#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 -1.64 3.53 0.00 0.00 -1.26 -4.97 105.19 100.84 1hxm n GLY 2 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.11 -0.38 -0.07 1.61 0.00 -0.71 -5.00 115.29 107.62 1hxm s HIS 3 Ca 0.57 0.18 -0.03 0.00 -3.00 0.00 0.00 55.06 52.78 1hxm s HIS 3 Cb -0.02 0.57 -0.04 0.00 -4.00 0.00 0.00 32.58 29.09 1hxm s HIS 3 CO 0.41 -0.75 0.05 -0.51 -1.00 0.00 0.00 174.74 172.94 1hxm s LEU 4 N -2.67 3.84 -0.02 5.38 1.43 -1.26 -2.29 118.68 123.09 1hxm s LEU 4 Ca 0.05 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1hxm s LEU 4 Cb -0.01 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1hxm s LEU 4 CO -0.08 0.36 -0.25 -1.61 0.23 0.00 0.00 176.35 174.99 1hxm s GLU 5 N -1.16 2.05 -0.44 1.70 2.02 0.08 -4.45 118.70 118.50 1hxm s GLU 5 Ca 0.16 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1hxm s GLU 5 Cb -0.12 -1.99 0.15 0.00 0.10 0.00 0.00 34.13 32.27 1hxm s GLU 5 CO 0.06 0.54 0.27 -0.65 0.02 0.00 0.00 175.26 175.51 1hxm s GLN 6 N -0.63 1.17 0.29 1.61 -0.21 -1.26 -0.34 119.66 120.28 1hxm s GLN 6 Ca 0.10 -1.99 0.03 0.00 0.02 0.00 0.00 55.36 53.51 1hxm s GLN 6 Cb -0.10 -2.05 0.62 0.00 1.00 0.00 0.00 33.01 32.48 1hxm s GLN 6 CO -0.01 -1.22 1.80 -1.35 -2.12 0.00 0.00 175.29 172.39 1hxm h PRO 7 N 6.50 0.81 -5.88 2.91 0.11 -1.94 -3.39 132.00 131.12 1hxm h PRO 7 Ca 0.07 -0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.64 1hxm h PRO 7 Cb 0.92 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1hxm h PRO 7 CO 0.44 0.54 1.42 -0.65 -0.21 0.00 0.00 178.00 179.54 1hxm s GLN 8 N -5.92 2.48 0.34 1.05 -0.21 -1.26 -4.79 119.66 111.35 1hxm s GLN 8 Ca -0.12 0.81 0.02 0.00 0.02 0.00 0.00 55.36 56.09 1hxm s GLN 8 Cb 0.23 -4.44 0.61 0.00 1.00 0.00 0.00 33.01 30.40 1hxm s GLN 8 CO 0.80 -2.89 1.99 0.82 -2.12 0.00 0.00 175.29 173.90 1hxm h ILE 9 N 7.10 1.17 -2.89 1.08 1.08 -1.86 -3.40 117.51 119.79 1hxm h ILE 9 Ca -0.25 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1hxm h ILE 9 Cb 1.19 0.25 -0.13 0.00 -3.07 0.00 0.00 36.82 35.06 1hxm h ILE 9 CO 1.20 0.17 0.22 -0.94 -0.69 0.00 0.00 178.15 178.12 1hxm s SER 10 N -6.47 -0.56 -0.13 1.72 1.04 -1.26 -2.16 113.70 105.88 1hxm s SER 10 Ca -0.10 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1hxm s SER 10 Cb 0.17 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.92 1hxm s SER 10 CO 0.77 -0.93 -0.01 -0.55 0.98 0.00 0.00 173.24 173.51 1hxm s SER 11 N -2.63 2.29 -0.19 7.02 0.15 0.45 -4.77 113.70 116.02 1hxm s SER 11 Ca 0.00 -0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 1hxm s SER 11 Cb -0.01 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 1hxm s SER 11 CO -0.11 -0.22 0.27 -0.89 1.20 0.00 0.00 173.24 173.48 1hxm s THR 12 N 1.84 5.31 0.03 6.45 2.01 -1.26 -0.70 115.64 129.33 1hxm s THR 12 Ca 0.02 0.46 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 1hxm s THR 12 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1hxm s THR 12 CO -0.07 0.36 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.65 1hxm s LYS 13 N 0.72 0.40 0.21 4.92 -0.14 0.10 -4.95 119.74 121.00 1hxm s LYS 13 Ca 0.14 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 53.93 1hxm s LYS 13 Cb -0.13 0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 36.12 1hxm s LYS 13 CO 0.04 -0.07 0.42 0.95 -0.76 0.00 0.00 175.35 175.93 1hxm s THR 14 N -2.24 5.17 0.55 2.17 -4.23 -1.26 -1.82 115.64 113.98 1hxm s THR 14 Ca -0.09 -0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 59.98 1hxm s THR 14 Cb -0.04 -3.72 -0.14 0.00 1.34 0.00 0.00 72.50 69.94 1hxm s THR 14 CO -0.04 -0.18 -0.03 0.18 -0.54 0.00 0.00 174.62 174.01 1hxm n LEU 15 N -0.65 -2.88 0.00 4.79 4.32 -1.20 -2.05 117.00 119.34 1hxm n LEU 15 Ca -0.04 0.64 0.00 0.00 -0.02 0.00 0.00 56.01 56.59 1hxm n LEU 15 Cb 0.54 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1hxm n LEU 15 CO 0.48 -4.50 0.00 -1.20 -1.22 0.00 0.00 177.39 170.95 1hxm n SER 16 N 2.12 0.00 -4.74 -1.43 7.64 -0.60 -4.95 113.62 111.65 1hxm n SER 16 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 1hxm n SER 16 Cb 0.48 -0.27 0.14 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.05 -0.18 1.43 1.02 -0.87 -4.22 119.74 117.98 1hxm s LYS 17 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1hxm s LYS 17 Cb 0.00 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1hxm s LYS 17 CO 0.00 -2.25 -0.16 -0.08 -0.92 0.00 0.00 175.35 171.94 1hxm s THR 18 N -3.28 2.45 0.21 2.17 -1.32 -1.26 0.17 115.64 114.77 1hxm s THR 18 Ca 0.64 -0.82 -0.08 0.00 -1.21 0.00 0.00 61.69 60.23 1hxm s THR 18 Cb -0.14 -2.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 1hxm s THR 18 CO 0.53 0.51 0.49 0.00 -2.21 0.00 0.00 174.62 173.95 1hxm s ALA 19 N 1.17 3.64 -0.25 11.08 0.00 0.31 -4.91 121.76 132.82 1hxm s ALA 19 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1hxm s ALA 19 Cb -0.14 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.74 1hxm s ALA 19 CO -0.07 0.53 0.07 1.03 0.00 0.00 0.00 175.76 177.32 1hxm s ARG 20 N -2.85 0.61 -0.22 0.00 0.52 -1.26 0.19 118.95 115.95 1hxm s ARG 20 Ca 0.45 -0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1hxm s ARG 20 Cb -0.11 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1hxm s ARG 20 CO 0.23 -0.81 0.12 -0.51 0.02 0.00 0.00 175.30 174.35 1hxm s LEU 21 N 1.81 4.01 0.17 2.53 1.02 0.17 -4.94 118.68 123.45 1hxm s LEU 21 Ca 0.04 0.10 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 43.95 1hxm s LEU 21 CO -0.18 0.11 0.29 -1.61 0.02 0.00 0.00 176.35 174.98 1hxm s GLU 22 N 0.78 3.39 -0.06 1.70 2.02 -1.26 -0.10 118.70 125.17 1hxm s GLU 22 Ca 0.06 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 1hxm s GLU 22 Cb -0.13 -2.92 0.04 0.00 0.10 0.00 0.00 34.13 31.22 1hxm s GLU 22 CO 0.02 0.50 0.10 0.00 0.02 0.00 0.00 175.26 175.90 1hxm s VAL 24 N 2.15 2.69 -0.10 0.00 -7.23 0.54 0.27 120.40 118.71 1hxm s VAL 24 Ca 0.03 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 1hxm s VAL 24 Cb -0.12 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1hxm s VAL 24 CO -0.04 0.50 0.13 0.68 -0.31 0.00 0.00 175.10 176.06 1hxm s VAL 25 N 1.02 5.39 0.03 1.32 -7.23 -0.89 -0.74 120.40 119.30 1hxm s VAL 25 Ca -0.01 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.29 1hxm s VAL 25 Cb -0.15 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 1hxm s VAL 25 CO -0.03 0.57 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.32 1hxm s SER 26 N -1.16 0.78 0.00 4.85 1.04 -0.97 -4.78 113.70 113.47 1hxm s SER 26 Ca 0.17 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1hxm s SER 26 Cb -0.12 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1hxm s SER 26 CO 0.06 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1hxm n GLY 27 N 1.91 0.94 3.11 7.32 0.00 -1.26 -1.75 105.19 115.46 1hxm n GLY 27 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.55 1.24 0.13 -0.61 -1.09 -1.26 -4.13 121.20 111.93 1hxm s ILE 28 Ca 0.00 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.48 1hxm s ILE 28 Cb 0.00 -1.06 -0.07 0.00 -1.58 0.00 0.00 42.46 39.75 1hxm s ILE 28 CO 0.00 0.36 1.24 0.28 -1.23 0.00 0.00 174.94 175.59 1hxm s THR 29 N -0.07 3.68 -0.01 2.92 -1.32 -1.26 -4.97 115.64 114.61 1hxm s THR 29 Ca -0.00 1.29 -0.03 0.00 -1.21 0.00 0.00 61.69 61.73 1hxm s THR 29 Cb -0.09 -3.82 -0.02 0.00 -1.51 0.00 0.00 72.50 67.06 1hxm s THR 29 CO 0.01 0.14 0.34 0.40 -2.21 0.00 0.00 174.62 173.31 1hxm h ILE 30 N 4.14 0.00 -1.42 5.08 5.03 -1.94 -3.42 117.51 124.98 1hxm h ILE 30 Ca -0.43 -0.19 -0.39 0.00 -0.12 0.00 0.00 64.86 63.73 1hxm h ILE 30 Cb 1.21 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.98 1hxm h ILE 30 CO 0.79 0.00 1.11 -0.44 -0.68 0.00 0.00 178.15 178.93 1hxm s SER 31 N -3.36 4.93 0.00 1.72 0.01 -1.26 -3.08 113.70 112.66 1hxm s SER 31 Ca -0.02 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1hxm s SER 31 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1hxm s SER 31 CO 0.05 -2.73 0.00 0.00 0.41 0.00 0.00 173.24 170.97 1hxm n ALA 32 N 14.30 0.00 -2.56 1.44 0.00 -1.26 -5.11 120.51 127.32 1hxm n ALA 32 Ca 0.31 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1hxm n ALA 32 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1hxm n ALA 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hxm s THR 33 N 0.00 3.11 0.21 0.00 -4.23 -1.18 -4.79 115.64 108.77 1hxm s THR 33 Ca 0.00 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1hxm s THR 33 Cb 0.00 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 1hxm s THR 33 CO 0.00 -0.23 0.43 -0.44 -0.54 0.00 0.00 174.62 173.84 1hxm s SER 34 N -3.79 6.43 -0.25 3.99 0.01 -1.26 -4.43 113.70 114.40 1hxm s SER 34 Ca 0.36 0.53 -0.10 0.00 1.31 0.00 0.00 55.95 58.05 1hxm s SER 34 Cb -0.03 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 1hxm s SER 34 CO 0.22 -0.07 0.16 -0.69 0.41 0.00 0.00 173.24 173.27 1hxm s VAL 35 N -1.88 5.30 0.20 3.43 1.01 -1.05 -4.43 120.40 122.98 1hxm s VAL 35 Ca 0.41 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1hxm s VAL 35 Cb -0.11 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1hxm s VAL 35 CO 0.28 0.33 0.19 -0.31 0.00 0.00 0.00 175.10 175.60 1hxm s TYR 36 N 1.18 3.19 -0.12 5.22 2.02 0.94 -1.61 117.35 128.17 1hxm s TYR 36 Ca 0.07 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1hxm s TYR 36 Cb -0.14 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1hxm s TYR 36 CO 0.05 0.51 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.94 1hxm s TRP 37 N -1.92 1.18 0.06 2.71 0.52 0.54 -1.12 118.94 120.91 1hxm s TRP 37 Ca 0.32 -0.63 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1hxm s TRP 37 Cb -0.09 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1hxm s TRP 37 CO 0.25 -0.48 0.04 0.71 0.02 0.00 0.00 176.95 177.49 1hxm s TYR 38 N 1.81 3.12 -0.12 -1.98 2.02 0.15 -0.34 117.35 122.01 1hxm s TYR 38 Ca 0.03 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1hxm s TYR 38 Cb -0.14 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1hxm s TYR 38 CO -0.07 0.50 -0.22 0.50 -1.57 0.00 0.00 175.55 174.69 1hxm s ARG 39 N -2.16 2.97 -0.57 -0.62 3.52 0.76 0.03 118.95 122.86 1hxm s ARG 39 Ca 0.26 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1hxm s ARG 39 Cb -0.12 -2.33 0.15 0.00 -1.56 0.00 0.00 34.95 31.08 1hxm s ARG 39 CO 0.18 0.06 0.35 -2.00 -0.81 0.00 0.00 175.30 173.09 1hxm s GLU 40 N 0.63 2.28 0.68 5.12 2.12 0.12 -1.62 118.70 128.03 1hxm s GLU 40 Ca -0.12 -2.59 -0.17 0.00 0.36 0.00 0.00 54.97 52.46 1hxm s GLU 40 Cb -0.16 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.71 1hxm s GLU 40 CO 0.03 -1.14 1.23 0.50 -0.54 0.00 0.00 175.26 175.34 1hxm s ARG 41 N -0.20 2.40 0.19 4.30 6.06 -1.26 -1.48 118.95 128.97 1hxm s ARG 41 Ca 0.17 1.86 -0.31 0.00 -2.50 0.00 0.00 55.73 54.96 1hxm s ARG 41 Cb -0.23 -1.85 -0.09 0.00 0.06 0.00 0.00 34.95 32.84 1hxm s ARG 41 CO -0.02 -1.66 1.42 -1.25 -2.50 0.00 0.00 175.30 171.29 1hxm s PRO 42 N -3.65 4.30 0.00 5.12 0.04 -1.26 -1.62 135.00 137.93 1hxm s PRO 42 Ca 0.77 2.19 0.00 0.00 0.04 0.00 0.00 61.00 64.01 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 0.00 177.00 177.45 1hxm n GLY 43 N 2.83 2.81 3.38 0.56 0.00 -1.26 -5.00 105.19 108.51 1hxm n GLY 43 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.42 -0.80 -3.98 1.61 1.02 -0.64 -5.10 120.64 112.32 1hxm n GLU 44 Ca 0.00 -1.98 -0.25 0.00 -0.02 0.00 0.00 57.16 54.92 1hxm n GLU 44 Cb 0.00 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 -3.29 5.12 0.18 2.62 0.11 -1.26 -4.73 120.40 119.16 1hxm s VAL 45 Ca 0.64 -0.86 -0.32 0.00 -2.93 0.00 0.00 61.98 58.51 1hxm s VAL 45 Cb -0.02 -3.67 -0.11 0.00 -1.53 0.00 0.00 36.38 31.04 1hxm s VAL 45 CO 0.44 -0.16 1.65 -0.63 -3.33 0.00 0.00 175.10 173.07 1hxm s ILE 46 N -1.82 2.32 0.05 7.04 1.01 -1.26 -4.53 121.20 124.01 1hxm s ILE 46 Ca 0.34 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1hxm s ILE 46 Cb -0.10 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1hxm s ILE 46 CO 0.28 0.02 -0.08 -1.58 0.00 0.00 0.00 174.94 173.57 1hxm s GLN 47 N 1.22 0.58 0.39 2.79 0.74 -0.64 -4.96 119.66 119.78 1hxm s GLN 47 Ca 0.73 -0.83 -0.27 0.00 0.05 0.00 0.00 55.36 55.03 1hxm s GLN 47 Cb -0.47 -0.33 -0.10 0.00 1.10 0.00 0.00 33.01 33.22 1hxm s GLN 47 CO 0.32 0.05 1.40 0.12 -0.55 0.00 0.00 175.29 176.63 1hxm s PHE 48 N -1.60 2.70 0.00 1.67 5.99 -1.26 -0.17 117.98 125.30 1hxm s PHE 48 Ca -0.07 1.29 0.00 0.00 0.00 0.00 0.00 56.93 58.15 1hxm s PHE 48 Cb -0.08 -3.86 0.00 0.00 0.00 0.00 0.00 43.02 39.08 1hxm s PHE 48 CO 0.00 -2.55 0.00 -0.11 -0.00 0.00 0.00 175.22 172.56 1hxm n LEU 49 N 0.32 0.00 -4.03 6.12 7.94 0.54 -4.65 117.00 123.25 1hxm n LEU 49 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 1hxm n LEU 49 Cb 0.41 -0.09 -0.07 0.00 0.53 0.00 0.00 43.42 44.20 1hxm n LEU 49 CO 0.60 -0.40 -0.02 0.68 -1.11 0.00 0.00 177.39 177.14 1hxm s VAL 50 N -0.81 0.03 -0.11 1.96 -7.23 -1.05 -0.45 120.40 112.74 1hxm s VAL 50 Ca 0.00 -1.54 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 1hxm s VAL 50 Cb 0.00 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1hxm s VAL 50 CO 0.00 -0.16 0.55 -0.94 -0.31 0.00 0.00 175.10 174.25 1hxm s SER 51 N -3.03 -0.53 -0.21 4.85 1.04 -0.45 -0.34 113.70 115.04 1hxm s SER 51 Ca 0.24 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.42 1hxm s SER 51 Cb 0.03 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.92 1hxm s SER 51 CO 0.05 -0.41 -0.15 -0.51 0.98 0.00 0.00 173.24 173.20 1hxm s ILE 52 N -0.63 2.20 1.12 -1.02 2.07 -0.63 -1.59 121.20 122.72 1hxm s ILE 52 Ca -0.07 -1.16 -0.15 0.00 -1.41 0.00 0.00 60.65 57.86 1hxm s ILE 52 Cb -0.03 -2.06 0.25 0.00 0.13 0.00 0.00 42.46 40.75 1hxm s ILE 52 CO 0.05 0.32 1.07 -0.55 -1.91 0.00 0.00 174.94 173.93 1hxm s SER 53 N 1.24 1.53 0.08 4.50 0.15 0.79 -2.53 113.70 119.46 1hxm s SER 53 Ca 0.00 1.04 -0.17 0.00 0.70 0.00 0.00 55.95 57.52 1hxm s SER 53 Cb -0.16 -1.60 -0.09 0.00 -1.71 0.00 0.00 66.02 62.47 1hxm s SER 53 CO -0.09 -3.79 1.46 0.10 1.20 0.00 0.00 173.24 172.11 1hxm h TYR 54 N -2.35 0.61 0.00 3.44 -0.00 -1.87 -2.80 116.97 114.00 1hxm h TYR 54 Ca -0.53 -0.15 0.00 0.00 -0.00 0.00 0.00 58.73 58.06 1hxm h TYR 54 Cb 1.33 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 1hxm h TYR 54 CO -0.63 0.78 0.00 -0.40 -0.00 0.00 0.00 178.16 177.91 1hxm n ASP 55 N -4.49 0.14 0.00 0.10 5.68 -1.26 -4.82 116.55 111.91 1hxm n ASP 55 Ca -0.04 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1hxm n ASP 55 Cb 0.34 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1hxm n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hxm n GLY 56 N -1.11 1.53 3.77 6.12 0.00 -1.06 -5.08 105.19 109.36 1hxm n GLY 56 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.22 2.85 -0.13 2.61 -4.23 -1.26 -4.71 115.64 108.54 1hxm s THR 57 Ca 0.00 0.82 0.02 0.00 -1.18 0.00 0.00 61.69 61.34 1hxm s THR 57 Cb 0.00 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1hxm s THR 57 CO 0.00 0.17 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.38 1hxm s VAL 58 N -1.20 1.73 0.03 2.29 1.01 -1.26 -0.15 120.40 122.85 1hxm s VAL 58 Ca 0.51 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1hxm s VAL 58 Cb -0.37 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1hxm s VAL 58 CO 0.49 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.96 1hxm s ARG 59 N 1.08 2.32 0.09 2.72 1.70 -0.62 -4.96 118.95 121.28 1hxm s ARG 59 Ca -0.03 -0.85 0.10 0.00 -0.47 0.00 0.00 55.73 54.47 1hxm s ARG 59 Cb -0.14 -2.36 -0.03 0.00 -0.57 0.00 0.00 34.95 31.85 1hxm s ARG 59 CO -0.05 0.57 -0.25 -1.59 -1.08 0.00 0.00 175.30 172.90 1hxm s LYS 60 N -1.49 1.48 0.87 3.89 -2.85 -1.26 -1.35 119.74 119.03 1hxm s LYS 60 Ca 0.16 -1.21 -0.13 0.00 -1.00 0.00 0.00 55.97 53.80 1hxm s LYS 60 Cb -0.11 -1.81 0.05 0.00 -2.06 0.00 0.00 37.83 33.91 1hxm s LYS 60 CO 0.07 0.44 0.75 -1.91 0.10 0.00 0.00 175.35 174.81 1hxm n GLU 61 N 1.29 -0.10 -1.91 1.78 4.07 0.40 -4.89 120.64 121.27 1hxm n GLU 61 Ca -0.18 0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.54 1hxm n GLU 61 Cb 0.53 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.81 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 6.50 0.00 4.31 0.15 -1.26 -2.68 113.70 118.66 1hxm s SER 62 Ca 0.64 2.89 0.00 0.00 0.70 0.00 0.00 55.95 60.18 1hxm s SER 62 Cb -0.26 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 1hxm s SER 62 CO 0.60 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1hxm n GLY 63 N 1.12 3.11 3.67 9.45 0.00 -1.26 -5.01 105.19 116.27 1hxm n GLY 63 Ca 0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.03 0.33 -0.96 -0.61 2.08 -1.09 -4.92 119.36 113.16 1hxm n ILE 64 Ca 0.00 -0.06 -0.29 0.00 0.56 0.00 0.00 62.75 62.96 1hxm n ILE 64 Cb 0.00 -1.63 0.19 0.00 -0.75 0.00 0.00 39.64 37.45 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 2.77 0.22 0.43 0.38 0.04 -1.26 -5.01 135.00 132.56 1hxm s PRO 65 Ca 0.88 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1hxm s PRO 65 Cb -0.74 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1hxm s PRO 65 CO 0.48 -2.93 1.00 0.45 0.04 0.00 0.00 177.00 176.04 1hxm s SER 66 N -3.12 6.76 -1.44 6.66 0.15 -1.26 -4.01 113.70 117.44 1hxm s SER 66 Ca 0.66 1.87 -0.12 0.00 0.70 0.00 0.00 55.95 59.06 1hxm s SER 66 Cb -0.21 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.63 1hxm s SER 66 CO 0.60 -0.49 0.67 0.61 1.20 0.00 0.00 173.24 175.83 1hxm n GLY 67 N -0.13 -0.48 0.30 9.45 0.00 -1.26 -4.86 105.19 108.20 1hxm n GLY 67 Ca 0.07 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.10 0.48 -4.26 1.61 3.00 -1.26 -4.81 118.16 108.82 1hxm n LYS 68 Ca 0.01 0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.27 1hxm n LYS 68 Cb 0.53 -1.30 -0.08 0.00 0.00 0.00 0.00 35.03 34.18 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 -2.43 2.72 -0.09 5.64 0.08 -1.26 -1.07 117.98 121.57 1hxm s PHE 69 Ca -0.31 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 56.47 1hxm s PHE 69 Cb 0.12 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1hxm s PHE 69 CO 0.39 0.54 0.23 -1.21 -0.10 0.00 0.00 175.22 175.07 1hxm s GLU 70 N -3.05 0.26 0.06 0.44 2.02 -0.61 -4.97 118.70 112.86 1hxm s GLU 70 Ca 0.27 0.32 0.05 0.00 0.02 0.00 0.00 54.97 55.63 1hxm s GLU 70 Cb -0.08 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 1hxm s GLU 70 CO 0.17 -0.03 -0.13 0.08 0.02 0.00 0.00 175.26 175.37 1hxm s VAL 71 N 0.14 1.00 0.25 2.63 1.01 -1.26 -0.19 120.40 123.98 1hxm s VAL 71 Ca -0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1hxm s VAL 71 Cb -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1hxm s VAL 71 CO 0.00 -0.20 0.44 1.51 0.00 0.00 0.00 175.10 176.86 1hxm s ASP 72 N -1.56 -0.03 -0.05 3.32 -4.77 -1.20 -4.98 116.67 107.40 1hxm s ASP 72 Ca -0.03 -1.00 -0.02 0.00 -3.30 0.00 0.00 52.55 48.20 1hxm s ASP 72 Cb -0.09 0.57 0.03 0.00 -1.09 0.00 0.00 42.92 42.34 1hxm s ASP 72 CO 0.02 -1.12 0.08 0.00 0.70 0.00 0.00 175.17 174.85 1hxm s ARG 73 N -3.98 -0.04 -0.69 2.11 1.70 -1.26 -2.85 118.95 113.94 1hxm s ARG 73 Ca 0.25 0.39 -0.04 0.00 -0.47 0.00 0.00 55.73 55.85 1hxm s ARG 73 Cb 0.00 -0.40 0.18 0.00 -0.57 0.00 0.00 34.95 34.16 1hxm s ARG 73 CO 0.10 -0.29 0.53 0.42 -1.08 0.00 0.00 175.30 174.97 1hxm s ILE 74 N 1.97 4.08 0.37 4.99 1.01 -0.01 -4.95 121.20 128.67 1hxm s ILE 74 Ca 0.02 -2.99 0.17 0.00 0.00 0.00 0.00 60.65 57.84 1hxm s ILE 74 Cb -0.12 -3.61 0.37 0.00 0.01 0.00 0.00 42.46 39.11 1hxm s ILE 74 CO -0.04 -0.92 1.72 1.55 0.00 0.00 0.00 174.94 177.25 1hxm h PRO 75 N 7.03 0.38 0.55 2.79 0.13 -1.94 0.45 132.00 141.38 1hxm h PRO 75 Ca 0.02 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1hxm h PRO 75 Cb 0.95 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.00 1hxm h PRO 75 CO 0.73 0.25 -0.26 0.93 -0.23 0.00 0.00 178.00 179.42 1hxm h GLU 76 N 0.39 -0.71 0.00 0.86 3.07 -1.96 -2.56 114.58 113.67 1hxm h GLU 76 Ca 0.66 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1hxm h GLU 76 Cb 1.60 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 1hxm h GLU 76 CO -0.42 -0.40 0.00 0.25 -1.40 0.00 0.00 179.01 177.04 1hxm n THR 77 N -5.31 0.00 -2.70 1.13 -2.24 -0.96 -4.89 114.28 99.31 1hxm n THR 77 Ca -0.11 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1hxm n THR 77 Cb 0.33 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.00 -4.97 -4.32 3.42 2.88 0.15 -4.91 113.62 104.86 1hxm n SER 78 Ca 0.22 -0.07 -0.21 0.00 -1.33 0.00 0.00 58.87 57.48 1hxm n SER 78 Cb 0.10 -4.12 -0.11 0.00 -0.75 0.00 0.00 64.21 59.32 1hxm n SER 78 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1hxm s THR 79 N -2.92 1.75 0.04 2.46 -4.23 -1.00 -2.09 115.64 109.65 1hxm s THR 79 Ca 0.13 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1hxm s THR 79 Cb -0.06 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 1hxm s THR 79 CO 0.16 -0.35 -0.24 -0.55 -0.54 0.00 0.00 174.62 173.10 1hxm s SER 80 N -2.68 3.35 -0.09 3.99 0.15 0.14 -0.83 113.70 117.73 1hxm s SER 80 Ca 0.15 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hxm s SER 80 Cb -0.05 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1hxm s SER 80 CO 0.06 0.26 -0.05 -0.89 1.20 0.00 0.00 173.24 173.81 1hxm s THR 81 N -0.84 0.82 -0.21 6.45 2.01 -1.13 -0.62 115.64 122.11 1hxm s THR 81 Ca 0.13 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.78 1hxm s THR 81 Cb -0.10 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1hxm s THR 81 CO 0.03 0.33 0.47 -0.22 -0.69 0.00 0.00 174.62 174.54 1hxm s LEU 82 N 1.66 4.13 -0.19 4.42 2.96 0.86 -3.27 118.68 129.25 1hxm s LEU 82 Ca 0.03 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1hxm s LEU 82 Cb -0.13 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1hxm s LEU 82 CO -0.06 -0.17 0.03 -0.89 -1.32 0.00 0.00 176.35 173.95 1hxm s THR 83 N 1.67 4.42 -0.29 3.68 2.01 0.73 -0.65 115.64 127.20 1hxm s THR 83 Ca 0.21 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1hxm s THR 83 Cb -0.15 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 69.42 1hxm s THR 83 CO 0.09 0.44 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.80 1hxm s ILE 84 N 0.64 2.79 0.53 1.82 1.01 0.13 -1.57 121.20 126.55 1hxm s ILE 84 Ca 0.02 -1.42 -0.11 0.00 0.00 0.00 0.00 60.65 59.13 1hxm s ILE 84 Cb -0.14 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1hxm s ILE 84 CO 0.02 -0.07 0.92 -1.00 0.00 0.00 0.00 174.94 174.81 1hxm s HIS 85 N 1.22 3.54 -0.88 3.97 3.76 -0.23 -0.53 115.29 126.15 1hxm s HIS 85 Ca -0.06 1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.84 1hxm s HIS 85 Cb -0.20 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 30.92 1hxm s HIS 85 CO -0.02 -0.42 0.39 -1.71 -0.85 0.00 0.00 174.74 172.13 1hxm n ASN 86 N -2.09 -2.26 -4.59 1.40 5.15 -1.22 -4.80 115.26 106.85 1hxm n ASN 86 Ca 0.04 -0.91 -0.40 0.00 -0.60 0.00 0.00 54.58 52.72 1hxm n ASN 86 Cb 0.54 -1.09 0.03 0.00 -0.53 0.00 0.00 39.78 38.73 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 -3.76 2.84 -4.08 3.44 3.14 0.13 -4.65 118.33 115.38 1hxm n VAL 87 Ca -0.10 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.64 