#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 -1.60 3.51 0.00 0.00 -1.25 -4.95 105.19 100.91 1hxm n GLY 2 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.72 -0.44 -0.09 1.61 0.00 0.15 -4.92 115.29 107.89 1hxm s HIS 3 Ca 0.72 0.20 -0.03 0.00 -3.00 0.00 0.00 55.06 52.94 1hxm s HIS 3 Cb -0.02 0.58 -0.04 0.00 -4.00 0.00 0.00 32.58 29.10 1hxm s HIS 3 CO 0.51 -0.85 0.05 -0.51 -1.00 0.00 0.00 174.74 172.94 1hxm s LEU 4 N -2.74 3.87 -0.01 5.38 1.43 -1.26 -1.58 118.68 123.77 1hxm s LEU 4 Ca 0.04 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1hxm s LEU 4 Cb -0.02 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1hxm s LEU 4 CO -0.09 0.38 -0.24 -1.61 0.23 0.00 0.00 176.35 175.03 1hxm s GLU 5 N -0.99 2.14 -0.49 1.70 2.02 0.11 -4.44 118.70 118.74 1hxm s GLU 5 Ca 0.15 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.26 1hxm s GLU 5 Cb -0.12 -2.10 0.16 0.00 0.10 0.00 0.00 34.13 32.18 1hxm s GLU 5 CO 0.04 0.56 0.35 -0.65 0.02 0.00 0.00 175.26 175.58 1hxm s GLN 6 N -0.74 1.33 0.33 1.61 -0.21 -1.26 -0.36 119.66 120.36 1hxm s GLN 6 Ca 0.11 -2.34 0.11 0.00 0.02 0.00 0.00 55.36 53.26 1hxm s GLN 6 Cb -0.10 -2.07 0.93 0.00 1.00 0.00 0.00 33.01 32.77 1hxm s GLN 6 CO -0.00 -1.31 1.73 -1.35 -2.12 0.00 0.00 175.29 172.24 1hxm h PRO 7 N 5.87 0.52 -5.95 2.91 0.11 -1.94 -3.38 132.00 130.15 1hxm h PRO 7 Ca 0.17 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.77 1hxm h PRO 7 Cb 0.88 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 1hxm h PRO 7 CO 0.47 0.35 1.30 -0.65 -0.21 0.00 0.00 178.00 179.25 1hxm s GLN 8 N -5.73 2.61 0.35 1.05 -0.21 -1.26 -4.78 119.66 111.68 1hxm s GLN 8 Ca -0.10 0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.84 1hxm s GLN 8 Cb 0.27 -4.46 0.66 0.00 1.00 0.00 0.00 33.01 30.48 1hxm s GLN 8 CO 0.80 -2.81 1.98 0.82 -2.12 0.00 0.00 175.29 173.96 1hxm h ILE 9 N 6.93 1.10 -2.89 1.08 1.08 -1.86 -3.40 117.51 119.55 1hxm h ILE 9 Ca -0.22 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1hxm h ILE 9 Cb 1.15 0.18 -0.13 0.00 -3.07 0.00 0.00 36.82 34.95 1hxm h ILE 9 CO 1.22 0.15 0.18 -0.94 -0.69 0.00 0.00 178.15 178.08 1hxm s SER 10 N -6.32 -0.55 -0.17 1.72 1.04 -1.26 -1.93 113.70 106.23 1hxm s SER 10 Ca -0.10 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 1hxm s SER 10 Cb 0.18 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.94 1hxm s SER 10 CO 0.77 -0.91 0.00 -0.55 0.98 0.00 0.00 173.24 173.54 1hxm s SER 11 N -2.53 2.73 -0.15 7.02 0.15 0.87 -4.73 113.70 117.07 1hxm s SER 11 Ca -0.01 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.81 1hxm s SER 11 Cb -0.01 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.57 1hxm s SER 11 CO -0.10 -0.25 0.33 -0.89 1.20 0.00 0.00 173.24 173.53 1hxm s THR 12 N 1.79 5.28 0.03 6.45 2.01 -1.26 -0.74 115.64 129.20 1hxm s THR 12 Ca 0.00 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 1hxm s THR 12 Cb -0.16 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1hxm s THR 12 CO -0.07 0.39 0.05 -0.54 -0.69 0.00 0.00 174.62 173.76 1hxm s LYS 13 N 0.41 0.48 0.21 4.92 -0.14 0.98 -4.95 119.74 121.65 1hxm s LYS 13 Ca 0.18 -0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 54.10 1hxm s LYS 13 Cb -0.13 0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 1hxm s LYS 13 CO 0.05 -0.10 0.41 0.95 -0.76 0.00 0.00 175.35 175.90 1hxm s THR 14 N -2.11 5.18 0.52 2.17 -4.23 -1.26 -1.94 115.64 113.97 1hxm s THR 14 Ca -0.09 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 59.96 1hxm s THR 14 Cb -0.04 -3.73 -0.14 0.00 1.34 0.00 0.00 72.50 69.93 1hxm s THR 14 CO -0.03 -0.18 0.01 0.18 -0.54 0.00 0.00 174.62 174.06 1hxm n LEU 15 N -0.65 -2.75 0.00 4.79 4.32 -1.20 -2.09 117.00 119.42 1hxm n LEU 15 Ca -0.04 0.67 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 1hxm n LEU 15 Cb 0.54 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1hxm n LEU 15 CO 0.48 -4.44 0.00 -1.20 -1.22 0.00 0.00 177.39 171.02 1hxm n SER 16 N 2.08 0.00 -4.36 -1.43 7.64 -0.57 -4.95 113.62 112.03 1hxm n SER 16 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 1hxm n SER 16 Cb 0.47 -0.37 0.18 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.41 -0.16 1.43 3.01 -0.89 -4.17 119.74 119.37 1hxm s LYS 17 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 55.97 54.98 1hxm s LYS 17 Cb 0.00 -1.78 0.02 0.00 -1.01 0.00 0.00 37.83 35.06 1hxm s LYS 17 CO 0.00 -2.64 -0.20 -0.08 0.51 0.00 0.00 175.35 172.94 1hxm s THR 18 N -3.38 1.98 0.19 2.17 -1.32 -1.26 -0.23 115.64 113.80 1hxm s THR 18 Ca 0.68 -0.91 -0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1hxm s THR 18 Cb -0.10 -1.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 1hxm s THR 18 CO 0.54 0.53 0.41 0.00 -2.21 0.00 0.00 174.62 173.89 1hxm s ALA 19 N 1.10 3.79 -0.22 11.08 0.00 0.19 -4.91 121.76 132.78 1hxm s ALA 19 Ca -0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1hxm s ALA 19 Cb -0.14 -2.09 0.07 0.00 0.00 0.00 0.00 23.12 20.96 1hxm s ALA 19 CO -0.08 0.49 0.06 1.03 0.00 0.00 0.00 175.76 177.26 1hxm s ARG 20 N -3.12 0.56 -0.21 0.00 0.52 -1.26 0.36 118.95 115.80 1hxm s ARG 20 Ca 0.40 -0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1hxm s ARG 20 Cb -0.11 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 1hxm s ARG 20 CO 0.28 -0.75 0.12 -0.51 0.02 0.00 0.00 175.30 174.45 1hxm s LEU 21 N 1.87 4.02 0.19 2.53 1.02 0.28 -4.94 118.68 123.64 1hxm s LEU 21 Ca 0.02 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.33 1hxm s LEU 21 Cb -0.17 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 1hxm s LEU 21 CO -0.14 0.13 0.32 -1.61 0.02 0.00 0.00 176.35 175.07 1hxm s GLU 22 N 0.64 3.44 -0.08 1.70 2.02 -1.26 -0.18 118.70 124.98 1hxm s GLU 22 Ca 0.06 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1hxm s GLU 22 Cb -0.12 -2.93 0.04 0.00 0.10 0.00 0.00 34.13 31.22 1hxm s GLU 22 CO 0.01 0.48 0.15 0.00 0.02 0.00 0.00 175.26 175.91 1hxm s VAL 24 N 2.26 2.81 0.21 0.00 -7.23 0.51 0.06 120.40 119.01 1hxm s VAL 24 Ca 0.03 -0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1hxm s VAL 24 Cb -0.12 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 1hxm s VAL 24 CO -0.05 0.25 0.59 0.68 -0.31 0.00 0.00 175.10 176.26 1hxm s VAL 25 N 1.33 4.84 -0.13 1.32 -7.23 -0.67 -0.71 120.40 119.15 1hxm s VAL 25 Ca 0.01 0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 60.81 1hxm s VAL 25 Cb -0.16 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.14 1hxm s VAL 25 CO -0.05 0.05 0.33 -0.94 -0.31 0.00 0.00 175.10 174.17 1hxm s SER 26 N -2.06 -0.35 0.00 4.85 1.04 -0.61 -4.81 113.70 111.75 1hxm s SER 26 Ca 0.45 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1hxm s SER 26 Cb -0.13 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1hxm s SER 26 CO 0.20 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1hxm n GLY 27 N 3.32 1.63 3.20 7.32 0.00 -1.26 -0.67 105.19 118.72 1hxm n GLY 27 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.76 1.78 -0.39 -0.61 -1.09 -1.26 -3.75 121.20 113.11 1hxm s ILE 28 Ca 0.00 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.23 1hxm s ILE 28 Cb 0.00 -1.52 -0.00 0.00 -1.58 0.00 0.00 42.46 39.36 1hxm s ILE 28 CO 0.00 0.50 1.56 0.28 -1.23 0.00 0.00 174.94 176.05 1hxm s THR 29 N 0.04 3.74 0.00 2.92 -1.32 -1.26 -4.93 115.64 114.83 1hxm s THR 29 Ca -0.07 0.74 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 1hxm s THR 29 Cb -0.14 -4.01 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 1hxm s THR 29 CO 0.04 -0.66 0.98 -0.38 -2.21 0.00 0.00 174.62 172.39 1hxm n ILE 30 N 7.20 0.00 -1.53 5.08 -0.00 -1.26 -4.53 119.36 124.32 1hxm n ILE 30 Ca 0.19 1.48 -0.37 0.00 -0.00 0.00 0.00 62.75 64.04 1hxm n ILE 30 Cb 0.48 -2.46 -0.07 0.00 -0.00 0.00 0.00 39.64 37.59 1hxm n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1hxm n SER 31 N -1.96 1.67 0.00 4.38 7.64 -1.26 -2.68 113.62 121.41 1hxm n SER 31 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1hxm n SER 31 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1hxm n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hxm n ALA 32 N 14.30 0.00 -2.51 -0.43 0.00 -1.26 -5.13 120.51 125.47 1hxm n ALA 32 Ca 0.46 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.68 1hxm n ALA 32 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1hxm n ALA 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hxm s THR 33 N 0.00 3.29 0.35 0.00 2.01 -1.09 -4.74 115.64 115.46 1hxm s THR 33 Ca 0.00 -1.53 -0.05 0.00 0.31 0.00 0.00 61.69 60.43 1hxm s THR 33 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1hxm s THR 33 CO 0.00 -0.18 0.63 -0.44 -0.69 0.00 0.00 174.62 173.94 1hxm s SER 34 N -3.92 6.39 -0.22 3.53 0.01 -1.26 -4.54 113.70 113.69 1hxm s SER 34 Ca 0.39 0.77 -0.15 0.00 1.31 0.00 0.00 55.95 58.28 1hxm s SER 34 Cb -0.04 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1hxm s SER 34 CO 0.25 -0.32 0.34 -0.69 0.41 0.00 0.00 173.24 173.23 1hxm s VAL 35 N -2.30 5.23 0.20 3.43 1.01 -1.01 -4.44 120.40 122.53 1hxm s VAL 35 Ca 0.45 0.58 0.05 0.00 0.00 0.00 0.00 61.98 63.06 1hxm s VAL 35 Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1hxm s VAL 35 CO 0.34 0.26 0.22 -0.31 0.00 0.00 0.00 175.10 175.61 1hxm s TYR 36 N 1.32 3.25 -0.10 5.22 2.02 0.13 -1.57 117.35 127.61 1hxm s TYR 36 Ca 0.16 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1hxm s TYR 36 Cb -0.15 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1hxm s TYR 36 CO 0.07 0.51 -0.01 -1.58 -1.57 0.00 0.00 175.55 172.97 1hxm s TRP 37 N -1.91 0.94 0.06 2.71 0.52 0.31 -1.29 118.94 120.28 1hxm s TRP 37 Ca 0.33 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 56.04 1hxm s TRP 37 Cb -0.09 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1hxm s TRP 37 CO 0.26 -0.43 0.03 0.71 0.02 0.00 0.00 176.95 177.54 1hxm s TYR 38 N 1.88 3.09 -0.12 -1.98 2.02 0.20 -0.67 117.35 121.77 1hxm s TYR 38 Ca 0.04 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1hxm s TYR 38 Cb -0.13 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1hxm s TYR 38 CO -0.06 0.49 -0.21 0.50 -1.57 0.00 0.00 175.55 174.70 1hxm s ARG 39 N -2.12 2.89 -0.60 -0.62 3.52 0.93 -0.06 118.95 122.88 1hxm s ARG 39 Ca 0.25 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1hxm s ARG 39 Cb -0.12 -2.30 0.15 0.00 -1.56 0.00 0.00 34.95 31.13 1hxm s ARG 39 CO 0.17 0.03 0.39 -2.00 -0.81 0.00 0.00 175.30 173.09 1hxm s GLU 40 N 0.71 2.41 0.77 5.12 2.12 0.17 -1.82 118.70 128.18 1hxm s GLU 40 Ca -0.10 -2.57 -0.14 0.00 0.36 0.00 0.00 54.97 52.52 1hxm s GLU 40 Cb -0.16 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.67 1hxm s GLU 40 CO 0.01 -1.16 1.19 0.50 -0.54 0.00 0.00 175.26 175.27 1hxm s ARG 41 N -0.14 1.89 0.19 4.30 6.06 -1.26 -1.55 118.95 128.43 1hxm s ARG 41 Ca 0.17 1.70 -0.30 0.00 -2.50 0.00 0.00 55.73 54.79 1hxm s ARG 41 Cb -0.22 -1.81 -0.09 0.00 0.06 0.00 0.00 34.95 32.90 1hxm s ARG 41 CO -0.03 -2.01 1.31 -1.25 -2.50 0.00 0.00 175.30 170.82 1hxm s PRO 42 N -4.12 4.38 0.00 5.12 0.04 -1.26 -2.00 135.00 137.17 1hxm s PRO 42 Ca 0.72 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1hxm s PRO 42 Cb -0.27 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1hxm s PRO 42 CO 0.49 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1hxm n GLY 43 N 2.47 2.73 3.60 0.56 0.00 -1.26 -5.00 105.19 108.30 1hxm n GLY 43 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.24 -0.91 -3.95 1.61 1.02 -0.85 -5.10 120.64 112.22 1hxm n GLU 44 Ca 0.00 -2.08 -0.27 0.00 -0.02 0.00 0.00 57.16 54.79 1hxm n GLU 44 Cb 0.00 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.49 5.30 0.25 2.62 0.11 -1.26 -4.72 120.40 119.20 1hxm s VAL 45 Ca 0.68 -0.66 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 1hxm s VAL 45 Cb -0.02 -3.70 -0.12 0.00 -1.53 0.00 0.00 36.38 31.01 1hxm s VAL 45 CO 0.47 -0.05 1.66 -0.63 -3.33 0.00 0.00 175.10 173.22 1hxm s ILE 46 N -1.70 2.04 0.02 7.04 1.01 -1.26 -4.56 121.20 123.79 1hxm s ILE 46 Ca 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1hxm s ILE 46 Cb -0.11 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1hxm s ILE 46 CO 0.28 0.00 -0.03 -1.58 0.00 0.00 0.00 174.94 173.62 1hxm s GLN 47 N 0.38 0.36 0.38 2.79 0.74 -0.76 -4.96 119.66 118.58 1hxm s GLN 47 Ca 0.69 -0.70 -0.28 0.00 0.05 0.00 0.00 55.36 55.13 1hxm s GLN 47 Cb -0.49 0.13 -0.11 0.00 1.10 0.00 0.00 33.01 33.64 1hxm s GLN 47 CO 0.40 -0.06 1.45 0.12 -0.55 0.00 0.00 175.29 176.64 1hxm s PHE 48 N -1.82 2.66 0.00 1.67 5.99 -1.26 -0.05 117.98 125.16 1hxm s PHE 48 Ca -0.13 1.22 0.00 0.00 0.00 0.00 0.00 56.93 58.03 1hxm s PHE 48 Cb -0.07 -3.95 0.00 0.00 0.00 0.00 0.00 43.02 39.00 1hxm s PHE 48 CO -0.02 -2.78 0.00 -0.11 -0.00 0.00 0.00 175.22 172.31 1hxm n LEU 49 N 0.45 0.00 -3.99 6.12 7.94 0.15 -4.64 117.00 123.03 1hxm n LEU 49 Ca 0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 1hxm n LEU 49 Cb 0.40 -0.09 -0.07 0.00 0.53 0.00 0.00 43.42 44.20 1hxm n LEU 49 CO 0.62 -0.47 0.05 0.68 -1.11 0.00 0.00 177.39 177.16 1hxm s VAL 50 N -0.93 0.03 -0.10 1.96 -7.23 -1.07 -0.47 120.40 112.59 1hxm s VAL 50 Ca 0.00 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.50 1hxm s VAL 50 Cb 0.00 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1hxm s VAL 50 CO 0.00 -0.14 0.57 -0.94 -0.31 0.00 0.00 175.10 174.28 1hxm s SER 51 N -3.00 -0.54 -0.17 4.85 1.04 -0.44 -0.53 113.70 114.91 1hxm s SER 51 Ca 0.21 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.37 1hxm s SER 51 Cb 0.02 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.86 1hxm s SER 51 CO 0.05 -0.45 -0.18 -0.51 0.98 0.00 0.00 173.24 173.13 1hxm s ILE 52 N -0.75 1.87 0.61 -1.02 2.07 -0.61 -1.73 121.20 121.63 1hxm s ILE 52 Ca -0.08 -0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 58.24 1hxm s ILE 52 Cb -0.03 -1.71 0.15 0.00 0.13 0.00 0.00 42.46 41.00 1hxm s ILE 52 CO 0.06 0.51 0.57 -1.20 -1.91 0.00 0.00 174.94 172.97 1hxm n SER 53 N 4.67 -1.33 0.10 4.50 7.64 -0.73 -2.40 113.62 126.07 1hxm n SER 53 Ca -0.19 -0.90 -0.23 0.00 1.01 0.00 0.00 58.87 58.56 1hxm n SER 53 Cb 0.50 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1hxm n SER 53 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1hxm h TYR 54 N -2.02 0.93 -0.82 1.43 -0.00 -1.85 -3.26 116.97 111.38 1hxm h TYR 54 Ca -0.21 -0.62 0.01 0.00 -0.00 0.00 0.00 58.73 57.91 1hxm h TYR 54 Cb 0.63 -0.06 -0.04 0.00 -0.00 0.00 0.00 36.73 37.26 1hxm h TYR 54 CO 0.00 1.46 0.54 0.38 -0.00 0.00 0.00 178.16 180.55 1hxm h ASP 55 N 0.13 0.93 0.00 0.10 -0.00 -1.95 -3.46 116.42 112.17 1hxm h ASP 55 Ca -0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 1hxm h ASP 55 Cb 1.92 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 41.02 1hxm h ASP 55 CO 0.23 0.67 0.00 0.61 -0.00 0.00 0.00 179.24 180.76 1hxm n GLY 56 N -1.41 0.55 3.77 7.15 0.00 -1.23 -5.13 105.19 108.89 1hxm n GLY 56 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 3.33 -0.04 2.61 -4.23 -1.26 -4.79 115.64 110.34 1hxm s THR 57 Ca 0.00 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1hxm s THR 57 Cb 0.00 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.93 1hxm s THR 57 CO 0.00 -0.54 0.03 -0.69 -0.54 0.00 0.00 174.62 172.88 1hxm s VAL 58 N -2.84 0.01 0.02 2.29 1.01 -1.26 -1.78 120.40 117.85 1hxm s VAL 58 Ca 0.62 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1hxm s VAL 58 Cb -0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1hxm s VAL 58 CO 0.54 0.16 -0.07 0.00 