#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxm s ILE 2 N 0.00 5.49 -0.09 0.00 2.07 -1.26 -4.29 121.20 123.11 1hxm s ILE 2 Ca 0.00 0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 59.26 1hxm s ILE 2 Cb 0.00 -3.39 0.04 0.00 0.13 0.00 0.00 42.46 39.24 1hxm s ILE 2 CO 0.00 0.62 0.45 -0.70 -1.91 0.00 0.00 174.94 173.39 1hxm s GLU 3 N -0.99 0.69 -0.11 3.50 2.12 -0.75 -5.00 118.70 118.15 1hxm s GLU 3 Ca 0.15 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.75 1hxm s GLU 3 Cb -0.12 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1hxm s GLU 3 CO 0.04 -0.16 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.99 1hxm s LEU 4 N -0.60 2.90 -0.12 2.70 1.43 -1.26 -0.27 118.68 123.46 1hxm s LEU 4 Ca -0.07 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1hxm s LEU 4 Cb -0.03 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1hxm s LEU 4 CO 0.04 0.24 -0.06 -0.69 0.23 0.00 0.00 176.35 176.10 1hxm s VAL 5 N -0.06 0.95 0.65 -1.59 1.01 0.97 -4.08 120.40 118.27 1hxm s VAL 5 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1hxm s VAL 5 Cb -0.14 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1hxm s VAL 5 CO 0.03 0.32 1.16 -2.16 0.00 0.00 0.00 175.10 174.45 1hxm s PRO 6 N 1.73 2.69 0.06 2.72 0.04 -1.26 -0.97 135.00 140.02 1hxm s PRO 6 Ca 0.04 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1hxm s PRO 6 Cb -0.13 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.32 1hxm s PRO 6 CO -0.08 -1.38 1.57 1.49 0.04 0.00 0.00 177.00 178.64 1hxm h GLU 7 N 0.24 -0.43 -5.52 4.56 4.81 -1.77 -3.45 114.58 113.01 1hxm h GLU 7 Ca -0.48 0.03 -0.44 0.00 -0.13 0.00 0.00 59.36 58.34 1hxm h GLU 7 Cb 1.27 0.10 -0.20 0.00 0.63 0.00 0.00 28.75 30.55 1hxm h GLU 7 CO 0.53 -0.22 -0.78 -1.01 -0.73 0.00 0.00 179.01 176.80 1hxm s HIS 8 N -5.73 1.40 -0.01 0.92 3.76 -1.26 -5.04 115.29 109.32 1hxm s HIS 8 Ca -0.15 -0.49 -0.24 0.00 -0.15 0.00 0.00 55.06 54.02 1hxm s HIS 8 Cb 0.04 -0.76 -0.19 0.00 1.11 0.00 0.00 32.58 32.78 1hxm s HIS 8 CO 0.62 0.12 1.23 1.96 -0.85 0.00 0.00 174.74 177.82 1hxm h GLN 9 N 3.91 0.14 -6.58 1.40 4.20 -1.87 -3.42 115.11 112.88 1hxm h GLN 9 Ca -0.41 -0.09 -0.70 0.00 0.06 0.00 0.00 58.65 57.52 1hxm h GLN 9 Cb 1.19 0.01 -0.27 0.00 0.30 0.00 0.00 27.48 28.71 1hxm h GLN 9 CO 0.45 0.66 -0.86 0.99 -0.67 0.00 0.00 178.83 179.39 1hxm s THR 10 N -4.00 2.31 -0.28 -0.54 2.01 -1.26 0.67 115.64 114.54 1hxm s THR 10 Ca -0.16 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.70 1hxm s THR 10 Cb 0.02 -1.85 0.10 0.00 0.01 0.00 0.00 72.50 70.78 1hxm s THR 10 CO 0.71 0.52 0.12 -0.69 -0.69 0.00 0.00 174.62 174.59 1hxm s VAL 11 N -0.70 0.11 0.38 3.82 1.01 0.20 -4.92 120.40 120.30 1hxm s VAL 11 Ca 0.11 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1hxm s VAL 11 Cb -0.10 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1hxm s VAL 11 CO 0.00 -0.67 1.02 -2.16 0.00 0.00 0.00 175.10 173.29 1hxm s PRO 12 N 2.01 4.30 0.05 2.72 0.04 -1.26 -3.18 135.00 139.67 1hxm s PRO 12 Ca 0.08 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1hxm s PRO 12 Cb -0.16 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1hxm s PRO 12 CO -0.32 -0.01 -0.01 0.14 0.04 0.00 0.00 177.00 176.84 1hxm s VAL 13 N -1.65 0.19 0.00 -0.36 -7.23 -0.20 -4.91 120.40 106.25 1hxm s VAL 13 Ca 0.55 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1hxm s VAL 13 Cb -0.21 