1hxm n VAL 87 Cb 0.40 -1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 32.07 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 -2.28 1.89 0.22 1.45 -1.05 -1.26 -1.56 118.70 116.10 1hxm s GLU 88 Ca 0.68 -1.72 -0.08 0.00 -0.15 0.00 0.00 54.97 53.70 1hxm s GLU 88 Cb -0.49 0.45 0.34 0.00 -0.44 0.00 0.00 34.13 33.99 1hxm s GLU 88 CO 0.53 -0.78 1.72 0.87 0.95 0.00 0.00 175.26 178.55 1hxm h LYS 89 N 2.12 0.35 0.00 -4.83 1.79 -1.95 -0.63 116.57 113.43 1hxm h LYS 89 Ca -0.28 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1hxm h LYS 89 Cb 1.24 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1hxm h LYS 89 CO 0.39 0.23 0.00 0.00 -1.08 0.00 0.00 179.45 178.99 1hxm n GLN 90 N -5.05 0.55 0.00 3.15 10.64 -1.26 -1.79 117.38 123.62 1hxm n GLN 90 Ca 0.11 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.39 1hxm n GLN 90 Cb 0.34 -1.29 0.04 0.00 -0.86 0.00 0.00 30.24 28.47 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 -0.79 2.42 -4.68 2.61 10.43 -0.24 -4.90 116.55 121.40 1hxm n ASP 91 Ca 0.08 -1.71 -0.42 0.00 2.57 0.00 0.00 54.79 55.30 1hxm n ASP 91 Cb 0.03 0.28 -0.03 0.00 1.84 0.00 0.00 41.12 43.25 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 -2.28 3.93 0.00 0.53 1.01 -0.74 -4.83 121.20 118.82 1hxm s ILE 92 Ca 0.22 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1hxm s ILE 92 Cb 0.19 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1hxm s ILE 92 CO 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 175.36 1hxm n ALA 93 N 5.92 0.00 -2.72 9.38 0.00 -1.23 -4.19 120.51 127.66 1hxm n ALA 93 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1hxm n ALA 93 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 5.39 -0.19 0.00 2.01 -0.55 -1.48 115.64 118.82 1hxm s THR 94 Ca 0.00 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.19 1hxm s THR 94 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1hxm s THR 94 CO 0.00 0.42 0.04 -0.31 -0.69 0.00 0.00 174.62 174.09 1hxm s TYR 95 N 0.43 3.16 0.08 4.92 2.02 0.40 0.12 117.35 128.48 1hxm s TYR 95 Ca 0.09 -0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.77 1hxm s TYR 95 Cb -0.11 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1hxm s TYR 95 CO -0.01 0.01 -0.20 0.71 -1.57 0.00 0.00 175.55 174.49 1hxm s TYR 96 N 0.63 2.50 0.01 2.71 2.02 0.10 -1.02 117.35 124.31 1hxm s TYR 96 Ca 0.02 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.51 1hxm s TYR 96 Cb -0.13 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1hxm s TYR 96 CO 0.02 0.29 -0.22 0.00 -1.57 0.00 0.00 175.55 174.07 1hxm s ALA 98 N -0.78 -0.55 0.15 0.00 0.00 -0.28 0.13 121.76 120.43 1hxm s ALA 98 Ca 0.12 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1hxm s ALA 98 Cb -0.10 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.76 1hxm s ALA 98 CO 0.02 -0.64 0.43 -0.48 0.00 0.00 0.00 175.76 175.09 1hxm s LEU 99 N -2.87 0.33 -0.16 0.00 2.34 -0.31 -0.04 118.68 117.97 1hxm s LEU 99 Ca 0.08 -0.40 -0.19 0.00 0.06 0.00 0.00 54.13 53.68 1hxm s LEU 99 Cb 0.02 1.89 -0.03 0.00 -0.56 0.00 0.00 46.19 47.51 1hxm s LEU 99 CO -0.07 -0.92 0.54 0.26 -1.06 0.00 0.00 176.35 175.10 1hxm s TRP 100 N -3.84 3.43 -0.29 3.48 0.52 -1.26 0.23 118.94 121.21 1hxm s TRP 100 Ca 0.06 0.87 -0.10 0.00 0.02 0.00 0.00 56.10 56.95 1hxm s TRP 100 Cb 0.01 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 1hxm s TRP 100 CO -0.08 -0.01 0.16 -2.00 0.02 0.00 0.00 176.95 175.03 1hxm s GLU 101 N 1.29 3.63 0.36 4.98 2.12 0.27 -4.92 118.70 126.43 1hxm s GLU 101 Ca 0.26 -0.52 -0.27 0.00 0.36 0.00 0.00 54.97 54.80 1hxm s GLU 101 Cb -0.16 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 1hxm s GLU 101 CO 0.11 -0.29 1.24 0.00 -0.54 0.00 0.00 175.26 175.77 1hxm s ALA 102 N 1.68 3.35 0.51 6.30 0.00 -1.26 -2.36 121.76 129.97 1hxm s ALA 102 Ca 0.06 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1hxm s ALA 102 Cb -0.16 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1hxm s ALA 102 CO 0.08 -0.58 0.53 -0.65 0.00 0.00 0.00 175.76 175.13 1hxm s GLN 103 N -1.96 2.39 0.06 0.00 -1.52 -0.13 -4.96 119.66 113.54 1hxm s GLN 103 Ca 0.52 -1.71 -0.21 0.00 -1.95 0.00 0.00 55.36 52.01 1hxm s GLN 103 Cb -0.36 -2.39 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 1hxm s GLN 103 CO 0.47 -0.55 1.33 -0.56 -0.25 0.00 0.00 175.29 175.73 1hxm h GLN 104 N 0.64 -0.43 -6.86 2.91 -0.00 -1.96 -3.44 115.11 105.96 1hxm h GLN 104 Ca -0.36 0.03 -0.47 0.00 -0.00 0.00 0.00 58.65 57.85 1hxm h GLN 104 Cb 1.29 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 28.84 1hxm h GLN 104 CO 0.51 -0.29 0.20 -1.83 -0.00 0.00 0.00 178.83 177.43 1hxm s GLU 105 N -4.63 4.12 0.31 0.06 -1.05 -1.26 -5.01 118.70 111.24 1hxm s GLU 105 Ca -0.10 0.88 -0.25 0.00 -0.15 0.00 0.00 54.97 55.35 1hxm s GLU 105 Cb 0.04 -2.36 -0.15 0.00 -0.44 0.00 0.00 34.13 31.22 1hxm s GLU 105 CO 0.36 0.09 0.56 -0.11 0.95 0.00 0.00 175.26 177.11 1hxm n LEU 106 N -0.41 -0.54 0.00 1.83 7.94 -1.26 -1.51 117.00 123.05 1hxm n LEU 106 Ca 0.05 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1hxm n LEU 106 Cb 0.53 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1hxm n LEU 106 CO 0.40 -2.83 0.00 0.61 -1.11 0.00 0.00 177.39 174.46 1hxm n GLY 107 N 1.83 1.80 3.65 -3.96 0.00 -1.26 -4.96 105.19 102.30 1hxm n GLY 107 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.21 -0.26 1.61 -0.14 -0.57 -5.01 119.74 119.59 1hxm s LYS 108 Ca 0.00 0.99 -0.23 0.00 -1.36 0.00 0.00 55.97 55.37 1hxm s LYS 108 Cb 0.00 -3.63 0.07 0.00 -1.68 0.00 0.00 37.83 32.59 1hxm s LYS 108 CO 0.00 -0.49 0.69 -1.59 -0.76 0.00 0.00 175.35 173.20 1hxm s LYS 109 N 2.72 0.79 0.03 1.68 -2.85 -1.26 -0.96 119.74 119.89 1hxm s LYS 109 Ca 0.36 0.99 0.09 0.00 -1.00 0.00 0.00 55.97 56.41 1hxm s LYS 109 Cb -0.15 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1hxm s LYS 109 CO 0.08 -0.10 -0.25 0.42 0.10 0.00 0.00 175.35 175.60 1hxm s ILE 110 N 0.54 2.01 -0.30 3.79 1.01 -1.00 -4.93 121.20 122.33 1hxm s ILE 110 Ca -0.01 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.20 1hxm s ILE 110 Cb -0.05 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1hxm s ILE 110 CO -0.02 0.38 0.42 -0.75 0.00 0.00 0.00 174.94 174.98 1hxm s LYS 111 N -1.07 3.84 -0.07 2.79 2.20 -1.26 -0.57 119.74 125.60 1hxm s LYS 111 Ca 0.10 -0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.49 1hxm s LYS 111 Cb -0.10 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1hxm s LYS 111 CO 0.01 -0.42 0.45 0.08 -0.36 0.00 0.00 175.35 175.11 1hxm s VAL 112 N 2.17 5.11 0.17 4.02 1.01 0.13 -4.90 120.40 128.13 1hxm s VAL 112 Ca 0.16 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1hxm s VAL 112 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1hxm s VAL 112 CO 0.11 0.43 -0.00 -0.36 0.00 0.00 0.00 175.10 175.28 1hxm s PHE 113 N -0.08 2.84 0.70 5.22 0.40 -1.26 -1.16 117.98 124.64 1hxm s PHE 113 Ca 0.25 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.37 1hxm s PHE 113 Cb -0.16 -1.37 0.06 0.00 0.51 0.00 0.00 43.02 42.06 1hxm s PHE 113 CO 0.11 0.52 1.01 0.20 0.70 0.00 0.00 175.22 177.76 1hxm s GLY 114 N -2.94 1.69 0.50 4.36 0.00 0.12 -4.56 107.32 106.49 1hxm s GLY 114 Ca 0.27 -0.92 0.28 0.00 0.00 0.00 0.00 44.72 44.35 1hxm s GLY 114 CO 0.18 -0.52 1.97 -0.56 0.00 0.00 0.00 173.10 174.17 1hxm h PRO 115 N -0.59 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 129.12 1hxm h PRO 115 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hxm h PRO 115 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1hxm h PRO 115 CO 0.60 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1hxm n GLY 116 N -0.22 2.21 2.98 1.56 0.00 -1.26 -5.01 105.19 