0.00 33.47 29.85 1hxm s TRP 196 CO 0.00 -0.05 -0.02 -1.17 -2.66 0.00 0.00 176.95 173.05 1hxm s LEU 197 N -1.65 1.48 -0.42 -4.66 2.96 0.08 -2.53 118.68 113.94 1hxm s LEU 197 Ca -0.07 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1hxm s LEU 197 Cb -0.10 -0.26 0.08 0.00 0.50 0.00 0.00 46.19 46.41 1hxm s LEU 197 CO 0.01 -0.04 0.25 -0.89 -1.32 0.00 0.00 176.35 174.36 1hxm s THR 198 N 0.62 4.13 0.06 3.68 2.01 -1.26 0.58 115.64 125.46 1hxm s THR 198 Ca -0.07 -1.45 -0.27 0.00 0.31 0.00 0.00 61.69 60.21 1hxm s THR 198 Cb -0.10 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1hxm s THR 198 CO -0.01 -0.51 0.87 0.68 -0.69 0.00 0.00 174.62 174.96 1hxm s VAL 199 N 1.40 4.67 0.94 3.82 -7.23 0.18 -4.87 120.40 119.31 1hxm s VAL 199 Ca 0.03 1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 61.93 1hxm s VAL 199 Cb -0.23 -4.22 0.15 0.00 0.56 0.00 0.00 36.38 32.64 1hxm s VAL 199 CO 0.02 0.31 1.09 -2.84 -0.31 0.00 0.00 175.10 173.37 1hxm s PRO 200 N 0.14 0.92 0.21 4.82 0.02 -1.26 -1.85 135.00 138.00 1hxm s PRO 200 Ca 0.43 0.87 -0.10 0.00 0.02 0.00 0.00 61.00 62.22 1hxm s PRO 200 Cb -0.22 -1.77 0.29 0.00 0.02 0.00 0.00 34.50 32.83 1hxm s PRO 200 CO 0.26 -2.48 1.24 -1.91 -0.33 0.00 0.00 177.00 173.78 1hxm n GLU 201 N -4.06 -0.12 0.07 5.54 4.07 -1.16 -2.41 120.64 122.57 1hxm n GLU 201 Ca 0.07 1.24 -0.05 0.00 -0.06 0.00 0.00 57.16 58.35 1hxm n GLU 201 Cb 0.55 -1.85 -0.03 0.00 -0.06 0.00 0.00 31.44 30.05 1hxm n GLU 201 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1hxm h LYS 202 N 0.00 -0.28 0.00 5.31 1.63 -1.91 -3.15 116.57 118.18 1hxm h LYS 202 Ca 0.34 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1hxm h LYS 202 Cb 0.54 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1hxm h LYS 202 CO -0.81 -0.19 0.06 0.43 -3.45 0.00 0.00 179.45 175.49 1hxm n SER 203 N -3.31 0.00 -0.28 4.20 7.64 -1.01 -3.69 113.62 117.17 1hxm n SER 203 Ca -0.03 0.22 0.23 0.00 1.01 0.00 0.00 58.87 60.29 1hxm n SER 203 Cb 0.14 -0.22 0.55 0.00 -1.01 0.00 0.00 64.21 63.67 1hxm n SER 203 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1hxm h LEU 204 N 0.00 0.36 -0.14 -3.43 4.07 -1.57 -1.83 115.31 112.76 1hxm h LEU 204 Ca 0.00 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.80 1hxm h LEU 204 Cb 0.11 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1hxm h LEU 204 CO 0.00 0.10 -0.97 -2.24 -1.08 0.00 0.00 178.44 174.25 1hxm h ASP 205 N 0.33 0.17 -3.24 -0.43 3.04 -1.77 -3.11 116.42 111.41 1hxm h ASP 205 Ca 0.53 -0.16 -0.41 0.00 -3.24 0.00 0.00 57.03 53.75 1hxm h ASP 205 Cb 1.47 -0.05 0.21 0.00 -1.04 0.00 0.00 39.33 39.91 1hxm h ASP 205 CO -0.20 1.04 -0.01 -0.54 -2.04 0.00 0.00 179.24 177.48 1hxm s LYS 206 N -2.95 -1.78 0.20 4.15 1.02 -0.69 -4.48 119.74 115.21 1hxm s LYS 206 Ca -0.02 0.36 0.07 0.00 0.02 0.00 0.00 55.97 56.40 1hxm s LYS 206 Cb 0.10 -1.49 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 1hxm s LYS 206 CO 0.83 -4.17 0.09 -2.00 -0.92 0.00 0.00 175.35 169.18 1hxm s GLU 207 N -4.90 2.67 0.08 1.68 2.12 -1.26 -4.05 118.70 115.04 1hxm s GLU 207 Ca 0.69 