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1hxm s VAL 13 CO 0.26 -0.87 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.66 1hxm s SER 14 N -2.60 4.49 0.32 4.85 0.01 -1.26 -1.91 113.70 117.61 1hxm s SER 14 Ca 0.02 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.83 1hxm s SER 14 Cb 0.04 -1.01 -0.13 0.00 0.21 0.00 0.00 66.02 65.13 1hxm s SER 14 CO -0.08 0.28 1.09 -0.38 0.41 0.00 0.00 173.24 174.56 1hxm n ILE 15 N 1.61 2.06 -0.20 1.44 5.41 -0.99 -1.64 119.36 127.05 1hxm n ILE 15 Ca -0.16 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1hxm n ILE 15 Cb 0.52 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 1hxm n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hxm n GLY 16 N 1.09 1.10 3.41 7.39 0.00 -0.80 -4.51 105.19 112.87 1hxm n GLY 16 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1hxm n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hxm s VAL 17 N -2.02 5.16 0.10 1.61 1.01 -0.65 -4.77 120.40 120.84 1hxm s VAL 17 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 61.98 60.73 1hxm s VAL 17 Cb 0.00 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 1hxm s VAL 17 CO 0.00 -0.44 1.13 -2.65 0.00 0.00 0.00 175.10 173.14 1hxm n PRO 18 N 5.16 0.74 -3.99 2.72 -0.02 -1.09 -4.53 135.00 133.99 1hxm n PRO 18 Ca -0.12 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.54 1hxm n PRO 18 Cb 0.45 -1.76 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 1hxm n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hxm s ALA 19 N -0.02 0.17 0.02 3.55 0.00 0.32 -5.00 121.76 120.80 1hxm s ALA 19 Ca 0.80 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1hxm s ALA 19 Cb -1.00 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1hxm s ALA 19 CO 0.52 -0.16 -0.22 0.95 0.00 0.00 0.00 175.76 176.85 1hxm s THR 20 N -1.56 1.78 -0.10 0.00 -4.23 -1.26 0.13 115.64 110.40 1hxm s THR 20 Ca -0.15 -1.12 -0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1hxm s THR 20 Cb -0.09 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1hxm s THR 20 CO -0.01 0.36 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.59 1hxm s LEU 21 N -0.90 3.08 0.25 4.79 1.43 0.13 -4.97 118.68 122.48 1hxm s LEU 21 Ca 0.09 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1hxm s LEU 21 Cb -0.09 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1hxm s LEU 21 CO 0.01 0.28 -0.14 -0.13 0.23 0.00 0.00 176.35 176.59 1hxm s ARG 22 N -0.31 1.50 -0.30 1.70 0.52 -1.26 -0.68 118.95 120.12 1hxm s ARG 22 Ca 0.04 -1.70 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 1hxm s ARG 22 Cb -0.13 -1.36 0.15 0.00 0.52 0.00 0.00 34.95 34.13 1hxm s ARG 22 CO 0.02 0.20 0.63 0.00 0.02 0.00 0.00 175.30 176.18 1hxm s SER 24 N 2.88 6.52 -0.00 0.00 1.04 -0.14 -0.24 113.70 123.75 1hxm s SER 24 Ca 0.02 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 57.04 1hxm s SER 24 Cb -0.13 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1hxm s SER 24 CO -0.19 0.13 0.19 -0.32 0.98 0.00 0.00 173.24 174.02 1hxm s MET 25 N -2.29 3.45 -0.22 4.02 1.75 0.61 -0.02 119.30 126.60 1hxm s MET 25 Ca 0.36 -0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.45 1hxm s MET 25 Cb -0.13 -3.09 0.07 0.00 2.84 0.00 0.00 34.83 34.52 1hxm s MET 25 CO 0.21 0.67 0.08 0.15 -0.65 0.00 0.00 175.02 175.49 1hxm s LYS 26 N -1.96 0.36 0.00 4.11 -0.14 0.63 -4.84 119.74 117.90 1hxm s LYS 26 Ca 0.28 