0.00 0.00 0.00 175.10 175.73 1hxm s ARG 59 N 1.63 2.51 0.10 2.72 1.70 -0.71 -4.96 118.95 121.93 1hxm s ARG 59 Ca -0.02 -0.76 0.09 0.00 -0.47 0.00 0.00 55.73 54.58 1hxm s ARG 59 Cb -0.13 -2.48 -0.03 0.00 -0.57 0.00 0.00 34.95 31.74 1hxm s ARG 59 CO -0.03 0.59 -0.24 -1.59 -1.08 0.00 0.00 175.30 172.95 1hxm s LYS 60 N -1.51 1.38 0.90 3.89 -2.85 -1.26 -1.32 119.74 118.97 1hxm s LYS 60 Ca 0.18 -1.20 -0.12 0.00 -1.00 0.00 0.00 55.97 53.82 1hxm s LYS 60 Cb -0.11 -1.70 0.07 0.00 -2.06 0.00 0.00 37.83 34.03 1hxm s LYS 60 CO 0.08 0.41 0.77 -1.91 0.10 0.00 0.00 175.35 174.80 1hxm n GLU 61 N 1.22 -0.24 -1.91 1.78 4.07 0.38 -4.89 120.64 121.05 1hxm n GLU 61 Ca -0.18 -0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.49 1hxm n GLU 61 Cb 0.53 -2.10 -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 -2.19 6.50 0.00 4.31 0.15 -1.26 -2.56 113.70 118.65 1hxm s SER 62 Ca 0.63 2.89 0.00 0.00 0.70 0.00 0.00 55.95 60.17 1hxm s SER 62 Cb -0.24 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1hxm s SER 62 CO 0.61 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1hxm n GLY 63 N 1.03 3.18 3.68 9.45 0.00 -1.26 -5.01 105.19 116.26 1hxm n GLY 63 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.65 0.40 -0.81 -0.61 2.08 -1.06 -4.92 119.36 112.80 1hxm n ILE 64 Ca 0.00 -0.07 -0.28 0.00 0.56 0.00 0.00 62.75 62.95 1hxm n ILE 64 Cb 0.00 -1.75 0.22 0.00 -0.75 0.00 0.00 39.64 37.36 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 3.10 -0.34 0.44 0.38 0.04 -1.26 -5.01 135.00 132.36 1hxm s PRO 65 Ca 0.89 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 1hxm s PRO 65 Cb -0.70 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1hxm s PRO 65 CO 0.48 -3.30 0.99 0.45 0.04 0.00 0.00 177.00 175.66 1hxm s SER 66 N -2.91 6.74 -1.68 6.66 0.15 -1.26 -4.04 113.70 117.36 1hxm s SER 66 Ca 0.67 1.82 -0.18 0.00 0.70 0.00 0.00 55.95 58.97 1hxm s SER 66 Cb -0.22 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.68 1hxm s SER 66 CO 0.62 -0.50 0.80 0.61 1.20 0.00 0.00 173.24 175.96 1hxm n GLY 67 N -0.31 -0.45 0.40 9.45 0.00 -1.26 -4.86 105.19 108.17 1hxm n GLY 67 Ca 0.07 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.41 0.41 -4.24 1.61 3.00 -1.26 -4.82 118.16 108.45 1hxm n LYS 68 Ca 0.06 0.18 -0.26 0.00 -0.00 0.00 0.00 58.31 58.29 1hxm n LYS 68 Cb 0.50 -1.19 -0.08 0.00 0.00 0.00 0.00 35.03 34.26 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 -2.37 2.76 -0.08 5.64 0.08 -1.26 -1.30 117.98 121.45 1hxm s PHE 69 Ca -0.27 -0.18 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 1hxm s PHE 69 Cb 0.10 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1hxm s PHE 69 CO 0.34 0.53 0.22 -1.21 -0.10 0.00 0.00 175.22 175.00 1hxm s GLU 70 N -3.03 0.26 0.07 0.44 2.02 -0.64 -4.96 118.70 112.85 1hxm s GLU 70 Ca 0.27 0.31 0.05 0.00 0.02 0.00 0.00 54.97 55.62 1hxm s GLU 70 Cb -0.09 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 1hxm s GLU 70 CO 0.18 -0.03 -0.13 0.08 0.02 0.00 0.00 175.26 175.37 1hxm s VAL 71 N 0.13 1.04 0.22 2.63 1.01 -1.26 -0.03 120.40 124.14 1hxm s VAL 71 Ca -0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 1hxm s VAL 71 Cb -0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1hxm s VAL 71 CO 0.00 -0.25 0.42 1.51 0.00 0.00 0.00 175.10 176.78 1hxm s ASP 72 N -1.74 -0.07 -0.34 3.32 -4.77 -1.19 -4.98 116.67 106.90 1hxm s ASP 72 Ca -0.03 -0.87 0.02 0.00 -3.30 0.00 0.00 52.55 48.37 1hxm s ASP 72 Cb -0.10 0.54 0.15 0.00 -1.09 0.00 0.00 42.92 42.42 1hxm s ASP 72 CO 0.02 -1.05 0.35 0.00 0.70 0.00 0.00 175.17 175.19 1hxm s ARG 73 N -3.99 0.51 -0.57 2.11 1.04 -1.26 -2.77 118.95 114.02 1hxm s ARG 73 Ca 0.20 -0.53 -0.28 0.00 -1.04 0.00 0.00 55.73 54.08 1hxm s ARG 73 Cb 0.01 -0.66 0.02 0.00 -2.04 0.00 0.00 34.95 32.27 1hxm s ARG 73 CO 0.05 -1.12 1.33 0.42 -0.04 0.00 0.00 175.30 175.94 1hxm s ILE 74 N 1.85 3.87 0.24 4.99 1.09 -0.45 -4.89 121.20 127.91 1hxm s ILE 74 Ca 0.14 0.76 0.12 0.00 -1.10 0.00 0.00 60.65 60.56 1hxm s ILE 74 Cb -0.15 -4.55 -0.00 0.00 -1.06 0.00 0.00 42.46 36.70 1hxm s ILE 74 CO -0.16 -1.24 1.62 1.55 -0.10 0.00 0.00 174.94 176.61 1hxm h PRO 75 N 10.47 0.00 -0.46 2.79 0.13 -1.96 -1.87 132.00 141.10 1hxm h PRO 75 Ca -0.26 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 1hxm h PRO 75 Cb 1.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1hxm h PRO 75 CO 1.18 0.58 0.17 0.93 -0.23 0.00 0.00 178.00 180.64 1hxm h GLU 76 N 0.00 0.34 -0.80 0.86 3.07 -1.96 -2.03 114.58 114.06 1hxm h GLU 76 Ca -0.01 -0.02 -0.39 0.00 -0.50 0.00 0.00 59.36 58.45 1hxm h GLU 76 Cb 1.08 -0.08 -0.23 0.00 -0.84 0.00 0.00 28.75 28.68 1hxm h GLU 76 CO 0.08 0.23 0.42 0.25 -1.40 0.00 0.00 179.01 178.59 1hxm n THR 77 N -4.99 3.01 -3.80 1.13 -2.24 -1.21 -4.97 114.28 101.20 1hxm n THR 77 Ca 0.04 -2.06 -0.22 0.00 -2.27 0.00 0.00 64.05 59.54 1hxm n THR 77 Cb 0.16 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1hxm n THR 77 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hxm n SER 78 N -0.97 -1.50 -3.78 3.42 7.64 -0.76 -4.91 113.62 112.76 1hxm n SER 78 Ca 0.50 -0.64 -0.13 0.00 1.01 0.00 0.00 58.87 59.62 1hxm n SER 78 Cb 1.48 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 63.81 1hxm n SER 78 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1hxm s THR 79 N -4.16 0.03 0.04 0.44 -1.32 -0.74 -1.68 115.64 108.24 1hxm s THR 79 Ca 0.19 -0.24 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1hxm s THR 79 Cb -0.11 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 1hxm s THR 79 CO 0.48 -0.13 -0.24 -0.55 -2.21 0.00 0.00 174.62 171.97 1hxm s SER 80 N -0.51 3.36 -0.11 8.08 0.15 0.11 -1.33 113.70 123.44 1hxm s SER 80 Ca -0.06 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1hxm s SER 80 Cb -0.04 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1hxm s SER 80 CO 0.02 0.27 -0.09 -0.89 1.20 0.00 0.00 173.24 173.74 1hxm s THR 81 N -0.82 1.11 -0.19 6.45 2.01 -1.11 -0.45 115.64 122.64 1hxm s THR 81 Ca 0.12 -0.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 1hxm s THR 81 Cb -0.10 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1hxm s THR 81 CO 0.03 0.38 0.50 -0.22 -0.69 0.00 0.00 174.62 174.61 1hxm s LEU 82 N 1.53 4.17 -0.17 4.42 2.96 0.75 -3.20 118.68 129.14 1hxm s LEU 82 Ca 0.02 0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1hxm s LEU 82 Cb -0.13 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1hxm s LEU 82 CO -0.07 -0.14 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.92 1hxm s THR 83 N 1.43 4.03 -0.28 3.68 2.01 0.96 -0.56 115.64 126.90 1hxm s THR 83 Ca 0.24 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1hxm s THR 83 Cb -0.15 -2.78 0.05 0.00 0.01 0.00 0.00 72.50 69.63 1hxm s THR 83 CO 0.10 0.48 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 1hxm s ILE 84 N 0.46 2.70 0.52 1.82 1.01 0.16 -1.63 121.20 126.25 1hxm s ILE 84 Ca -0.02 -1.45 -0.12 0.00 0.00 0.00 0.00 60.65 59.06 1hxm s ILE 84 Cb -0.14 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 1hxm s ILE 84 CO 0.02 -0.06 0.93 -1.00 0.00 0.00 0.00 174.94 174.83 1hxm s HIS 85 N 1.20 3.53 -0.95 3.97 3.76 -0.42 -0.64 115.29 125.75 1hxm s HIS 85 Ca -0.06 1.23 -0.21 0.00 -0.15 0.00 0.00 55.06 55.87 1hxm s HIS 85 Cb -0.20 -2.63 0.03 0.00 1.11 0.00 0.00 32.58 30.89 1hxm s HIS 85 CO -0.03 -0.41 0.39 -1.71 -0.85 0.00 0.00 174.74 172.13 1hxm n ASN 86 N -2.02 -2.22 -4.57 1.40 5.15 -1.20 -4.80 115.26 107.01 1hxm n ASN 86 Ca 0.05 -0.96 -0.39 0.00 -0.60 0.00 0.00 54.58 52.67 1hxm n ASN 86 Cb 0.54 -1.16 0.03 0.00 -0.53 0.00 0.00 39.78 38.66 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 -3.93 2.78 -4.08 3.44 3.14 0.68 -4.65 118.33 115.72 1hxm n VAL 87 Ca -0.12 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.63 1hxm n VAL 87 Cb 0.43 -1.