105.45 1hxm n GLY 116 Ca -0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.38 0.84 -0.20 2.61 2.01 -0.19 -4.76 115.64 113.57 1hxm s THR 117 Ca 0.00 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1hxm s THR 117 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1hxm s THR 117 CO 0.00 0.28 0.34 -0.54 -0.69 0.00 0.00 174.62 174.01 1hxm s LYS 118 N 0.57 4.17 -0.32 4.92 1.02 -0.92 -0.46 119.74 128.73 1hxm s LYS 118 Ca -0.10 0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 1hxm s LYS 118 Cb -0.13 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 1hxm s LYS 118 CO 0.02 0.02 0.53 -1.17 -0.92 0.00 0.00 175.35 173.82 1hxm s LEU 119 N 1.15 4.23 -0.18 3.17 2.96 -0.55 -0.41 118.68 129.05 1hxm s LEU 119 Ca 0.17 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1hxm s LEU 119 Cb -0.14 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1hxm s LEU 119 CO 0.07 -0.43 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.02 1hxm s ILE 120 N 2.41 3.89 -0.27 6.68 1.01 0.12 -3.55 121.20 131.49 1hxm s ILE 120 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1hxm s ILE 120 Cb -0.15 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.63 1hxm s ILE 120 CO 0.12 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.84 1hxm s ILE 121 N 0.67 2.77 0.25 2.92 -1.09 -1.26 0.00 121.20 125.47 1hxm s ILE 121 Ca -0.01 -1.25 0.01 0.00 -2.23 0.00 0.00 60.65 57.16 1hxm s ILE 121 Cb -0.14 -2.50 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1hxm s ILE 121 CO 0.02 0.06 0.08 0.35 -1.23 0.00 0.00 174.94 174.23 1hxm n THR 122 N 4.61 0.00 0.42 2.92 -2.24 -0.76 -4.96 114.28 114.27 1hxm n THR 122 Ca -0.15 -1.11 0.04 0.00 -2.27 0.00 0.00 64.05 60.56 1hxm n THR 122 Cb 0.45 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1hxm n THR 122 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hxm n ASP 123 N -1.47 0.73 -3.69 3.42 9.92 -1.26 -3.21 116.55 120.99 1hxm n ASP 123 Ca -0.06 -0.86 -0.10 0.00 -0.53 0.00 0.00 54.79 53.23 1hxm n ASP 123 Cb 0.31 0.78 -0.11 0.00 -0.64 0.00 0.00 41.12 41.46 1hxm n ASP 123 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1hxm s LYS 124 N -1.61 0.37 -1.09 -1.24 2.47 -1.26 -4.97 119.74 112.41 1hxm s LYS 124 Ca 0.05 0.80 -0.07 0.00 -1.56 0.00 0.00 55.97 55.19 1hxm s LYS 124 Cb 0.07 0.00 0.28 0.00 -1.46 0.00 0.00 37.83 36.73 1hxm s LYS 124 CO 0.31 -0.17 1.18 1.04 0.16 0.00 0.00 175.35 177.87 1hxm n GLN 125 N 4.40 3.69 -1.59 4.03 1.13 -1.26 -5.03 117.38 122.75 1hxm n GLN 125 Ca -0.22 -4.49 -0.55 0.00 -1.94 0.00 0.00 57.00 49.80 1hxm n GLN 125 Cb 0.54 -2.53 -0.07 0.00 0.11 0.00 0.00 30.24 28.30 1hxm n GLN 125 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1hxm n LEU 126 N 2.31 1.29 -3.84 1.08 4.77 -1.26 -4.79 117.00 116.56 1hxm n LEU 126 Ca 0.24 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.93 1hxm n LEU 126 Cb 0.38 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 1hxm n LEU 126 CO 0.52 -1.18 2.53 0.47 -1.33 0.00 0.00 177.39 178.41 1hxm n ASP 127 N 2.70 3.86 -3.91 -1.43 8.00 -1.26 -4.85 116.55 119.66 1hxm n ASP 127 Ca 0.20 -2.83 -0.11 0.00 0.71 0.00 0.00 54.79 52.77 1hxm n ASP 127 Cb 0.14 -1.62 -0.12 0.00 -0.02 0.00 0.00 41.12 39.50 1hxm n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hxm s ALA 128 N 3.60 -0.01 -0.14 2.24 0.00 -1.26 -5.10 121.76 121.09 1hxm s ALA 128 Ca 0.49 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1hxm s ALA 128 Cb 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 1hxm s ALA 128 CO -0.05 -0.09 2.03 0.34 0.00 0.00 0.00 175.76 177.99 1hxm s ASP 129 N -0.74 5.93 0.00 0.00 3.68 -1.26 -4.81 116.67 119.46 1hxm s ASP 129 Ca -0.08 2.09 0.00 0.00 2.13 0.00 0.00 52.55 56.69 1hxm s ASP 129 Cb -0.05 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 1hxm s ASP 129 CO -0.00 -1.55 0.65 0.52 0.13 0.00 0.00 175.17 174.91 1hxm n VAL 130 N 6.82 0.33 -1.92 1.11 0.31 -1.26 -4.97 118.33 118.75 1hxm n VAL 130 Ca 0.25 -0.64 -0.38 0.00 -0.01 0.00 0.00 64.34 63.56 1hxm n VAL 130 Cb 0.44 0.87 0.02 0.00 -0.91 0.00 0.00 33.84 34.26 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 -0.33 5.58 0.24 4.52 1.04 -1.25 -2.80 113.70 120.71 1hxm s SER 131 Ca 0.00 2.65 -0.31 0.00 0.48 0.00 0.00 55.95 58.77 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 1.59 -2.84 0.98 0.00 0.00 173.24 171.62 1hxm s PRO 132 N -2.79 4.17 -0.32 4.02 0.02 -1.26 -4.42 135.00 134.41 1hxm s PRO 132 Ca 0.68 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 64.06 1hxm s PRO 132 Cb -0.37 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 1hxm s PRO 132 CO 0.45 -0.61 0.24 0.15 -0.33 0.00 0.00 177.00 176.90 1hxm s LYS 133 N 0.27 3.64 0.71 5.54 -0.14 -0.61 -4.88 119.74 124.27 1hxm s LYS 133 Ca 0.67 -0.52 -0.11 0.00 -1.36 0.00 0.00 55.97 54.65 1hxm s LYS 133 Cb -0.46 -3.76 0.01 0.00 -1.68 0.00 0.00 37.83 31.94 1hxm s LYS 133 CO 0.40 -0.37 1.07 -1.25 -0.76 0.00 0.00 175.35 174.43 1hxm s PRO 134 N 1.77 2.86 -0.25 -1.68 0.04 -1.26 -2.25 135.00 134.23 1hxm s PRO 134 Ca 0.07 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1hxm s PRO 134 Cb -0.17 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1hxm s PRO 134 CO 0.11 -1.11 0.52 0.99 0.04 0.00 0.00 177.00 177.54 1hxm s THR 135 N -3.13 -0.80 0.27 1.26 2.01 -0.59 -4.95 115.64 109.71 1hxm s THR 135 Ca 0.58 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 1hxm s THR 135 Cb -0.13 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1hxm s THR 135 CO 0.54 0.02 0.90 -0.63 -0.69 0.00 0.00 174.62 174.77 1hxm s ILE 136 N 2.73 4.23 -0.21 1.82 -1.09 -1.26 -2.03 121.20 125.39 1hxm s ILE 136 Ca -0.01 1.83 -0.03 0.00 -2.23 0.00 0.00 60.65 60.21 1hxm s ILE 136 Cb -0.12 -4.09 0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1hxm s ILE 136 CO -0.16 0.29 0.06 -0.36 -1.23 0.00 0.00 174.94 173.54 1hxm s PHE 137 N -1.44 0.87 0.22 3.97 0.08 -0.90 -5.00 117.98 115.78 1hxm s PHE 137 Ca 0.45 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 56.52 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 -0.63 0.63 -0.51 -0.10 0.00 0.00 175.22 174.86 1hxm s LEU 138 N 1.91 4.24 0.95 -0.37 1.43 -1.26 -2.35 118.68 123.23 1hxm s LEU 138 Ca 0.01 1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 1hxm s LEU 138 Cb -0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1hxm s LEU 138 CO -0.12 -0.02 0.20 -2.65 0.23 0.00 0.00 176.35 173.99 1hxm n PRO 139 N 0.32 -0.22 -3.04 1.29 -0.02 -1.23 -4.94 135.00 127.16 1hxm n PRO 139 Ca -0.01 -0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 1hxm n PRO 139 Cb 0.52 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.82 7.22 0.20 2.55 1.04 -1.26 -4.95 113.70 116.67 1hxm s SER 140 Ca 0.54 1.45 -0.19 0.00 0.48 0.00 0.00 55.95 58.24 1hxm s SER 140 Cb -0.21 -2.45 0.16 0.00 0.10 0.00 0.00 66.02 63.62 1hxm s SER 140 CO 0.70 0.11 1.59 0.40 0.98 0.00 0.00 173.24 177.02 1hxm h ILE 141 N 3.82 0.20 -0.88 -1.02 2.04 -1.99 0.05 117.51 119.72 1hxm h ILE 141 Ca -0.46 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.64 1hxm h ILE 141 Cb 1.21 0.20 -0.15 0.00 -0.74 0.00 0.00 36.82 37.34 1hxm h ILE 141 CO 0.68 0.00 0.20 0.00 0.00 0.00 0.00 178.15 179.03 1hxm h ALA 142 N 1.17 1.24 -0.81 1.87 0.00 -1.99 -0.35 119.26 120.39 1hxm h ALA 142 Ca 0.26 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.47 1hxm h ALA 142 Cb 0.54 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1hxm h ALA 142 CO -0.70 -0.49 0.53 1.49 0.00 0.00 0.00 179.25 180.09 1hxm h GLU 143 N 0.17 0.86 0.00 0.00 4.81 -1.29 -0.48 114.58 118.66 1hxm h GLU 143 Ca 0.55 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1hxm h GLU 143 Cb 1.11 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1hxm