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.48 1hxm s LYS 26 Cb -0.13 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 1hxm s LYS 26 CO 0.19 -0.78 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 1hxm n GLY 27 N 5.15 0.79 3.95 -3.33 0.00 -1.26 -1.81 105.19 108.67 1hxm n GLY 27 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 1hxm n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hxm s GLU 28 N 0.00 0.83 -0.11 1.61 2.12 -1.26 -4.80 118.70 117.09 1hxm s GLU 28 Ca 0.00 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 1hxm s GLU 28 Cb 0.00 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 1hxm s GLU 28 CO 0.00 -0.39 1.19 0.00 -0.54 0.00 0.00 175.26 175.52 1hxm s ALA 29 N -2.06 3.56 -1.55 6.30 0.00 -1.26 -4.89 121.76 121.86 1hxm s ALA 29 Ca 0.26 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1hxm s ALA 29 Cb -0.02 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.66 1hxm s ALA 29 CO 0.02 -0.91 0.81 1.51 0.00 0.00 0.00 175.76 177.19 1hxm n ILE 30 N 4.93 0.84 0.14 0.00 3.06 -1.26 -1.66 119.36 125.41 1hxm n ILE 30 Ca 0.12 0.21 0.10 0.00 -2.50 0.00 0.00 62.75 60.68 1hxm n ILE 30 Cb 0.46 -1.18 0.05 0.00 0.54 0.00 0.00 39.64 39.51 1hxm n ILE 30 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1hxm h GLY 31 N 0.31 0.00 0.03 4.50 0.00 -1.97 -3.27 103.07 102.67 1hxm h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hxm h GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1hxm n ASN 32 N -2.87 0.78 -4.26 0.19 3.02 -0.66 -4.83 115.26 106.63 1hxm n ASN 32 Ca 0.01 -1.46 -0.20 0.00 -0.03 0.00 0.00 54.58 52.90 1hxm n ASN 32 Cb 0.58 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 1hxm n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1hxm s TYR 33 N -1.93 1.53 -0.21 3.10 2.02 -1.23 -1.82 117.35 118.80 1hxm s TYR 33 Ca 0.34 -0.50 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 1hxm s TYR 33 Cb 0.17 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1hxm s TYR 33 CO 0.28 0.18 0.30 0.71 -1.57 0.00 0.00 175.55 175.45 1hxm s TYR 34 N -1.86 3.37 -0.05 2.71 1.51 0.08 -4.89 117.35 118.22 1hxm s TYR 34 Ca 0.09 0.48 -0.12 0.00 -1.01 0.00 0.00 57.07 56.50 1hxm s TYR 34 Cb -0.06 -2.41 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 1hxm s TYR 34 CO 0.04 0.06 0.31 0.42 -1.11 0.00 0.00 175.55 175.27 1hxm s ILE 35 N 1.09 5.21 0.11 2.71 1.09 -1.26 -1.66 121.20 128.48 1hxm s ILE 35 Ca 0.15 0.61 0.06 0.00 -1.10 0.00 0.00 60.65 60.37 1hxm s ILE 35 Cb -0.14 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 1hxm s ILE 35 CO 0.06 0.58 -0.14 0.20 -0.10 0.00 0.00 174.94 175.54 1hxm s ASN 36 N -0.95 1.95 -0.07 3.58 -0.87 0.24 -0.90 114.94 117.93 1hxm s ASN 36 Ca 0.20 -0.78 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 1hxm s ASN 36 Cb -0.15 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 1hxm s ASN 36 CO 0.10 -0.13 -0.14 0.26 -2.57 0.00 0.00 177.10 174.62 1hxm s TRP 37 N -2.01 1.61 0.25 2.20 0.52 0.44 -0.89 118.94 121.06 1hxm s TRP 37 Ca 0.07 -0.61 0.07 0.00 0.02 0.00 0.00 56.10 55.65 1hxm s TRP 37 Cb -0.06 -1.16 -0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1hxm s TRP 37 CO 0.03 -0.30 -0.09 0.71 0.02 0.00 0.00 176.95 177.32 1hxm s TYR 38 N 0.65 1.83 0.07 -1.98 2.02 0.23 -0.05 117.35 120.12 1hxm s TYR 38 Ca -0.15 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 55.81 1hxm s TYR 38 Cb -0.16 -0.97 -0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1hxm s TYR 38 CO 0.04 0.29 0.17 -0.98 -1.57 0.00 0.00 175.55 173.50 1hxm s ARG 39 N -3.70 0.76 -0.19 -0.62 1.70 -0.62 0.22 118.95 116.50 1hxm s ARG 39 Ca 0.27 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1hxm s ARG 39 Cb 0.02 0.31 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1hxm s ARG 39 CO 0.10 -0.23 -0.09 0.15 -1.08 0.00 0.00 175.30 174.15 1hxm s LYS 40 N -3.37 1.84 0.32 3.89 1.02 0.91 -0.92 119.74 123.42 1hxm s LYS 40 Ca 0.01 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.31 1hxm s LYS 40 Cb 0.03 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 1hxm s LYS 40 CO -0.08 -0.44 -0.05 0.95 -0.92 0.00 0.00 175.35 174.80 1hxm s THR 41 N 1.46 1.85 0.30 2.17 -4.23 -0.73 -0.41 115.64 116.06 1hxm s THR 41 Ca -0.01 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 1hxm s THR 41 Cb -0.16 -2.61 -0.11 0.00 1.34 0.00 0.00 72.50 70.96 1hxm s THR 41 CO -0.08 -0.21 1.55 0.00 -0.54 0.00 0.00 174.62 175.34 1hxm s GLN 42 N -3.70 4.15 0.00 3.99 -2.07 -1.26 -3.18 119.66 117.59 1hxm s GLN 42 Ca 0.32 2.53 0.00 0.00 -1.82 0.00 0.00 55.36 56.38 1hxm s GLN 42 Cb 0.04 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 28.93 1hxm s GLN 42 CO 0.14 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.95 1hxm n GLY 43 N 1.92 2.08 3.64 2.60 0.00 -1.26 -4.92 105.19 109.25 1hxm n GLY 43 Ca 0.07 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1hxm n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hxm s ASN 44 N -3.33 6.73 -0.08 1.61 0.01 -1.19 -5.05 114.94 113.63 1hxm s ASN 44 Ca 0.00 0.90 -0.01 0.00 -0.71 0.00 0.00 52.86 53.04 1hxm s ASN 44 Cb 0.00 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1hxm s ASN 44 CO 0.00 -0.42 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.27 1hxm s THR 45 N 2.53 4.18 -0.70 1.60 2.01 -1.26 -1.77 115.64 122.23 1hxm s THR 45 Ca 0.31 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 1hxm s THR 45 Cb -0.16 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.62 1hxm s THR 45 CO 0.09 0.60 0.63 0.80 -0.69 0.00 0.00 174.62 176.04 1hxm n MET 46 N 2.20 -1.67 -4.05 4.92 0.00 -1.03 -4.97 117.12 112.52 1hxm n MET 46 Ca -0.18 1.04 -0.32 0.00 -0.00 0.00 0.00 57.70 58.23 1hxm n MET 46 Cb 0.53 -2.53 -0.06 0.00 0.00 0.00 0.00 33.22 31.16 1hxm n MET 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1hxm s THR 47 N -2.54 4.79 0.05 1.12 -4.23 -0.10 -4.88 115.64 109.84 1hxm s THR 47 Ca 0.12 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 1hxm s THR 47 Cb -0.01 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1hxm s THR 47 CO 0.88 0.25 1.02 0.12 -0.54 0.00 0.00 174.62 176.35 1hxm s PHE 48 N -1.30 3.65 -0.06 3.99 5.36 -1.26 -1.59 117.98 126.77 1hxm s PHE 48 Ca 0.27 1.64 -0.07 0.00 -0.96 0.00 0.00 56.93 57.81 1hxm s PHE 48 Cb -0.12 -3.17 -0.04 0.00 -0.34 0.00 0.00 43.02 39.35 1hxm s PHE 48 CO 0.18 -0.23 -0.15 -0.89 -1.46 0.00 0.00 175.22 172.67 1hxm n ILE 49 N 3.56 1.12 -3.88 3.12 5.41 0.93 -4.25 119.36 125.36 1hxm n ILE 49 Ca 0.05 0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.83 1hxm n ILE 49 Cb 0.49 -1.83 -0.10 0.00 -0.71 0.00 0.00 39.64 37.49 1hxm n ILE 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1hxm s TYR 50 N -2.34 0.05 0.01 1.39 5.04 -0.96 -2.20 117.35 118.35 1hxm s TYR 50 Ca -0.14 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1hxm