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.17 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 -2.25 1.80 0.26 1.45 -1.05 -1.26 -1.52 118.70 116.13 1hxm s GLU 88 Ca 0.69 -1.66 -0.02 0.00 -0.15 0.00 0.00 54.97 53.82 1hxm s GLU 88 Cb -0.48 0.44 0.44 0.00 -0.44 0.00 0.00 34.13 34.08 1hxm s GLU 88 CO 0.53 -0.74 1.83 0.87 0.95 0.00 0.00 175.26 178.70 1hxm h LYS 89 N 2.17 0.89 0.00 -4.83 1.79 -1.95 0.13 116.57 114.77 1hxm h LYS 89 Ca -0.28 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1hxm h LYS 89 Cb 1.24 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1hxm h LYS 89 CO 0.39 0.59 0.00 0.00 -1.08 0.00 0.00 179.45 179.35 1hxm n GLN 90 N -4.66 0.53 0.00 3.15 10.64 -1.26 -1.67 117.38 124.11 1hxm n GLN 90 Ca 0.15 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.44 1hxm n GLN 90 Cb 0.28 -1.26 0.04 0.00 -0.86 0.00 0.00 30.24 28.44 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 -0.76 2.19 -4.67 2.61 10.43 0.03 -4.89 116.55 121.50 1hxm n ASP 91 Ca 0.07 -1.59 -0.43 0.00 2.57 0.00 0.00 54.79 55.41 1hxm n ASP 91 Cb 0.03 0.36 -0.02 0.00 1.84 0.00 0.00 41.12 43.32 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 -2.37 3.93 0.00 0.53 1.01 -0.67 -4.84 121.20 118.79 1hxm s ILE 92 Ca 0.21 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1hxm s ILE 92 Cb 0.19 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1hxm s ILE 92 CO 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1hxm n ALA 93 N 6.47 0.00 -2.75 9.38 0.00 -1.23 -4.21 120.51 128.17 1hxm n ALA 93 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1hxm n ALA 93 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1hxm n ALA 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hxm s THR 94 N -2.00 5.18 -0.18 0.00 2.01 -0.60 -1.53 115.64 118.52 1hxm s THR 94 Ca 0.00 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1hxm s THR 94 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1hxm s THR 94 CO 0.00 0.41 0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 1hxm s TYR 95 N 0.63 3.20 0.04 4.92 2.02 0.10 0.41 117.35 128.65 1hxm s TYR 95 Ca 0.06 -0.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.81 1hxm s TYR 95 Cb -0.12 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1hxm s TYR 95 CO 0.01 0.08 -0.23 0.71 -1.57 0.00 0.00 175.55 174.55 1hxm s TYR 96 N 0.48 2.43 0.04 2.71 2.02 0.92 -0.86 117.35 125.08 1hxm s TYR 96 Ca 0.02 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1hxm s TYR 96 Cb -0.13 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1hxm s TYR 96 CO 0.01 0.17 -0.12 0.00 -1.57 0.00 0.00 175.55 174.04 1hxm s ALA 98 N -1.01 -0.75 0.21 0.00 0.00 -0.42 0.09 121.76 119.88 1hxm s ALA 98 Ca 0.17 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1hxm s ALA 98 Cb -0.11 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1hxm s ALA 98 CO 0.08 -0.61 0.52 -0.48 0.00 0.00 0.00 175.76 175.27 1hxm s LEU 99 N -2.81 0.14 -0.27 0.00 2.34 -0.17 0.18 118.68 118.08 1hxm s LEU 99 Ca 0.03 -0.60 -0.17 0.00 0.06 0.00 0.00 54.13 53.45 1hxm s LEU 99 Cb 0.03 2.08 -0.03 0.00 -0.56 0.00 0.00 46.19 47.71 1hxm s LEU 99 CO -0.12 -1.09 0.49 0.26 -1.06 0.00 0.00 176.35 174.83 1hxm s TRP 100 N -3.91 3.25 -0.25 3.48 0.52 -1.26 0.07 118.94 120.84 1hxm s TRP 100 Ca 0.12 0.54 -0.11 0.00 0.02 0.00 0.00 56.10 56.67 1hxm s TRP 100 Cb -0.01 -2.72 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 1hxm s TRP 100 CO 0.01 -0.31 0.18 -2.00 0.02 0.00 0.00 176.95 174.85 1hxm s GLU 101 N 2.28 4.05 0.51 4.98 2.12 0.75 -4.92 118.70 128.48 1hxm s GLU 101 Ca 0.20 -0.25 -0.20 0.00 0.36 0.00 0.00 54.97 55.07 1hxm s GLU 101 Cb -0.16 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 1hxm s GLU 101 CO 0.10 0.01 1.12 0.00 -0.54 0.00 0.00 175.26 175.95 1hxm s ALA 102 N 1.20 2.79 0.00 6.30 0.00 -1.26 -1.97 121.76 128.82 1hxm s ALA 102 Ca 0.08 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1hxm s ALA 102 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1hxm s ALA 102 CO 0.06 -0.67 0.00 1.04 0.00 0.00 0.00 175.76 176.19 1hxm n GLN 103 N -1.05 0.00 0.03 0.00 1.13 -1.12 -4.92 117.38 111.45 1hxm n GLN 103 Ca 0.10 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.16 1hxm n GLN 103 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.85 1hxm n GLN 103 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1hxm n GLN 104 N -0.57 0.03 -1.98 -1.09 3.00 -1.26 -5.13 117.38 110.38 1hxm n GLN 104 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1hxm n GLN 104 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 30.24 29.80 1hxm n GLN 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1hxm n GLU 105 N -3.32 1.94 -3.00 -1.09 0.28 -1.26 -5.10 120.64 109.10 1hxm n GLU 105 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 1hxm n GLU 105 Cb 0.03 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.85 1hxm n GLU 105 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1hxm s LEU 106 N 0.00 4.47 0.00 -1.84 2.96 -1.26 -3.50 118.68 119.51 1hxm s LEU 106 Ca 0.00 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 1hxm s LEU 106 Cb 0.00 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1hxm s LEU 106 CO 0.00 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1hxm n GLY 107 N 2.25 0.95 2.47 7.98 0.00 -1.26 -5.00 105.19 112.58 1hxm n GLY 107 Ca -0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1hxm n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hxm n LYS 108 N -2.07 0.82 -4.38 1.61 4.76 -1.23 -5.13 118.16 112.54 1hxm n LYS 108 Ca 0.00 -2.53 -0.29 0.00 -2.87 0.00 0.00 58.31 52.62 1hxm n LYS 108 Cb 0.02 -1.35 -0.12 0.00 -1.84 0.00 0.00 35.03 31.74 1hxm n LYS 108 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1hxm s LYS 109 N -0.49 1.51 -0.01 1.97 -2.85 -1.26 -2.78 119.74 115.83 1hxm s LYS 109 Ca 0.33 -1.36 0.05 0.00 -1.00 0.00 0.00 55.97 53.99 1hxm s LYS 109 Cb 0.24 -1.93 -0.01 0.00 -2.06 0.00 0.00 37.83 34.06 1hxm s LYS 109 CO -0.15 0.44 -0.17 0.42 0.10 0.00 0.00 175.35 176.00 1hxm s ILE 110 N -1.22 1.33 -0.41 3.79 1.01 -0.83 -4.98 121.20 119.89 1hxm s ILE 110 Ca 0.16 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 1hxm s ILE 110 Cb -0.10 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1hxm s ILE 110 CO 0.08 0.35 0.43 -0.75 0.00 0.00 0.00 174.94 175.04 1hxm s LYS 111 N -0.48 3.16 -0.05 2.79 2.20 -1.26 -0.18 119.74 125.92 1hxm s LYS 111 Ca 0.06 -0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 54.78 1hxm s LYS 111 Cb -0.07 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 1hxm s LYS 111 CO -0.00 -0.81 0.53 0.08 -0.36 0.00 0.00 175.35 174.79 1hxm s VAL 112 N 2.13 5.04 0.16 4.02 1.01 0.11 -4.89 120.40 127.98 1hxm s VAL 112 Ca 0.12 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.26 1hxm s VAL 112 Cb -0.17 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1hxm s VAL 112 CO 0.13 0.39 -0.04 -0.36 0.00 0.00 0.00 175.10 175.23 1hxm s PHE 113 N 0.06 2.78 0.78 5.22 0.40 -1.26 -1.00 117.98 124.96 1hxm s PHE 113 Ca 0.28 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.38 1hxm s PHE 113 Cb -0.17 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.10 1hxm s PHE 113 CO 0.14 0.50 1.10 0.20 0.70 0.00 0.00 175.22 177.86 1hxm s GLY 114 N -2.79 1.72 0.50 4.36 0.00 0.11 -4.57 107.32 106.65 1hxm s GLY 114 Ca 0.26 -1.12 0.29 0.00 0.00 0.00 0.00 44.72 44.14 1hxm s GLY 114 CO 0.17 -0.59 1.93 -0.56 0.00 0.00 0.00 173.10 174.05 1hxm h PRO 115 N -0.88 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 128.83 1hxm h PRO 115 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1hxm h PRO 115 