h GLU 143 CO -0.69 0.57 0.00 2.41 -0.73 0.00 0.00 179.01 180.57 1hxm n THR 144 N -4.48 1.77 0.46 0.32 -1.04 -0.14 0.49 114.28 111.66 1hxm n THR 144 Ca 0.12 0.51 0.10 0.00 -2.04 0.00 0.00 64.05 62.74 1hxm n THR 144 Cb 0.21 -1.49 0.14 0.00 -1.82 0.00 0.00 70.33 67.38 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 -1.61 2.03 0.00 -2.82 4.01 -0.19 -3.50 118.16 116.08 1hxm n LYS 145 Ca 0.00 -1.91 0.00 0.00 -0.51 0.00 0.00 58.31 55.89 1hxm n LYS 145 Cb 0.02 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 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 1.15 0.00 -1.23 -0.35 7.94 0.18 -4.47 117.00 120.22 1hxm n LEU 146 Ca 0.14 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1hxm n LEU 146 Cb 0.51 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.63 1hxm n LEU 146 CO 0.13 0.00 0.60 0.00 -1.11 0.00 0.00 177.39 177.00 1hxm n GLN 147 N 0.00 2.66 -3.51 1.96 3.00 -1.26 -4.80 117.38 115.44 1hxm n GLN 147 Ca 0.00 -1.48 -0.26 0.00 -0.01 0.00 0.00 57.00 55.25 1hxm n GLN 147 Cb 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 30.24 28.45 1hxm n GLN 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1hxm n LYS 148 N 0.21 -5.26 -4.42 -1.09 4.76 -1.23 -4.55 118.16 106.58 1hxm n LYS 148 Ca 0.15 0.69 -0.31 0.00 -2.87 0.00 0.00 58.31 55.97 1hxm n LYS 148 Cb 0.76 -5.56 -0.04 0.00 -1.84 0.00 0.00 35.03 28.35 1hxm n LYS 148 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hxm s ALA 149 N -3.19 4.32 -0.00 7.82 0.00 -1.25 -3.08 121.76 126.39 1hxm s ALA 149 Ca 0.50 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1hxm s ALA 149 Cb -0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 1hxm s ALA 149 CO 0.62 -0.19 0.09 0.20 0.00 0.00 0.00 175.76 176.48 1hxm s GLY 150 N -4.06 0.07 -0.18 0.00 0.00 -0.83 -2.87 107.32 99.45 1hxm s GLY 150 Ca 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.70 1hxm s GLY 150 CO 0.09 -0.27 -0.06 -1.59 0.00 0.00 0.00 173.10 171.27 1hxm s THR 151 N -1.15 1.22 0.43 0.90 2.01 -1.26 0.19 115.64 117.98 1hxm s THR 151 Ca -0.12 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 1hxm s THR 151 Cb -0.07 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.98 1hxm s THR 151 CO 0.01 0.10 0.77 -0.31 -0.69 0.00 0.00 174.62 174.50 1hxm s TYR 152 N 1.58 3.50 -0.20 4.92 2.02 0.16 -3.47 117.35 125.85 1hxm s TYR 152 Ca -0.00 0.98 -0.04 0.00 -0.37 0.00 0.00 57.07 57.63 1hxm s TYR 152 Cb -0.16 -2.40 0.10 0.00 -0.40 0.00 0.00 41.96 39.10 1hxm s TYR 152 CO -0.08 -0.16 0.34 -1.17 -1.57 0.00 0.00 175.55 172.91 1hxm s LEU 153 N -4.12 -0.49 -0.17 -1.29 2.96 -0.99 -0.93 118.68 113.65 1hxm s LEU 153 Ca 0.50 0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 54.82 1hxm s LEU 153 Cb -0.10 0.98 -0.03 0.00 0.50 0.00 0.00 46.19 47.53 1hxm s LEU 153 CO 0.36 -0.27 0.00 0.00 -1.32 0.00 0.00 176.35 175.12 1hxm s LEU 155 N 0.48 3.56 -0.15 0.00 2.96 -0.86 -1.73 118.68 122.94 1hxm s LEU 155 Ca -0.01 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1hxm s LEU 155 Cb -0.14 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1hxm s LEU 155 CO 0.02 0.13 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.21 1hxm s LEU 156 N 0.63 2.09 0.18 -0.68 1.43 0.00 -1.54 118.68 120.79 1hxm s LEU 156 Ca 0.01 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1hxm s LEU 156 Cb -0.14 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1hxm s LEU 156 CO 0.02 0.06 0.16 -1.83 0.23 0.00 0.00 176.35 174.98 1hxm s GLU 157 N 0.95 1.16 -1.27 1.70 -1.05 -0.95 -0.23 118.70 119.00 1hxm s GLU 157 Ca -0.04 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.27 1hxm s GLU 157 Cb -0.15 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1hxm s GLU 157 CO -0.05 -0.38 0.00 1.63 0.95 0.00 0.00 175.26 177.41 1hxm n LYS 158 N -0.23 -1.09 -4.00 -4.83 5.02 -0.30 -1.57 118.16 111.15 1hxm n LYS 158 Ca -0.01 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.72 1hxm n LYS 158 Cb 0.65 -4.99 -0.06 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 3.33 -0.08 2.13 -0.71 -1.00 -4.50 117.98 114.48 1hxm s PHE 159 Ca 0.00 0.16 -0.06 0.00 -1.04 0.00 0.00 56.93 55.98 1hxm s PHE 159 Cb 0.00 -1.69 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 1hxm s PHE 159 CO 0.00 0.55 -0.13 0.34 -1.34 0.00 0.00 175.22 174.65 1hxm n PHE 160 N 0.46 0.36 -0.41 3.49 -0.00 -1.12 -0.49 117.46 119.74 1hxm n PHE 160 Ca -0.08 0.16 0.38 0.00 -0.00 0.00 0.00 57.45 57.91 1hxm n PHE 160 Cb 0.51 -0.46 0.61 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 -0.55 0.00 0.00 -7.13 0.11 -1.98 -3.43 132.00 119.02 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 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 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 -3.56 0.00 -4.61 -2.05 3.85 -1.26 -4.93 116.55 103.98 1hxm n ASP 162 Ca 0.32 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.97 1hxm n ASP 162 Cb 1.70 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 41.38 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 -1.15 4.43 0.11 2.12 1.01 -1.26 -4.98 120.40 120.67 1hxm s VAL 163 Ca 0.00 1.32 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 1hxm s VAL 163 Cb 0.00 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1hxm s VAL 163 CO 0.00 -0.70 0.13 -0.51 0.00 0.00 0.00 175.10 174.02 1hxm s ILE 164 N 3.87 0.13 -0.05 2.22 2.07 -1.26 -4.55 121.20 123.63 1hxm s ILE 164 Ca 0.43 -1.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.10 1hxm s ILE 164 Cb -0.10 -1.67 0.04 0.00 0.13 0.00 0.00 42.46 40.85 1hxm s ILE 164 CO 0.23 -0.60 0.10 -0.75 -1.91 0.00 0.00 174.94 172.01 1hxm s LYS 165 N -3.94 0.01 -0.05 3.50 2.47 -0.98 -5.02 119.74 115.73 1hxm s LYS 165 Ca 0.13 0.38 0.04 0.00 -1.56 0.00 0.00 55.97 54.95 1hxm s LYS 165 Cb 0.06 -0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.14 1hxm s LYS 165 CO -0.05 -0.24 -0.15 0.42 0.16 0.00 0.00 175.35 175.49 1hxm s ILE 166 N 1.65 1.32 0.17 5.43 1.01 -1.26 -1.05 121.20 128.46 1hxm s ILE 166 Ca -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1hxm s ILE 166 Cb -0.12 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 1hxm s ILE 166 CO -0.05 0.39 0.34 -1.38 0.00 0.00 0.00 174.94 174.24 1hxm s HIS 167 N 0.19 0.28 0.35 3.97 -3.43 -1.07 -5.02 115.29 110.56 1hxm s HIS 167 Ca -0.06 -0.64 0.09 0.00 -0.80 0.00 0.00 55.06 53.64 1hxm s HIS 167 Cb -0.12 0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 31.02 1hxm s HIS 167 CO 0.03 -0.77 0.04 -1.58 -2.00 0.00 0.00 174.74 170.45 1hxm s TRP 168 N -3.95 2.56 0.34 0.38 0.52 -1.26 -1.57 118.94 115.96 1hxm s TRP 168 Ca 0.15 -0.46 -0.15 0.00 0.02 0.00 0.00 56.10 55.66 1hxm s TRP 168 Cb 0.02 -1.57 0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1hxm s TRP 168 CO -0.00 0.43 0.70 -1.21 0.02 0.00 0.00 176.95 176.89 1hxm s GLU 169 N -3.75 2.01 0.33 4.98 2.02 -0.74 -3.38 118.70 120.17 1hxm s GLU 169 Ca 0.36 -1.35 0.08 0.00 0.02 0.00 0.00 54.97 54.08 1hxm s GLU 169 Cb 0.01 0.58 -0.03 0.00 0.10 0.00 0.00 34.13 34.79 1hxm s GLU 169 CO 0.20 -0.92 0.26 -1.21 0.02 0.00 0.00 175.26 173.62 1hxm s GLU 170 N -3.00 2.69 0.00 1.61 2.02 -1.22 -0.64 118.70 120.16 1hxm s GLU 170 Ca 0.17 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1hxm s GLU 170 Cb -0.04 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1hxm s GLU 170 CO 0.11 0.12 0.00 1.17 0.02 0.00 0.00 175.26 176.68 1hxm n LYS 171 N -1.33 0.00 0.01 1.61 3.00 0.06 -3.87 118.16 117.64 1hxm n LYS 171 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.11 1hxm n LYS 171 Cb 0.60 -0.47 -0.13 0.00 0.00 0.00 0.00 35.03 35.03 1hxm n LYS 171 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1hxm