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1hxm s GLU 207 Cb -0.17 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 1hxm s GLU 207 CO 0.60 0.44 -0.06 -1.01 -0.54 0.00 0.00 175.26 174.69 1hxm s HIS 208 N -1.92 0.76 -0.01 5.30 3.76 -1.02 -1.34 115.29 120.82 1hxm s HIS 208 Ca 0.30 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1hxm s HIS 208 Cb -0.09 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1hxm s HIS 208 CO 0.22 -0.18 -0.06 1.03 -0.85 0.00 0.00 174.74 174.90 1hxm s ARG 209 N -3.37 0.61 -0.42 1.40 0.52 -0.55 -0.74 118.95 116.41 1hxm s ARG 209 Ca 0.06 -0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.93 1hxm s ARG 209 Cb 0.03 -0.60 0.04 0.00 0.52 0.00 0.00 34.95 34.93 1hxm s ARG 209 CO -0.05 0.09 0.30 0.00 0.02 0.00 0.00 175.30 175.66 1hxm s ILE 211 N 1.63 4.93 -0.20 0.00 1.01 -0.58 0.08 121.20 128.08 1hxm s ILE 211 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1hxm s ILE 211 Cb -0.20 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1hxm s ILE 211 CO 0.08 0.22 -0.00 -0.69 0.00 0.00 0.00 174.94 174.55 1hxm s VAL 212 N 1.70 3.93 -0.28 2.92 1.01 0.63 -2.53 120.40 127.78 1hxm s VAL 212 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1hxm s VAL 212 Cb -0.16 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1hxm s VAL 212 CO 0.08 0.43 0.09 -0.60 0.00 0.00 0.00 175.10 175.10 1hxm s ARG 213 N 0.98 3.36 -0.07 2.72 6.06 -0.30 -0.08 118.95 131.63 1hxm s ARG 213 Ca 0.01 -0.68 -0.11 0.00 -2.50 0.00 0.00 55.73 52.45 1hxm s ARG 213 Cb -0.14 -3.39 0.02 0.00 0.06 0.00 0.00 34.95 31.50 1hxm s ARG 213 CO 0.02 -0.34 0.28 -1.58 -2.50 0.00 0.00 175.30 171.17 1hxm s HIS 214 N 1.57 -0.23 0.57 5.12 2.46 -1.26 -2.14 115.29 121.38 1hxm s HIS 214 Ca 0.05 0.51 0.28 0.00 0.47 0.00 0.00 55.06 56.37 1hxm s HIS 214 Cb -0.16 0.08 1.49 0.00 -0.13 0.00 0.00 32.58 33.86 1hxm s HIS 214 CO 0.04 -0.24 1.95 1.49 -2.47 0.00 0.00 174.74 175.51 1hxm h GLU 215 N 4.99 0.00 -0.16 2.88 4.81 -1.86 -2.74 114.58 122.50 1hxm h GLU 215 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1hxm h GLU 215 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1hxm h GLU 215 CO 0.36 0.00 -0.01 0.09 -0.73 0.00 0.00 179.01 178.71 1hxm n ASN 216 N -3.96 3.15 -4.63 1.04 3.02 -1.26 -4.88 115.26 107.74 1hxm n ASN 216 Ca 0.09 -3.11 -0.33 0.00 -0.03 0.00 0.00 54.58 51.20 1hxm n ASN 216 Cb 0.63 -0.50 0.13 0.00 -0.61 0.00 0.00 39.78 39.43 1hxm n ASN 216 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hxm n ASN 217 N -0.93 0.28 -4.76 6.41 3.02 -1.04 -3.87 115.26 114.37 1hxm n ASN 217 Ca 0.20 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 54.85 1hxm n ASN 217 Cb 0.80 -1.