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1hxm h PRO 115 CO 0.51 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1hxm n GLY 116 N -0.04 1.82 3.10 1.56 0.00 -1.26 -5.02 105.19 105.35 1hxm n GLY 116 Ca -0.00 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.36 1.31 -0.21 2.61 2.01 -0.04 -4.77 115.64 114.19 1hxm s THR 117 Ca 0.00 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1hxm s THR 117 Cb 0.00 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1hxm s THR 117 CO 0.00 0.38 0.23 -0.54 -0.69 0.00 0.00 174.62 174.00 1hxm s LYS 118 N 0.14 4.15 -0.33 4.92 1.02 -0.81 -0.73 119.74 128.10 1hxm s LYS 118 Ca -0.05 -0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.65 1hxm s LYS 118 Cb -0.12 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1hxm s LYS 118 CO 0.02 0.12 0.53 -1.17 -0.92 0.00 0.00 175.35 173.93 1hxm s LEU 119 N 0.87 4.28 -0.17 3.17 2.96 -0.58 -0.09 118.68 129.12 1hxm s LEU 119 Ca 0.12 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1hxm s LEU 119 Cb -0.13 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1hxm s LEU 119 CO 0.04 -0.46 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.95 1hxm s ILE 120 N 2.42 3.84 -0.28 6.68 1.01 0.08 -3.55 121.20 131.41 1hxm s ILE 120 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 1hxm s ILE 120 Cb -0.15 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.67 1hxm s ILE 120 CO 0.13 0.48 -0.04 -0.63 0.00 0.00 0.00 174.94 174.87 1hxm s ILE 121 N 0.56 2.74 0.33 2.92 -1.09 -1.26 -0.01 121.20 125.39 1hxm s ILE 121 Ca -0.03 -1.37 0.08 0.00 -2.23 0.00 0.00 60.65 57.10 1hxm s ILE 121 Cb -0.14 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 1hxm s ILE 121 CO 0.03 -0.01 0.18 0.42 -1.23 0.00 0.00 174.94 174.32 1hxm s THR 122 N 1.23 3.33 -0.06 2.92 -4.23 -0.82 -4.95 115.64 113.06 1hxm s THR 122 Ca -0.05 -1.59 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 1hxm s THR 122 Cb -0.19 -3.07 -0.26 0.00 1.34 0.00 0.00 72.50 70.33 1hxm s THR 122 CO -0.03 -0.21 0.96 0.44 -0.54 0.00 0.00 174.62 175.24 1hxm h ASP 123 N 1.47 0.28 -3.09 3.99 5.19 -1.98 -3.19 116.42 119.10 1hxm h ASP 123 Ca -0.44 -0.86 -0.64 0.00 -0.62 0.00 0.00 57.03 54.47 1hxm h ASP 123 Cb 1.25 -0.09 -0.16 0.00 0.18 0.00 0.00 39.33 40.52 1hxm h ASP 123 CO 0.61 1.10 -0.76 -0.54 -3.12 0.00 0.00 179.24 176.54 1hxm s LYS 124 N -2.81 1.89 0.43 3.56 1.02 -1.26 -4.66 119.74 117.91 1hxm s LYS 124 Ca -0.16 -1.34 -0.24 0.00 0.02 0.00 0.00 55.97 54.25 1hxm s LYS 124 Cb 0.00 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1hxm s LYS 124 CO 0.76 0.43 1.17 -0.65 -0.92 0.00 0.00 175.35 176.14 1hxm s GLN 125 N -2.75 3.90 -0.11 1.68 -0.21 -1.26 -4.98 119.66 115.93 1hxm s GLN 125 Ca 0.23 1.82 -0.18 0.00 0.02 0.00 0.00 55.36 57.26 1hxm s GLN 125 Cb -0.09 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 1hxm s GLN 125 CO 0.13 -0.45 0.46 -0.51 -2.12 0.00 0.00 175.29 172.81 1hxm s LEU 126 N -2.76 4.29 -0.58 2.90 1.43 -1.26 -5.02 118.68 117.68 1hxm s LEU 126 Ca 0.60 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1hxm s LEU 126 Cb -0.30 -2.67 0.15 0.00 0.03 0.00 0.00 46.19 43.40 1hxm s LEU 126 CO 0.37 0.04 0.37 -1.81 0.23 0.00 0.00 176.35 175.55 1hxm s ASP 127 N 0.45 4.19 0.00 2.29 -0.00 -1.26 -5.03 116.67 117.31 1hxm s ASP 127 Ca 0.25 -3.34 0.00 0.00 -0.00 0.00 0.00 52.55 49.46 1hxm s ASP 127 Cb -0.15 -1.44 0.00 0.00 -0.00 0.00 0.00 42.92 41.33 1hxm s ASP 127 CO 0.10 -0.16 0.00 0.00 -0.00 0.00 0.00 175.17 175.11 1hxm n ALA 128 N 2.64 0.00 -2.70 5.23 0.00 -1.26 -5.12 120.51 119.29 1hxm n ALA 128 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1hxm n ALA 128 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 7.25 0.00 0.00 3.68 -1.26 -4.91 116.67 121.44 1hxm s ASP 129 Ca 0.00 1.52 0.00 0.00 2.13 0.00 0.00 52.55 56.20 1hxm s ASP 129 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 1hxm s ASP 129 CO 0.00 -0.32 0.60 0.52 0.13 0.00 0.00 175.17 176.10 1hxm n VAL 130 N 4.18 0.27 -1.89 1.11 0.31 -1.26 -4.97 118.33 116.08 1hxm n VAL 130 Ca 0.06 -0.59 -0.38 0.00 -0.01 0.00 0.00 64.34 63.42 1hxm n VAL 130 Cb 0.50 0.93 0.03 0.00 -0.91 0.00 0.00 33.84 34.39 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 -0.27 5.59 0.24 4.52 1.04 -1.25 -2.76 113.70 120.80 1hxm s SER 131 Ca 0.00 2.69 -0.31 0.00 0.48 0.00 0.00 55.95 58.81 1hxm s SER 131 Cb 0.00 -2.63 -0.11 0.00 0.10 0.00 0.00 66.02 63.38 1hxm s SER 131 CO 0.00 -1.35 1.60 -2.84 0.98 0.00 0.00 173.24 171.63 1hxm s PRO 132 N -2.76 4.17 -0.30 4.02 0.02 -1.26 -4.42 135.00 134.46 1hxm s PRO 132 Ca 0.68 2.49 -0.13 0.00 0.02 0.00 0.00 61.00 64.06 1hxm s PRO 132 Cb -0.38 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 1hxm s PRO 132 CO 0.47 -0.62 0.26 0.15 -0.33 0.00 0.00 177.00 176.93 1hxm s LYS 133 N 0.31 3.81 0.70 5.54 -0.14 -0.48 -4.88 119.74 124.60 1hxm s LYS 133 Ca 0.67 -0.33 -0.11 0.00 -1.36 0.00 0.00 55.97 54.84 1hxm s LYS 133 Cb -0.46 -3.71 0.01 0.00 -1.68 0.00 0.00 37.83 31.99 1hxm s LYS 133 CO 0.39 -0.31 1.08 -1.25 -0.76 0.00 0.00 175.35 174.51 1hxm s PRO 134 N 1.86 2.87 -0.25 -1.68 0.04 -1.26 -2.07 135.00 134.51 1hxm s PRO 134 Ca 0.09 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 61.68 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 -1.06 0.51 0.99 0.04 0.00 0.00 177.00 177.58 1hxm s THR 135 N -3.24 -0.80 0.30 1.26 2.01 -0.31 -4.94 115.64 109.93 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 0.96 -0.63 -0.69 0.00 0.00 174.62 174.80 1hxm s ILE 136 N 2.72 4.11 -0.20 1.82 -1.09 -1.26 -1.88 121.20 125.42 1hxm s ILE 136 Ca 0.02 1.86 -0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1hxm s ILE 136 Cb -0.13 -4.08 0.07 0.00 -1.58 0.00 0.00 42.46 36.74 1hxm s ILE 136 CO -0.16 0.25 0.08 -0.36 -1.23 0.00 0.00 174.94 173.51 1hxm s PHE 137 N -1.47 0.60 0.24 3.97 0.08 -0.93 -4.99 117.98 115.47 1hxm s PHE 137 Ca 0.48 -0.66 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 1hxm s PHE 137 Cb -0.22 -0.90 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 1hxm s PHE 137 CO 0.27 -0.61 0.63 -0.51 -0.10 0.00 0.00 175.22 174.91 1hxm s LEU 138 N 2.00 4.19 0.96 -0.37 1.43 -1.26 -2.29 118.68 123.34 1hxm s LEU 138 Ca 0.02 1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1hxm s LEU 138 Cb -0.16 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1hxm s LEU 138 CO -0.13 -0.07 0.21 -2.65 0.23 0.00 0.00 176.35 173.95 1hxm n PRO 139 N 0.08 -0.28 -3.10 1.29 -0.02 -1.23 -4.94 135.00 126.81 1hxm n PRO 139 Ca -0.00 -0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 1hxm n PRO 139 Cb 0.52 -1.72 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.86 7.20 0.19 2.55 1.04 -1.26 -4.95 113.70 116.60 1hxm s SER 140 Ca 0.54 1.42 -0.19 0.00 0.48 0.00 0.00 55.95 58.21 1hxm s SER 140 Cb -0.20 -2.43 0.16 0.00 0.10 0.00 0.00 66.02 63.64 1hxm s SER 140 CO 0.70 0.17 1.60 0.40 0.98 0.00 0.00 173.24 177.09 1hxm h ILE 141 N 3.67 0.23 -0.90 -1.02 2.04 -1.99 -0.17 117.51 119.37 1hxm h ILE 141 Ca -0.47 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.64 1hxm h ILE 141 Cb 1.21 0.23 -0.14 0.00 -0.74 0.00 0.00 36.82 37.38 1hxm h ILE 141 CO 0.67 0.00 0.30 0.00 0.00 0.00 0.00 178.15 179.12 1hxm h ALA 142 N 1.17 1.39 -0.71 1.87 0.00 -1.99 -0.36 119.26 120.63 1hxm h ALA 142 Ca 0.25 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1hxm h ALA 142 Cb 0.53 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1hxm h ALA 142 CO -0.66 -0.47 0.47 1.49 0.00 0.00 0.00 179.25 180.08 1hxm h GLU 143 N 0.24 0.83 0.00 0.00 4.81 -1.34 -1.09 114.58 118.03 1hxm h GLU 143 Ca 0.58 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1hxm h GLU 143 Cb 1.19 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1hxm