h LYS 172 N 0.00 0.29 -5.47 1.64 1.57 -1.99 -3.40 116.57 109.22 1hxm h LYS 172 Ca 0.00 -0.39 -0.65 0.00 -1.87 0.00 0.00 60.65 57.74 1hxm h LYS 172 Cb 0.00 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.30 1hxm h LYS 172 CO 0.00 1.12 0.96 -1.12 -0.57 0.00 0.00 179.45 179.84 1hxm s SER 173 N -6.73 6.48 -0.70 0.86 0.01 -1.26 -4.97 113.70 107.39 1hxm s SER 173 Ca -0.14 -1.59 -0.19 0.00 1.31 0.00 0.00 55.95 55.34 1hxm s SER 173 Cb 0.01 -2.46 0.12 0.00 0.21 0.00 0.00 66.02 63.91 1hxm s SER 173 CO 0.80 -1.30 0.82 0.54 0.41 0.00 0.00 173.24 174.52 1hxm s ASN 174 N 3.99 6.34 -0.00 2.44 4.22 -1.25 -3.43 114.94 127.25 1hxm s ASN 174 Ca 0.34 -1.67 0.02 0.00 -2.14 0.00 0.00 52.86 49.41 1hxm s ASN 174 Cb -0.06 -2.32 -0.01 0.00 1.28 0.00 0.00 41.25 40.14 1hxm s ASN 174 CO -0.04 -1.07 -0.08 0.42 -2.04 0.00 0.00 177.10 174.29 1hxm s THR 175 N 2.51 0.60 0.40 0.54 -4.23 -1.26 -4.93 115.64 109.27 1hxm s THR 175 Ca 0.18 -0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 60.06 1hxm s THR 175 Cb -0.18 -0.51 -0.10 0.00 1.34 0.00 0.00 72.50 73.05 1hxm s THR 175 CO 0.02 0.15 1.46 -0.38 -0.54 0.00 0.00 174.62 175.32 1hxm n ILE 176 N 2.83 2.26 0.00 2.99 5.41 -1.26 -4.43 119.36 127.16 1hxm n ILE 176 Ca -0.14 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1hxm n ILE 176 Cb 0.57 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 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 0.26 0.00 -2.89 1.39 4.32 -1.22 -5.03 117.00 113.83 1hxm n LEU 177 Ca 0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.91 1hxm n LEU 177 Cb 0.40 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1hxm n LEU 177 CO 0.62 0.00 0.04 0.61 -1.22 0.00 0.00 177.39 177.44 1hxm n GLY 178 N 5.00 0.35 4.04 -0.72 0.00 -1.26 -5.04 105.19 107.56 1hxm n GLY 178 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1hxm n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hxm s SER 179 N -0.24 5.01 0.08 1.61 1.04 -1.26 -4.93 113.70 115.01 1hxm s SER 179 Ca 0.32 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1hxm s SER 179 Cb 0.09 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1hxm s SER 179 CO -0.14 -1.42 -0.09 -1.10 0.98 0.00 0.00 173.24 171.47 1hxm s GLN 180 N -4.70 0.75 0.07 4.02 -0.21 -1.04 -5.04 119.66 113.51 1hxm s GLN 180 Ca 0.62 -1.06 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 1hxm s GLN 180 Cb -0.05 -0.44 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 1hxm s GLN 180 CO 0.39 0.07 0.09 -1.83 -2.12 0.00 0.00 175.29 171.89 1hxm s GLU 181 N -2.53 0.75 0.62 2.91 -1.05 -1.26 -1.14 118.70 117.00 1hxm s GLU 181 Ca 0.02 -1.09 0.02 0.00 -0.15 0.00 0.00 54.97 53.77 1hxm s GLU 181 Cb -0.04 0.28 0.08 0.00 -0.44 0.00 0.00 34.13 34.01 1hxm s GLU 181 CO -0.00 -0.20 0.86 0.20 0.95 0.00 0.00 175.26 177.06 1hxm s GLY 182 N -2.89 1.79 0.60 -3.83 0.00 -0.99 -5.03 107.32 96.98 1hxm s GLY 182 Ca 0.06 -1.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.00 1hxm s GLY 182 CO -0.10 -1.19 1.14 -1.31 0.00 0.00 0.00 173.10 171.64 1hxm s ASN 183 N -4.58 5.33 0.14 1.64 0.01 -1.26 -4.64 114.94 111.58 1hxm s ASN 183 Ca 0.61 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.62 1hxm s ASN 183 Cb -0.08 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.94 1hxm s ASN 183 CO 0.41 -1.48 1.23 -0.89 -1.51 0.00 0.00 177.10 174.85 1hxm s THR 184 N -1.95 3.66 -0.06 1.60 2.01 -1.26 -4.76 115.64 114.87 1hxm s THR 184 Ca 0.72 1.29 0.02 0.00 0.31 0.00 0.00 61.69 64.03 1hxm s THR 184 Cb -0.24 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1hxm s THR 184 CO 0.34 0.16 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.00 1hxm s MET 185 N 0.37 2.62 0.29 4.92 1.75 0.04 -4.94 119.30 124.34 1hxm s MET 185 Ca 0.57 -0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 54.17 1hxm s MET 185 Cb -0.32 -2.47 -0.09 0.00 2.84 0.00 0.00 34.83 34.78 1hxm s MET 185 CO 0.33 0.63 0.80 0.21 -0.65 0.00 0.00 175.02 176.35 1hxm s LYS 186 N -0.74 4.28 -0.43 4.11 2.20 -1.26 -0.20 119.74 127.69 1hxm s LYS 186 Ca 0.11 0.96 0.06 0.00 -0.36 0.00 0.00 55.97 56.75 1hxm s LYS 186 Cb -0.11 -2.70 0.20 0.00 -1.51 0.00 0.00 37.83 33.71 1hxm s LYS 186 CO 0.01 0.28 0.51 0.25 -0.36 0.00 0.00 175.35 176.04 1hxm n THR 187 N 0.33 -0.74 -2.82 3.43 -2.24 0.45 -4.89 114.28 107.79 1hxm n THR 187 Ca 0.01 -2.99 -0.06 0.00 -2.27 0.00 0.00 64.05 58.74 1hxm n THR 187 Cb 0.52 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 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 2.32 -7.96 -4.48 3.42 3.02 -1.26 -3.67 115.26 106.64 1hxm n ASN 188 Ca 0.23 0.80 -0.40 0.00 -0.03 0.00 0.00 54.58 55.19 1hxm n ASN 188 Cb 0.52 -5.33 -0.08 0.00 -0.61 0.00 0.00 39.78 34.28 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 0.01 -1.11 -3.53 6.41 5.68 -1.26 -4.89 116.55 117.86 1hxm n ASP 189 Ca 0.08 -1.25 -0.09 0.00 -0.50 0.00 0.00 54.79 53.02 1hxm n ASP 189 Cb 0.33 -1.63 -0.03 0.00 -1.14 0.00 0.00 41.12 38.65 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 -3.56 0.00 0.33 2.12 -1.32 -1.24 -4.91 115.64 107.06 1hxm s THR 190 Ca 0.61 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.13 1hxm s THR 190 Cb -0.36 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.57 1hxm s THR 190 CO 1.02 0.00 0.04 -0.31 -2.21 0.00 0.00 174.62 173.16 1hxm s TYR 191 N -2.28 2.03 0.14 9.09 2.02 0.35 0.17 117.35 128.87 1hxm s TYR 191 Ca 0.02 -0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1hxm s TYR 191 Cb -0.01 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1hxm s TYR 191 CO -0.04 0.09 0.06 0.00 -1.57 0.00 0.00 175.55 174.09 1hxm s MET 192 N -3.85 0.98 -0.19 -0.62 0.23 0.72 -1.15 119.30 115.43 1hxm s MET 192 Ca 0.36 -1.48 -0.30 0.00 -1.03 0.00 0.00 55.69 53.24 1hxm s MET 192 Cb 0.08 0.20 0.14 0.00 -1.53 0.00 0.00 34.83 33.73 1hxm s MET 192 CO 0.15 -0.27 1.07 0.21 -2.03 0.00 0.00 175.02 174.16 1hxm s LYS 193 N -4.05 0.48 0.04 3.16 2.20 0.68 -0.78 119.74 121.47 1hxm s LYS 193 Ca 0.26 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1hxm s LYS 193 Cb 0.07 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1hxm s LYS 193 CO 0.03 -0.15 -0.08 -0.59 -0.36 0.00 0.00 175.35 174.21 1hxm s PHE 194 N -1.08 0.67 0.00 4.03 -0.12 -1.26 -0.82 117.98 119.40 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 -0.01 -0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 41.97 1hxm s PHE 194 CO -0.00 -0.09 -0.12 0.45 -0.05 0.00 0.00 175.22 175.41 1hxm s SER 195 N -1.62 1.41 0.05 1.98 0.15 -0.71 -2.35 113.70 112.61 1hxm s SER 195 Ca -0.10 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.31 1hxm s SER 195 Cb -0.10 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1hxm s SER 195 CO 0.00 0.11 -0.08 -1.66 1.20 0.00 0.00 173.24 172.81 1hxm s TRP 196 N -0.43 0.73 -0.02 3.44 -2.14 -0.29 -0.95 118.94 119.28 1hxm s TRP 196 Ca 0.03 -0.52 0.01 0.00 2.66 0.00 0.00 56.10 58.28 1hxm s TRP 196 Cb -0.05 -0.43 0.02 0.00 -3.10 0.00 0.00 33.47 29.90 1hxm s TRP 196 CO -0.00 -0.08 -0.01 -1.17 -2.66 0.00 0.00 176.95 173.04 1hxm s LEU 197 N -1.68 1.44 -0.42 -4.66 2.96 -0.11 -2.51 118.68 113.69 1hxm s LEU 197 Ca -0.08 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1hxm s LEU 197 Cb -0.09 -0.18 0.08 0.00 0.50 0.00 0.00 46.19 46.50 1hxm s LEU 197 CO 0.00 -0.06 0.27 -0.89 -1.32 0.00 0.00 176.35 174.35 1hxm s THR 198 N 0.66 4.23 0.05 3.68 2.01 -1.26 0.35 115.64 125.37 1hxm s THR 198 Ca -0.06 -1.42 -0.28 0.00 0.31 0.00 0.00 61.69 60.24 1hxm s THR 198 Cb -0.09 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1hxm s THR 198 CO -0.01 -0.52 0.88 0.68 -0.69 0.00 0.00 174.62 174.95 1hxm s VAL 199 N 1.42 4.69 0.95 3.82 -7.23 0.13 -4.87 120.40 