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.52 1hxm n ASN 217 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1hxm n LYS 218 N -3.13 2.70 -0.69 3.52 4.76 -1.26 -1.80 118.16 122.25 1hxm n LYS 218 Ca 0.12 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1hxm n LYS 218 Cb 0.51 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.99 1hxm n LYS 218 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1hxm n ASN 219 N 1.39 0.00 -0.36 4.39 3.02 -1.26 -3.46 115.26 118.97 1hxm n ASN 219 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.55 1hxm n ASN 219 Cb 0.38 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 38.34 1hxm n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxm n GLY 220 N -2.00 0.75 3.44 7.41 0.00 -0.75 -5.03 105.19 109.00 1hxm n GLY 220 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1hxm n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hxm s VAL 221 N -2.16 2.31 0.43 1.61 -7.23 -1.23 -4.96 120.40 109.17 1hxm s VAL 221 Ca 0.00 -2.34 -0.23 0.00 -1.81 0.00 0.00 61.98 57.60 1hxm s VAL 221 Cb 0.00 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.60 1hxm s VAL 221 CO 0.00 -0.42 0.80 0.47 -0.31 0.00 0.00 175.10 175.64 1hxm n ASP 222 N -0.51 0.29 -4.67 4.85 9.92 -1.26 -4.65 116.55 120.51 1hxm n ASP 222 Ca -0.06 0.96 -0.38 0.00 -0.53 0.00 0.00 54.79 54.78 1hxm n ASP 222 Cb 0.60 -1.25 -0.08 0.00 -0.64 0.00 0.00 41.12 39.75 1hxm n ASP 222 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1hxm s GLN 223 N -1.88 4.17 -0.36 -1.24 0.74 0.88 -4.93 119.66 117.03 1hxm s GLN 223 Ca 0.64 0.15 -0.09 0.00 0.05 0.00 0.00 55.36 56.11 1hxm s GLN 223 Cb -0.57 -3.53 0.04 0.00 1.10 0.00 0.00 33.01 30.05 1hxm s GLN 223 CO 0.56 -0.01 0.16 -2.00 -0.55 0.00 0.00 175.29 173.46 1hxm s GLU 224 N 1.24 2.70 -0.27 1.67 2.12 -1.26 -0.27 118.70 124.62 1hxm s GLU 224 Ca 0.18 -1.17 -0.14 0.00 0.36 0.00 0.00 54.97 54.20 1hxm s GLU 224 Cb -0.15 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1hxm s GLU 224 CO 0.07 -0.71 0.33 0.42 -0.54 0.00 0.00 175.26 174.84 1hxm s ILE 225 N 1.47 5.20 -0.27 -3.70 1.01 0.11 -4.95 121.20 120.07 1hxm s ILE 225 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 1hxm s ILE 225 Cb -0.20 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1hxm s ILE 225 CO 0.04 0.17 0.73 -0.63 0.00 0.00 0.00 174.94 175.25 1hxm s ILE 226 N 2.00 4.89 -0.33 2.92 1.01 -1.26 -0.21 121.20 130.22 1hxm s ILE 226 Ca 0.13 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.92 1hxm s ILE 226 Cb -0.16 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1hxm s ILE 226 CO 0.10 -0.09 0.16 -0.36 0.00 0.00 0.00 174.94 174.75 1hxm s PHE 227 N 2.73 3.20 1.00 3.97 0.08 0.08 -4.99 117.98 124.04 1hxm s PHE 227 Ca 0.30 -0.81 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 1hxm s PHE 227 Cb -0.15 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1hxm s PHE 227 CO 0.10 -0.55 -0.12 -2.30 -0.10 0.00 0.00 175.22 172.24 1hxm n PRO 228 N 4.96 -0.42 0.00 0.24 -0.02 -1.26 -2.42 135.00 136.08 1hxm n PRO 228 Ca -0.13 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1hxm n PRO 228 Cb 0.48 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1hxm n PRO 228 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hxm n PRO 229 N -0.38 0.00 -0.43 0.52 -0.04 -1.26 -4.56 135.00 128.85 1hxm n PRO 229 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1hxm n PRO 229 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1hxm n PRO 229 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57