h GLU 143 CO -0.64 0.55 0.00 2.41 -0.73 0.00 0.00 179.01 180.60 1hxm n THR 144 N -4.46 1.70 0.33 0.32 -1.04 -0.15 0.36 114.28 111.35 1hxm n THR 144 Ca 0.09 0.42 0.09 0.00 -2.04 0.00 0.00 64.05 62.62 1hxm n THR 144 Cb 0.12 -1.36 0.15 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 -1.49 2.07 0.00 -2.82 4.01 -0.42 -3.52 118.16 115.99 1hxm n LYS 145 Ca 0.01 -1.93 0.00 0.00 -0.51 0.00 0.00 58.31 55.88 1hxm n LYS 145 Cb 0.04 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 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 1.09 0.00 -1.28 -0.35 7.94 0.16 -4.48 117.00 120.09 1hxm n LEU 146 Ca 0.14 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.07 1hxm n LEU 146 Cb 0.49 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.66 1hxm n LEU 146 CO 0.12 0.00 0.60 0.00 -1.11 0.00 0.00 177.39 177.00 1hxm n GLN 147 N 0.00 3.06 -3.85 1.96 6.02 -1.25 -4.81 117.38 118.50 1hxm n GLN 147 Ca 0.00 -1.71 -0.29 0.00 -0.01 0.00 0.00 57.00 54.99 1hxm n GLN 147 Cb 0.00 -1.91 0.03 0.00 1.02 0.00 0.00 30.24 29.38 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 0.31 -5.66 -4.49 -1.09 5.02 -1.23 -4.55 118.16 106.46 1hxm n LYS 148 Ca 0.16 0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 1hxm n LYS 148 Cb 0.78 -5.52 -0.05 0.00 -0.02 0.00 0.00 35.03 30.22 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 -3.28 4.36 -0.02 7.82 0.00 -1.25 -2.99 121.76 126.40 1hxm s ALA 149 Ca 0.65 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 1hxm s ALA 149 Cb -0.32 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1hxm s ALA 149 CO 0.80 -0.16 0.11 0.20 0.00 0.00 0.00 175.76 176.71 1hxm s GLY 150 N -4.04 0.01 -0.20 0.00 0.00 -0.74 -2.94 107.32 99.41 1hxm s GLY 150 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1hxm s GLY 150 CO 0.07 -0.07 -0.08 -1.59 0.00 0.00 0.00 173.10 171.44 1hxm s THR 151 N -0.75 1.45 0.42 0.90 2.01 -1.26 0.63 115.64 119.03 1hxm s THR 151 Ca -0.08 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 1hxm s THR 151 Cb -0.05 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1hxm s THR 151 CO 0.01 0.10 0.75 -0.31 -0.69 0.00 0.00 174.62 174.48 1hxm s TYR 152 N 1.47 3.51 -0.19 4.92 2.02 0.17 -3.48 117.35 125.77 1hxm s TYR 152 Ca -0.01 0.90 -0.04 0.00 -0.37 0.00 0.00 57.07 57.54 1hxm s TYR 152 Cb -0.16 -2.34 0.09 0.00 -0.40 0.00 0.00 41.96 39.15 1hxm s TYR 152 CO -0.08 -0.13 0.31 -1.17 -1.57 0.00 0.00 175.55 172.91 1hxm s LEU 153 N -4.14 -0.41 -0.18 -1.29 2.96 -0.97 -0.88 118.68 113.77 1hxm s LEU 153 Ca 0.49 0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1hxm s LEU 153 Cb -0.10 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.42 1hxm s LEU 153 CO 0.36 -0.27 0.01 0.00 -1.32 0.00 0.00 176.35 175.13 1hxm s LEU 155 N 0.50 3.68 -0.16 0.00 2.96 -0.79 -1.87 118.68 123.00 1hxm s LEU 155 Ca -0.00 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1hxm s LEU 155 Cb -0.14 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1hxm s LEU 155 CO 0.02 0.11 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.20 1hxm s LEU 156 N 0.73 2.19 0.18 -0.68 1.43 -0.26 -1.16 118.68 121.11 1hxm s LEU 156 Ca 0.03 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1hxm s LEU 156 Cb -0.13 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1hxm s LEU 156 CO 0.02 0.05 0.12 -1.83 0.23 0.00 0.00 176.35 174.95 1hxm s GLU 157 N 0.97 1.13 -1.28 1.70 -1.05 -0.88 -0.13 118.70 119.16 1hxm s GLU 157 Ca -0.03 -1.55 0.00 0.00 -0.15 0.00 0.00 54.97 53.24 1hxm s GLU 157 Cb -0.15 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1hxm s GLU 157 CO -0.05 -0.36 0.00 1.63 0.95 0.00 0.00 175.26 177.43 1hxm n LYS 158 N -0.22 -1.09 -3.99 -4.83 5.02 -0.32 -1.38 118.16 111.35 1hxm n LYS 158 Ca -0.01 0.76 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 1hxm n LYS 158 Cb 0.65 -5.00 -0.05 0.00 -0.02 0.00 0.00 35.03 30.61 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 -2.66 3.36 -0.06 2.13 -0.71 -1.01 -4.52 117.98 114.51 1hxm s PHE 159 Ca 0.00 0.15 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 1hxm s PHE 159 Cb 0.00 -1.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.11 1hxm s PHE 159 CO 0.00 0.55 -0.09 0.34 -1.34 0.00 0.00 175.22 174.68 1hxm n PHE 160 N 0.28 0.28 -0.30 3.49 -0.00 -1.11 -0.46 117.46 119.65 1hxm n PHE 160 Ca -0.07 0.12 0.33 0.00 -0.00 0.00 0.00 57.45 57.83 1hxm n PHE 160 Cb 0.52 -0.40 0.55 0.00 -0.00 0.00 0.00 39.48 40.15 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 -0.42 0.00 0.00 -7.13 0.11 -1.98 -3.43 132.00 119.16 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 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 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 -3.46 0.00 -4.59 -2.05 3.85 -1.26 -4.92 116.55 104.12 1hxm n ASP 162 Ca 0.26 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.91 1hxm n ASP 162 Cb 1.55 -0.08 -0.03 0.00 -1.35 0.00 0.00 41.12 41.22 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 -0.99 4.27 0.07 2.12 1.01 -1.26 -4.98 120.40 120.63 1hxm s VAL 163 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1hxm s VAL 163 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1hxm s VAL 163 CO 0.00 -0.97 0.02 -0.51 0.00 0.00 0.00 175.10 173.63 1hxm s ILE 164 N 4.28 0.19 -0.03 2.22 2.07 -1.26 -4.54 121.20 124.12 1hxm s ILE 164 Ca 0.45 -1.75 -0.01 0.00 -1.41 0.00 0.00 60.65 57.92 1hxm s ILE 164 Cb -0.08 -1.61 0.03 0.00 0.13 0.00 0.00 42.46 40.94 1hxm s ILE 164 CO 0.30 -0.85 0.05 -0.75 -1.91 0.00 0.00 174.94 171.79 1hxm s LYS 165 N -3.94 -0.06 -0.05 3.50 2.47 -1.00 -5.02 119.74 115.64 1hxm s LYS 165 Ca 0.10 0.30 0.04 0.00 -1.56 0.00 0.00 55.97 54.86 1hxm s LYS 165 Cb 0.07 -0.40 -0.00 0.00 -1.46 0.00 0.00 37.83 36.05 1hxm s LYS 165 CO -0.08 -0.26 -0.17 0.42 0.16 0.00 0.00 175.35 175.42 1hxm s ILE 166 N 1.71 1.45 0.14 5.43 1.01 -1.26 -1.09 121.20 128.59 1hxm s ILE 166 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1hxm s ILE 166 Cb -0.12 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1hxm s ILE 166 CO -0.03 0.42 0.32 -1.38 0.00 0.00 0.00 174.94 174.26 1hxm s HIS 167 N 0.13 0.14 0.39 3.97 -3.43 -1.08 -5.03 115.29 110.38 1hxm s HIS 167 Ca -0.06 -0.51 0.08 0.00 -0.80 0.00 0.00 55.06 53.77 1hxm s HIS 167 Cb -0.13 0.07 -0.06 0.00 -1.43 0.00 0.00 32.58 31.04 1hxm s HIS 167 CO 0.03 -0.70 0.11 -1.58 -2.00 0.00 0.00 174.74 170.60 1hxm s TRP 168 N -3.89 2.59 0.17 0.38 0.52 -1.26 -1.58 118.94 115.86 1hxm s TRP 168 Ca 0.10 -0.56 -0.23 0.00 0.02 0.00 0.00 56.10 55.43 1hxm s TRP 168 Cb 0.03 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.61 1hxm s TRP 168 CO -0.06 0.30 0.61 -1.21 0.02 0.00 0.00 176.95 176.62 1hxm s GLU 169 N -3.83 1.32 0.04 4.98 2.02 -0.77 -3.32 118.70 119.14 1hxm s GLU 169 Ca 0.38 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.58 1hxm s GLU 169 Cb 0.04 0.59 -0.04 0.00 0.10 0.00 0.00 34.13 34.81 1hxm s GLU 169 CO 0.21 -0.58 0.91 -1.21 0.02 0.00 0.00 175.26 174.62 1hxm s GLU 170 N -3.76 4.58 0.09 1.61 0.41 -1.24 -1.00 118.70 119.40 1hxm s GLU 170 Ca 0.02 1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 55.72 1hxm s GLU 170 Cb -0.01 -3.42 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 1hxm s GLU 170 CO -0.11 0.10 1.31 -0.22 -0.49 0.00 0.00 175.26 175.84 1hxm h LYS 171 N 6.23 -0.00 0.00 1.61 3.11 -1.62 -3.22 116.57 122.68 1hxm h LYS 171 Ca -0.42 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1hxm h LYS 171 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1hxm h LYS 171 CO 0.73 -0.00 0.00 1.63 -2.81 0.00 0.00 179.45 179.00 1hxm n LYS 172 N -4.30 0.00 -2.02 1.90 5.02 -1.26 -4.44 118.16 113.06 1hxm n LYS 172 Ca 0.01 0.28 -0.26 0.00 -2.02 0.00 0.00 