119.32 1hxm s VAL 199 Ca 0.03 1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 61.95 1hxm s VAL 199 Cb -0.23 -4.23 0.16 0.00 0.56 0.00 0.00 36.38 32.64 1hxm s VAL 199 CO 0.02 0.30 1.09 -2.84 -0.31 0.00 0.00 175.10 173.35 1hxm s PRO 200 N 0.24 0.78 0.21 4.82 0.02 -1.26 -1.97 135.00 137.84 1hxm s PRO 200 Ca 0.44 0.89 -0.10 0.00 0.02 0.00 0.00 61.00 62.25 1hxm s PRO 200 Cb -0.21 -1.75 0.29 0.00 0.02 0.00 0.00 34.50 32.85 1hxm s PRO 200 CO 0.26 -2.59 1.28 -1.91 -0.33 0.00 0.00 177.00 173.72 1hxm n GLU 201 N -4.13 -0.13 0.06 5.54 4.07 -1.18 -2.49 120.64 122.38 1hxm n GLU 201 Ca 0.07 1.28 -0.05 0.00 -0.06 0.00 0.00 57.16 58.39 1hxm n GLU 201 Cb 0.55 -1.90 -0.03 0.00 -0.06 0.00 0.00 31.44 30.00 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 -0.24 0.00 5.31 1.63 -1.91 -3.15 116.57 118.21 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 0.55 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1hxm h LYS 202 CO -0.83 -0.16 0.04 0.43 -3.45 0.00 0.00 179.45 175.47 1hxm n SER 203 N -3.24 0.00 -0.27 4.20 7.64 -1.04 -3.71 113.62 117.20 1hxm n SER 203 Ca -0.03 0.16 0.19 0.00 1.01 0.00 0.00 58.87 60.20 1hxm n SER 203 Cb 0.12 -0.16 0.49 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.45 -0.24 -3.43 4.07 -1.58 -2.05 115.31 112.53 1hxm h LEU 204 Ca 0.00 0.05 -0.20 0.00 0.08 0.00 0.00 57.88 57.81 1hxm h LEU 204 Cb 0.07 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1hxm h LEU 204 CO 0.00 0.16 -0.91 -2.24 -1.08 0.00 0.00 178.44 174.38 1hxm h ASP 205 N 0.44 0.20 -3.20 -0.43 3.04 -1.77 -3.12 116.42 111.58 1hxm h ASP 205 Ca 0.50 -0.17 -0.41 0.00 -3.24 0.00 0.00 57.03 53.71 1hxm h ASP 205 Cb 1.20 -0.06 0.21 0.00 -1.04 0.00 0.00 39.33 39.64 1hxm h ASP 205 CO -0.21 1.00 -0.03 -0.54 -2.04 0.00 0.00 179.24 177.42 1hxm s LYS 206 N -3.11 -1.90 0.19 4.15 1.02 -0.77 -4.49 119.74 114.83 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 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1hxm s LYS 206 CO 0.83 -4.25 0.07 -2.00 -0.92 0.00 0.00 175.35 169.07 1hxm s GLU 207 N -4.89 2.63 0.10 1.68 2.12 -1.26 -4.04 118.70 115.04 1hxm s GLU 207 Ca 0.69 -1.04 0.02 0.00 0.36 0.00 0.00 54.97 55.00 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 0.45 -0.07 -1.01 -0.54 0.00 0.00 175.26 174.69 1hxm s HIS 208 N -1.83 0.93 -0.02 5.30 3.76 -1.02 -0.76 115.29 121.65 1hxm s HIS 208 Ca 0.30 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1hxm s HIS 208 Cb -0.09 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1hxm s HIS 208 CO 0.21 -0.10 -0.08 1.03 -0.85 0.00 0.00 174.74 174.95 1hxm s ARG 209 N -3.51 0.84 -0.41 1.40 0.52 0.19 -0.76 118.95 117.21 1hxm s ARG 209 Ca 0.10 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 1hxm s ARG 209 Cb 0.03 -0.80 0.04 0.00 0.52 0.00 0.00 34.95 34.74 1hxm s ARG 209 CO -0.03 0.11 0.29 0.00 0.02 0.00 0.00 175.30 175.70 1hxm s ILE 211 N 1.62 5.00 -0.19 0.00 1.01 -0.61 0.20 121.20 128.23 1hxm s ILE 211 Ca 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 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 0.27 -0.01 -0.69 0.00 0.00 0.00 174.94 174.58 1hxm s VAL 212 N 1.71 3.88 -0.29 2.92 1.01 0.88 -2.60 120.40 127.91 1hxm s VAL 212 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1hxm s VAL 212 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1hxm s VAL 212 CO 0.09 0.44 0.09 -0.60 0.00 0.00 0.00 175.10 175.12 1hxm s ARG 213 N 0.88 3.21 -0.05 2.72 6.06 -0.22 0.00 118.95 131.56 1hxm s ARG 213 Ca 0.00 -0.78 -0.10 0.00 -2.50 0.00 0.00 55.73 52.36 1hxm s ARG 213 Cb -0.14 -3.39 0.02 0.00 0.06 0.00 0.00 34.95 31.49 1hxm s ARG 213 CO 0.02 -0.40 0.24 -1.58 -2.50 0.00 0.00 175.30 171.08 1hxm s HIS 214 N 1.53 -0.17 0.55 5.12 2.46 -1.26 -2.31 115.29 121.22 1hxm s HIS 214 Ca 0.04 0.35 0.26 0.00 0.47 0.00 0.00 55.06 56.17 1hxm s HIS 214 Cb -0.17 0.06 1.47 0.00 -0.13 0.00 0.00 32.58 33.81 1hxm s HIS 214 CO 0.03 -0.25 2.01 1.49 -2.47 0.00 0.00 174.74 175.55 1hxm h GLU 215 N 4.82 0.00 -0.19 2.88 4.81 -1.86 -2.86 114.58 122.18 1hxm h GLU 215 Ca -0.28 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1hxm h GLU 215 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1hxm h GLU 215 CO 0.38 0.00 -0.03 0.09 -0.73 0.00 0.00 179.01 178.71 1hxm n ASN 216 N -4.14 3.13 -4.64 1.04 3.02 -1.26 -4.87 115.26 107.54 1hxm n ASN 216 Ca 0.07 -3.20 -0.32 0.00 -0.03 0.00 0.00 54.58 51.10 1hxm n ASN 216 Cb 0.53 -0.53 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.90 0.25 -4.75 6.41 3.02 -1.08 -3.80 115.26 114.41 1hxm n ASN 217 Ca 0.22 0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 54.83 1hxm n ASN 217 Cb 0.84 -1.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.54 1hxm n ASN 217 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hxm s LYS 218 N -4.27 4.15 0.00 3.52 -0.14 -1.26 -1.92 119.74 119.82 1hxm s LYS 218 Ca 0.68 2.53 0.00 0.00 -1.36 0.00 0.00 55.97 57.82 1hxm s LYS 218 Cb -0.25 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1hxm s LYS 218 CO 0.56 -0.57 0.00 0.09 -0.76 0.00 0.00 175.35 174.67 1hxm n ASN 219 N 1.89 0.00 -0.48 2.83 3.02 -1.26 -3.53 115.26 117.74 1hxm n ASN 219 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.56 1hxm n ASN 219 Cb 0.38 -0.92 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 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 0.79 3.42 7.41 0.00 -0.81 -5.03 105.19 108.97 1hxm n GLY 220 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.23 2.21 0.41 1.61 -7.23 -1.23 -4.97 120.40 108.97 1hxm s VAL 221 Ca 0.00 -2.34 -0.24 0.00 -1.81 0.00 0.00 61.98 57.59 1hxm s VAL 221 Cb 0.00 -2.20 -0.11 0.00 0.56 0.00 0.00 36.38 34.62 1hxm s VAL 221 CO 0.00 -0.47 0.90 0.47 -0.31 0.00 0.00 175.10 175.69 1hxm n ASP 222 N -0.53 0.75 -4.67 4.85 9.92 -1.26 -4.65 116.55 120.97 1hxm n ASP 222 Ca -0.06 1.01 -0.38 0.00 -0.53 0.00 0.00 54.79 54.83 1hxm n ASP 222 Cb 0.60 -1.29 -0.08 0.00 -0.64 0.00 0.00 41.12 39.71 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 -1.89 4.16 -0.41 -1.24 0.74 0.10 -4.93 119.66 116.19 1hxm s GLN 223 Ca 0.63 0.19 -0.09 0.00 0.05 0.00 0.00 55.36 56.14 1hxm s GLN 223 Cb -0.58 -3.55 0.07 0.00 1.10 0.00 0.00 33.01 30.05 1hxm s GLN 223 CO 0.57 -0.06 0.24 -2.00 -0.55 0.00 0.00 175.29 173.49 1hxm s GLU 224 N 1.37 2.64 -0.26 1.67 2.12 -1.26 -0.08 118.70 124.89 1hxm s GLU 224 Ca 0.19 -1.39 -0.17 0.00 0.36 0.00 0.00 54.97 53.96 1hxm s GLU 224 Cb -0.15 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1hxm s GLU 224 CO 0.08 -0.90 0.47 0.42 -0.54 0.00 0.00 175.26 174.80 1hxm s ILE 225 N 1.44 5.10 -0.28 -3.70 1.01 0.13 -4.94 121.20 119.96 1hxm s ILE 225 Ca 0.03 0.79 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 1hxm s ILE 225 Cb -0.22 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1hxm s ILE 225 CO 0.03 0.11 0.71 -0.63 0.00 0.00 0.00 174.94 175.16 1hxm s ILE 226 N 2.23 4.89 -0.34 2.92 1.01 -1.26 -0.02 121.20 130.63 1hxm s ILE 226 Ca 0.19 1.15 -0.10 0.00 0.00 0.00 0.00 60.65 61.89 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 0.09 -0.12 0.17 -0.36 0.00 0.00 0.00 174.94 174.72 1hxm s PHE 227 N 2.74 3.21 1.00 3.97 0.08 0.06 -4.99 117.98 124.04 1hxm s PHE 227 Ca 0.29 -0.74 -0.16 0.00 0.12 0.00 0.00 56.93 56.45 1hxm s PHE 227 Cb -0.15 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1hxm s PHE 227 CO 0.10 -0.54 -0.06 -2.30 -0.10 0.00 0.00 175.22 172.33 1hxm n PRO 228 N 4.99 -0.44 0.00 0.24 -0.02 -1.26 -2.43 135.00 136.07 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 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.58 0.00 -0.42 0.52 -0.04 -1.26 -4.57 135.00 128.65 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