58.31 56.32 1hxm n LYS 172 Cb 0.15 -0.90 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 1hxm n LYS 172 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1hxm s SER 173 N -2.08 5.04 -1.26 4.39 0.01 -1.24 -4.88 113.70 113.68 1hxm s SER 173 Ca 0.00 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 56.30 1hxm s SER 173 Cb 0.00 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1hxm s SER 173 CO 0.00 -2.88 1.71 0.54 0.41 0.00 0.00 173.24 173.02 1hxm s ASN 174 N 8.00 6.73 -0.16 2.44 4.22 -1.22 -3.62 114.94 131.33 1hxm s ASN 174 Ca 0.71 -2.28 -0.00 0.00 -2.14 0.00 0.00 52.86 49.15 1hxm s ASN 174 Cb -0.06 -2.58 0.04 0.00 1.28 0.00 0.00 41.25 39.93 1hxm s ASN 174 CO 0.02 -1.28 -0.06 -0.89 -2.04 0.00 0.00 177.10 172.84 1hxm s THR 175 N 4.56 1.17 0.21 0.54 2.01 -1.26 -4.96 115.64 117.90 1hxm s THR 175 Ca 0.53 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.67 1hxm s THR 175 Cb 0.03 -1.30 -0.15 0.00 0.01 0.00 0.00 72.50 71.09 1hxm s THR 175 CO 0.06 0.18 0.41 -0.38 -0.69 0.00 0.00 174.62 174.20 1hxm n ILE 176 N 4.86 1.63 0.00 1.82 5.41 -1.26 -4.54 119.36 127.27 1hxm n ILE 176 Ca -0.12 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.17 1hxm n ILE 176 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 1.86 0.00 -2.93 1.39 4.32 -1.21 -5.03 117.00 115.39 1hxm n LEU 177 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.03 1hxm n LEU 177 Cb 0.25 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.03 1hxm n LEU 177 CO 0.50 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 1hxm n GLY 178 N 5.00 0.39 3.62 -0.72 0.00 -1.26 -5.03 105.19 107.19 1hxm n GLY 178 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 2.60 2.09 -4.17 1.61 3.41 -1.26 -4.92 113.62 112.98 1hxm n SER 179 Ca 0.20 -2.49 -0.14 0.00 -0.26 0.00 0.00 58.87 56.17 1hxm n SER 179 Cb 0.55 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 -4.39 0.82 0.09 4.33 -0.21 -1.03 -5.03 119.66 114.25 1hxm s GLN 180 Ca 0.52 -1.16 -0.06 0.00 0.02 0.00 0.00 55.36 54.68 1hxm s GLN 180 Cb -0.04 -0.47 -0.02 0.00 1.00 0.00 0.00 33.01 33.48 1hxm s GLN 180 CO 0.33 0.07 0.13 -1.83 -2.12 0.00 0.00 175.29 171.86 1hxm s GLU 181 N -2.85 0.84 0.63 2.91 -1.05 -1.26 -1.15 118.70 116.77 1hxm s GLU 181 Ca 0.05 -1.11 0.02 0.00 -0.15 0.00 0.00 54.97 53.78 1hxm s GLU 181 Cb -0.02 0.30 0.09 0.00 -0.44 0.00 0.00 34.13 34.06 1hxm s GLU 181 CO -0.01 -0.25 0.88 0.20 0.95 0.00 0.00 175.26 177.03 1hxm s GLY 182 N -2.91 1.78 0.57 -3.83 0.00 -0.91 -5.02 107.32 97.00 1hxm s GLY 182 Ca 0.09 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 42.93 1hxm s GLY 182 CO -0.08 -1.25 1.11 -1.31 0.00 0.00 0.00 173.10 171.57 1hxm s ASN 183 N -4.63 5.64 0.12 1.64 0.01 -1.26 -4.64 114.94 111.82 1hxm s ASN 183 Ca 0.63 2.06 -0.30 0.00 -0.71 0.00 0.00 52.86 54.53 1hxm s ASN 183 Cb -0.07 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 1hxm s ASN 183 CO 0.41 -1.27 1.25 -0.89 -1.51 0.00 0.00 177.10 175.09 1hxm s THR 184 N -2.02 3.67 -0.03 1.60 2.01 -1.26 -4.75 115.64 114.87 1hxm s THR 184 Ca 0.70 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.99 1hxm s THR 184 Cb -0.21 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1hxm s THR 184 CO 0.31 0.14 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.96 1hxm s MET 185 N 0.58 2.54 0.24 4.92 1.75 0.13 -4.94 119.30 124.52 1hxm s MET 185 Ca 0.58 -0.69 -0.18 0.00 -1.25 0.00 0.00 55.69 54.14 1hxm s MET 185 Cb -0.33 -2.46 -0.08 0.00 2.84 0.00 0.00 34.83 34.80 1hxm s MET 185 CO 0.32 0.62 0.72 0.21 -0.65 0.00 0.00 175.02 176.24 1hxm s LYS 186 N -1.08 4.19 -0.43 4.11 2.20 -1.26 -0.39 119.74 127.07 1hxm s LYS 186 Ca 0.14 0.81 0.05 0.00 -0.36 0.00 0.00 55.97 56.61 1hxm s LYS 186 Cb -0.11 -2.79 0.19 0.00 -1.51 0.00 0.00 37.83 33.61 1hxm s LYS 186 CO 0.04 0.35 0.48 0.25 -0.36 0.00 0.00 175.35 176.11 1hxm n THR 187 N 0.51 -0.84 -2.89 3.43 -2.24 0.39 -4.90 114.28 107.74 1hxm n THR 187 Ca -0.01 -2.98 -0.09 0.00 -2.27 0.00 0.00 64.05 58.70 1hxm n THR 187 Cb 0.51 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 2.52 -7.75 -4.46 3.42 3.02 -1.26 -3.59 115.26 107.16 1hxm n ASN 188 Ca 0.25 0.65 -0.39 0.00 -0.03 0.00 0.00 54.58 55.06 1hxm n ASN 188 Cb 0.51 -5.00 -0.08 0.00 -0.61 0.00 0.00 39.78 34.60 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 -0.07 -0.99 -3.54 6.41 5.68 -1.26 -4.89 116.55 117.88 1hxm n ASP 189 Ca 0.08 -1.25 -0.10 0.00 -0.50 0.00 0.00 54.79 53.02 1hxm n ASP 189 Cb 0.40 -1.65 -0.04 0.00 -1.14 0.00 0.00 41.12 38.69 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 -3.61 0.00 0.34 2.12 -1.32 -1.24 -4.91 115.64 107.02 1hxm s THR 190 Ca 0.57 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.09 1hxm s THR 190 Cb -0.33 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.60 1hxm s THR 190 CO 1.02 0.00 0.06 -0.31 -2.21 0.00 0.00 174.62 173.17 1hxm s TYR 191 N -2.06 2.02 0.11 9.09 2.02 0.40 0.15 117.35 129.07 1hxm s TYR 191 Ca 0.01 -0.94 -0.02 0.00 -0.37 0.00 0.00 57.07 55.75 1hxm s TYR 191 Cb -0.01 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1hxm s TYR 191 CO -0.03 0.05 0.06 0.00 -1.57 0.00 0.00 175.55 174.05 1hxm s MET 192 N -3.87 0.87 -0.21 -0.62 0.23 0.48 -1.17 119.30 115.01 1hxm s MET 192 Ca 0.36 -1.35 -0.28 0.00 -1.03 0.00 0.00 55.69 53.38 1hxm s MET 192 Cb 0.09 0.25 0.13 0.00 -1.53 0.00 0.00 34.83 33.76 1hxm s MET 192 CO 0.16 -0.24 1.02 0.21 -2.03 0.00 0.00 175.02 174.14 1hxm s LYS 193 N -4.01 0.55 0.07 3.16 2.20 0.82 -0.70 119.74 121.83 1hxm s LYS 193 Ca 0.19 0.33 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 1hxm s LYS 193 Cb 0.07 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1hxm s LYS 193 CO -0.01 -0.13 -0.12 -0.59 -0.36 0.00 0.00 175.35 174.14 1hxm s PHE 194 N -0.53 1.07 -0.00 4.03 -0.12 -1.26 -1.10 117.98 120.06 1hxm s PHE 194 Ca 0.00 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 1hxm s PHE 194 Cb -0.02 -0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 1hxm s PHE 194 CO -0.02 0.02 -0.11 0.45 -0.05 0.00 0.00 175.22 175.50 1hxm s SER 195 N -1.86 1.32 0.06 1.98 0.15 -0.78 -2.14 113.70 112.42 1hxm s SER 195 Ca -0.02 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1hxm s SER 195 Cb -0.08 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1hxm s SER 195 CO 0.01 0.11 -0.09 -1.66 1.20 0.00 0.00 173.24 172.82 1hxm s TRP 196 N -0.36 0.82 -0.02 3.44 -2.14 -0.30 -1.03 118.94 119.35 1hxm s TRP 196 Ca 0.04 -0.54 0.01 0.00 2.66 0.00 0.00 56.10 58.27 1hxm s TRP 196 Cb -0.05 -0.48 0.02 0.00 -3.10 0.00 0.00 33.47 29.86 1hxm s TRP 196 CO -0.00 -0.06 -0.01 -1.17 -2.66 0.00 0.00 176.95 173.05 1hxm s LEU 197 N -1.79 1.47 -0.41 -4.66 2.96 -0.05 -2.46 118.68 113.74 1hxm s LEU 197 Ca -0.06 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1hxm s LEU 197 Cb -0.08 -0.21 0.08 0.00 0.50 0.00 0.00 46.19 46.47 1hxm s LEU 197 CO 0.00 -0.05 0.24 -0.89 -1.32 0.00 0.00 176.35 174.34 1hxm s THR 198 N 0.62 4.11 0.05 3.68 2.01 -1.26 0.42 115.64 125.28 1hxm s THR 198 Ca -0.06 -1.44 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 1hxm s THR 198 Cb -0.09 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1hxm s THR 198 CO -0.01 -0.50 0.87 0.68 -0.69 0.00 0.00 174.62 174.97 1hxm s VAL 199 N 1.40 4.71 0.93 3.82 -7.23 0.20 -4.86 120.40 119.37 1hxm s VAL 199 Ca 0.03 1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 61.94 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 0.29 1.09 -2.84 -0.31 0.00 0.00 175.10 173.35 1hxm s PRO 200 N 0.28 0.96 0.20 4.82 0.02 -1.26 -1.79 135.00 138.24 1hxm s PRO 200 Ca 0.44 0.88 -0.10 0.00 0.02 0.00 0.00 61.00 62.24 1hxm s PRO 200 Cb -0.21 -1.77 0.27 0.00 0.02 0.00 0.00 34.50 32.81 1hxm s PRO 200 CO 0.26 -2.46 1.23 -1.91 -0.33 0.00 0.00 177.00 173.79 1hxm n GLU 201 N -4.04 -0.13 0.05 5.54 4.07 -1.16 -2.44 120.64 122.52 1hxm n GLU 201 Ca 0.07 1.22 -0.04 0.00 -0.06 0.00 0.00 57.16 58.35 1hxm n GLU 201 Cb 0.55 -1.82 -0.02 0.00 -0.06 0.00 0.00 31.44 30.09 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 -0.19 0.00 5.31 1.63 -1.91 -3.15 116.57 118.27 1hxm h LYS 202 Ca 0.32 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1hxm h LYS 202 Cb 0.52 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1hxm h LYS 202 CO -0.80 -0.12 0.06 0.43 -3.45 0.00 0.00 179.45 175.57 1hxm n SER 203 N -3.04 0.00 -0.24 4.20 7.64 -1.02 -3.69 113.62 117.47 1hxm n SER 203 Ca -0.02 0.21 0.22 0.00 1.01 0.00 0.00 58.87 60.29 1hxm n SER 203 Cb 0.10 -0.21 0.57 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.31 -0.11 -3.43 4.07 -1.57 -1.92 115.31 112.65 1hxm h LEU 204 Ca 0.00 0.04 -0.22 0.00 0.08 0.00 0.00 57.88 57.78 1hxm h LEU 204 Cb 0.12 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1hxm h LEU 204 CO 0.00 0.11 -1.00 -2.24 -1.08 0.00 0.00 178.44 174.23 1hxm h ASP 205 N 0.30 0.23 -3.14 -0.43 3.04 -1.77 -3.12 116.42 111.53 1hxm h ASP 205 Ca 0.48 -0.21 -0.40 0.00 -3.24 0.00 0.00 57.03 53.66 1hxm h ASP 205 Cb 1.38 -0.07 0.21 0.00 -1.04 0.00 0.00 39.33 39.81 1hxm h ASP 205 CO -0.15 1.09 -0.06 -0.54 -2.04 0.00 0.00 179.24 177.54 1hxm s LYS 206 N -2.94 -2.15 0.19 4.15 1.02 -0.72 -4.48 119.74 114.81 1hxm s LYS 206 Ca -0.02 0.37 0.07 0.00 0.02 0.00 0.00 55.97 56.40 1hxm s LYS 206 Cb 0.09 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1hxm s LYS 206 CO 0.84 -4.42 0.07 -2.00 -0.92 0.00 0.00 175.35 168.92 1hxm s GLU 207 N -4.87 2.61 0.09 1.68 2.12 -1.26 -4.04 118.70 115.03 1hxm s GLU 207 Ca 0.69 -1.06 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1hxm s GLU 207 Cb -0.17 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1hxm s GLU 207 CO 0.60 0.45 -0.07 -1.01 -0.54 0.00 0.00 175.26 174.69 1hxm s HIS 208 N -1.86 0.84 -0.02 5.30 3.76 -1.00 -1.65 115.29 120.65 1hxm s HIS 208 Ca 0.30 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.39 1hxm s HIS 208 Cb -0.09 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1hxm s HIS 208 CO 0.21 -0.14 -0.07 1.03 -0.85 0.00 0.00 174.74 174.92 1hxm s ARG 209 N -3.39 0.71 -0.42 1.40 0.52 -0.17 -0.54 118.95 117.06 1hxm s ARG 209 Ca 0.07 -0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 54.91 1hxm s ARG 209 Cb 0.02 -0.69 0.04 0.00 0.52 0.00 0.00 34.95 34.85 1hxm s ARG 209 CO -0.04 0.11 0.30 0.00 0.02 0.00 0.00 175.30 175.69 1hxm s ILE 211 N 1.62 5.00 -0.22 0.00 1.01 -0.61 0.29 121.20 128.29 1hxm s ILE 211 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1hxm s ILE 211 Cb -0.21 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1hxm s ILE 211 CO 0.08 0.19 0.03 -0.69 0.00 0.00 0.00 174.94 174.55 1hxm s VAL 212 N 1.70 4.11 -0.30 2.92 1.01 0.55 -2.62 120.40 127.76 1hxm s VAL 212 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1hxm s VAL 212 Cb -0.16 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1hxm s VAL 212 CO 0.09 0.40 0.12 -0.60 0.00 0.00 0.00 175.10 175.11 1hxm s ARG 213 N 1.20 3.23 -0.06 2.72 6.06 -0.25 -0.32 118.95 131.53 1hxm s ARG 213 Ca 0.04 -0.78 -0.08 0.00 -2.50 0.00 0.00 55.73 52.41 1hxm s ARG 213 Cb -0.14 -3.48 0.02 0.00 0.06 0.00 0.00 34.95 31.40 1hxm s ARG 213 CO 0.02 -0.43 0.22 -1.58 -2.50 0.00 0.00 175.30 171.03 1hxm s HIS 214 N 1.57 -0.19 0.56 5.12 2.46 -1.26 -2.37 115.29 121.17 1hxm s HIS 214 Ca 0.04 0.45 0.29 0.00 0.47 0.00 0.00 55.06 56.31 1hxm s HIS 214 Cb -0.17 0.06 1.46 0.00 -0.13 0.00 0.00 32.58 33.81 1hxm s HIS 214 CO 0.05 -0.18 1.90 1.49 -2.47 0.00 0.00 174.74 175.53 1hxm h GLU 215 N 5.33 0.00 -0.17 2.88 4.81 -1.85 -2.59 114.58 122.99 1hxm h GLU 215 Ca -0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1hxm h GLU 215 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1hxm h GLU 215 CO 0.37 0.00 -0.11 0.09 -0.73 0.00 0.00 179.01 178.63 1hxm n ASN 216 N -4.04 2.66 -4.68 1.04 3.02 -1.26 -4.87 115.26 107.14 1hxm n ASN 216 Ca 0.13 -3.43 -0.32 0.00 -0.03 0.00 0.00 54.58 50.93 1hxm n ASN 216 Cb 0.79 -0.54 0.15 0.00 -0.61 0.00 0.00 39.78 39.57 1hxm n ASN 216 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1hxm s ASN 217 N -2.60 3.16 0.35 6.41 0.01 -0.98 -3.74 114.94 117.55 1hxm s ASN 217 Ca 0.40 2.23 -0.29 0.00 -0.71 0.00 0.00 52.86 54.49 1hxm s ASN 217 Cb 0.35 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 39.33 1hxm s ASN 217 CO 0.02 -2.95 1.52 -0.54 -1.51 0.00 0.00 177.10 173.64 1hxm s LYS 218 N -4.51 4.12 0.00 -0.60 -0.14 -1.26 -1.93 119.74 115.42 1hxm s LYS 218 Ca 0.68 2.57 0.00 0.00 -1.36 0.00 0.00 55.97 57.86 1hxm s LYS 218 Cb -0.24 -2.99 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 1hxm s LYS 218 CO 0.56 -0.56 0.00 0.09 -0.76 0.00 0.00 175.35 174.68 1hxm n ASN 219 N 1.04 0.00 -0.39 2.83 3.02 -1.26 -3.41 115.26 117.09 1hxm n ASN 219 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.53 1hxm n ASN 219 Cb 0.39 -1.16 -0.02 0.00 -0.61 0.00 0.00 39.78 38.37 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 0.77 3.43 7.41 0.00 -0.81 -5.03 105.19 108.96 1hxm n GLY 220 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 2.27 0.46 1.61 -7.23 -1.22 -4.96 120.40 109.16 1hxm s VAL 221 Ca 0.00 -2.32 -0.22 0.00 -1.81 0.00 0.00 61.98 57.63 1hxm s VAL 221 Cb 0.00 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 1hxm s VAL 221 CO 0.00 -0.42 0.73 0.47 -0.31 0.00 0.00 175.10 175.57 1hxm n ASP 222 N -0.46 -0.06 -4.69 4.85 9.92 -1.26 -4.64 116.55 120.20 1hxm n ASP 222 Ca -0.07 0.91 -0.37 0.00 -0.53 0.00 0.00 54.79 54.74 1hxm n ASP 222 Cb 0.60 -1.22 -0.08 0.00 -0.64 0.00 0.00 41.12 39.77 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 -1.90 4.18 -0.38 -1.24 0.74 0.57 -4.93 119.66 116.69 1hxm s GLN 223 Ca 0.65 0.05 -0.08 0.00 0.05 0.00 0.00 55.36 56.03 1hxm s GLN 223 Cb -0.55 -3.50 0.05 0.00 1.10 0.00 0.00 33.01 30.12 1hxm s GLN 223 CO 0.56 0.08 0.18 -2.00 -0.55 0.00 0.00 175.29 173.56 1hxm s GLU 224 N 0.97 2.62 -0.28 1.67 2.12 -1.26 -0.33 118.70 124.21 1hxm s GLU 224 Ca 0.15 -1.29 -0.17 0.00 0.36 0.00 0.00 54.97 54.02 1hxm s GLU 224 Cb -0.14 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1hxm s GLU 224 CO 0.06 -0.79 0.46 0.42 -0.54 0.00 0.00 175.26 174.86 1hxm s ILE 225 N 1.42 5.11 -0.26 -3.70 1.01 0.15 -4.95 121.20 119.97 1hxm s ILE 225 Ca 0.01 0.67 -0.22 0.00 0.00 0.00 0.00 60.65 61.10 1hxm s ILE 225 Cb -0.21 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1hxm s ILE 225 CO 0.03 0.07 0.73 -0.63 0.00 0.00 0.00 174.94 175.14 1hxm s ILE 226 N 2.22 4.89 -0.34 2.92 1.01 -1.26 -0.14 121.20 130.50 1hxm s ILE 226 Ca 0.18 1.27 -0.10 0.00 0.00 0.00 0.00 60.65 62.01 1hxm s ILE 226 Cb -0.16 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1hxm s ILE 226 CO 0.10 -0.08 0.17 -0.36 0.00 0.00 0.00 174.94 174.77 1hxm s PHE 227 N 2.72 3.21 1.00 3.97 0.08 0.30 -4.99 117.98 124.27 1hxm s PHE 227 Ca 0.30 -0.83 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1hxm s PHE 227 Cb -0.15 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 1hxm s PHE 227 CO 0.09 -0.57 -0.24 -2.30 -0.10 0.00 0.00 175.22 172.10 1hxm n PRO 228 N 4.97 -0.43 0.00 0.24 -0.02 -1.26 -2.38 135.00 136.11 1hxm n PRO 228 Ca -0.13 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1hxm n PRO 228 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 -0.11 0.00 -0.42 0.52 -0.04 -1.26 -4.55 135.00 129.15 1hxm n PRO 229 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1hxm n PRO 229 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1hxm n PRO 229 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57