s TYR 50 Cb 0.03 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.27 1hxm s TYR 50 CO 0.20 -0.24 -0.08 0.50 -1.34 0.00 0.00 175.55 174.59 1hxm s ARG 51 N -1.21 0.57 -0.40 4.97 3.52 -0.41 -0.42 118.95 125.57 1hxm s ARG 51 Ca -0.13 -0.43 -0.37 0.00 -0.13 0.00 0.00 55.73 54.68 1hxm s ARG 51 Cb -0.07 -0.50 -0.16 0.00 -1.56 0.00 0.00 34.95 32.66 1hxm s ARG 51 CO 0.01 0.13 1.44 -1.91 -0.81 0.00 0.00 175.30 174.16 1hxm n GLU 52 N 2.43 0.00 -1.24 5.12 4.07 -0.07 -2.80 120.64 128.14 1hxm n GLU 52 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1hxm n GLU 52 Cb 0.57 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 1hxm n GLU 52 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1hxm n LYS 53 N 4.27 0.00 -1.81 5.31 4.76 -1.26 -4.63 118.16 124.81 1hxm n LYS 53 Ca 0.32 0.41 -0.01 0.00 -2.87 0.00 0.00 58.31 56.17 1hxm n LYS 53 Cb -0.04 -0.83 -0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1hxm n LYS 53 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1hxm n ASP 54 N 0.00 -0.76 -4.59 4.39 8.00 -1.26 -4.91 116.55 117.42 1hxm n ASP 54 Ca 0.00 0.26 -0.39 0.00 0.71 0.00 0.00 54.79 55.37 1hxm n ASP 54 Cb 0.00 -0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 1hxm n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hxm s ILE 55 N -1.59 5.22 0.12 0.53 1.01 -1.12 -5.02 121.20 120.35 1hxm s ILE 55 Ca 0.00 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.07 1hxm s ILE 55 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1hxm s ILE 55 CO 0.00 0.14 -0.19 -0.31 0.00 0.00 0.00 174.94 174.58 1hxm s TYR 56 N 1.96 1.75 0.63 3.97 2.02 -1.26 -1.29 117.35 125.12 1hxm s TYR 56 Ca 0.12 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1hxm s TYR 56 Cb -0.16 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1hxm s TYR 56 CO 0.11 0.24 0.96 0.20 -1.57 0.00 0.00 175.55 175.49 1hxm s GLY 57 N -2.21 1.61 -0.27 0.71 0.00 -0.93 -4.93 107.32 101.29 1hxm s GLY 57 Ca 0.10 -0.58 -0.36 0.00 0.00 0.00 0.00 44.72 43.87 1hxm s GLY 57 CO 0.05 -0.28 2.02 -1.05 0.00 0.00 0.00 173.10 173.84 1hxm n PRO 58 N -2.71 1.35 -0.75 2.90 -0.02 -1.26 -1.37 135.00 133.13 1hxm n PRO 58 Ca 0.05 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1hxm n PRO 58 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1hxm n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxm n GLY 59 N 5.53 0.58 0.00 -1.23 0.00 -1.26 -4.93 105.19 103.88 1hxm n GLY 59 Ca 0.34 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1hxm n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hxm n PHE 60 N -2.75 0.00 -0.22 1.61 3.01 -0.47 -4.55 117.46 114.08 1hxm n PHE 60 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1hxm n PHE 60 Cb 0.00 -0.19 0.03 0.00 -0.01 0.00 0.00 39.48 39.31 1hxm n PHE 60 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1hxm h LYS 61 N 0.00 0.95 0.08 -1.08 1.63 -1.80 0.76 116.57 117.11 1hxm h LYS 61 Ca 0.00 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1hxm h LYS 61 Cb 0.49 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1hxm h LYS 61 CO 0.00 0.83 -0.04 -0.44 -3.45 0.00 0.00 179.45 176.35 1hxm h ASP 62 N 0.87 -0.10 0.43 4.20 3.32 -1.95 -3.35 116.42 119.85 1hxm h ASP 62 Ca 0.20 -0.12 -0.31 0.00 0.02 0.00 0.00 57.03 56.83 1hxm h ASP 62 Cb 0.27 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1hxm h ASP 62 CO -0.01 0.06 -1.73 -1.13 -1.72 0.00 0.00 179.24 174.71 1hxm h ASN 63 N -0.25 0.12 -2.00 6.45 -0.73 -1.80 -3.48 115.58 113.89 1hxm h ASN 63 Ca -0.01 -0.25 -0.50 0.00 1.87 0.00 0.00 56.30 57.41 1hxm h ASN 63 Cb 0.21 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 1hxm h ASN 63 CO 0.02 1.22 -0.49 -0.36 -0.37 0.00 0.00 177.43 177.45 1hxm s PHE 64 N -2.60 2.98 -0.25 0.67 0.08 0.26 -1.54 117.98 117.58 1hxm s PHE 64 Ca -0.09 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1hxm s PHE 64 Cb 0.08 -1.61 0.14 0.00 -0.57 0.00 0.00 43.02 41.05 1hxm s PHE 64 CO 0.81 0.34 0.38 -1.14 -0.10 0.00 0.00 175.22 175.52 1hxm s GLN 65 N -3.92 0.36 0.44 0.44 0.74 -0.59 -4.56 119.66 112.57 1hxm s GLN 65 Ca 0.37 0.45 -0.08 0.00 0.05 0.00 0.00 55.36 56.15 1hxm s GLN 65 Cb -0.07 -0.45 -0.05 0.00 1.10 0.00 0.00 33.01 33.55 1hxm s GLN 65 CO 0.26 -0.72 0.77 0.20 -0.55 0.00 0.00 175.29 175.24 1hxm s GLY 66 N 2.54 1.72 -0.05 2.59 0.00 -1.26 -1.33 107.32 111.54 1hxm s GLY 66 Ca 0.12 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.17 1hxm s GLY 66 CO -0.19 -0.19 1.06 -0.35 0.00 0.00 0.00 173.10 173.43 1hxm s ASP 67 N -3.62 -0.22 -0.03 1.64 -1.08 -0.59 -4.95 116.67 107.81 1hxm s ASP 67 Ca 0.49 -0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.49 1hxm s ASP 67 Cb -0.10 0.29 -0.01 0.00 -1.46 0.00 0.00 42.92 41.64 1hxm s ASP 67 CO 0.38 -0.49 -0.17 0.27 0.52 0.00 0.00 175.17 175.68 1hxm s ILE 68 N -2.82 1.43 -0.96 4.11 -4.36 -1.26 -0.93 121.20 116.41 1hxm s ILE 68 Ca 0.09 -0.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.71 1hxm s ILE 68 Cb -0.00 -1.21 0.25 0.00 1.25 0.00 0.00 42.46 42.74 1hxm s ILE 68 CO -0.05 0.41 0.93 -0.67 0.24 0.00 0.00 174.94 175.80 1hxm n ASP 69 N 2.98 4.72 0.13 4.36 -0.08 -0.54 -4.91 116.55 123.19 1hxm n ASP 69 Ca -0.17 -3.16 0.19 0.00 -1.51 0.00 0.00 54.79 50.14 1hxm n ASP 69 Cb 0.53 -1.13 0.67 0.00 2.34 0.00 0.00 41.12 43.53 1hxm n ASP 69 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1hxm h ILE 70 N 3.83 0.20 -0.89 5.18 2.04 -1.98 -1.82 117.51 124.07 1hxm h ILE 70 Ca 0.17 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.26 1hxm h ILE 70 Cb 0.80 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 37.26 1hxm h ILE 70 CO 0.94 0.00 0.34 0.00 0.00 0.00 0.00 178.15 179.43 1hxm h ALA 71 N 1.22 1.39 -1.71 1.87 0.00 -1.94 -3.24 119.26 116.84 1hxm h ALA 71 Ca 0.17 0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.76 1hxm h ALA 71 Cb 1.30 0.22 -0.35 0.00 0.00 0.00 0.00 17.79 18.96 1hxm h ALA 71 CO -0.00 -0.41 -1.02 1.17 0.00 0.00 0.00 179.25 178.99 1hxm n LYS 72 N -5.12 0.73 -2.98 0.00 3.00 -0.69 -5.00 118.16 108.10 1hxm n LYS 72 Ca 0.22 -3.01 -0.06 0.00 -0.00 0.00 0.00 58.31 55.47 1hxm n LYS 72 Cb 0.68 -1.26 -0.01 0.00 0.00 0.00 0.00 35.03 34.44 1hxm n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hxm n ASN 73 N 1.41 0.01 -4.50 3.14 3.02 -1.22 -4.77 115.26 112.34 1hxm n ASN 73 Ca 0.19 -0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.21 1hxm n ASN 73 Cb 0.55 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.33 1hxm n ASN 73 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1hxm s LEU 74 N -4.03 2.80 -0.12 3.41 2.96 -1.20 -0.28 118.68 122.22 1hxm s LEU 74 Ca 0.01 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1hxm s LEU 74 Cb -0.01 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1hxm s LEU 74 CO 0.17 0.28 -0.15 0.00 -1.32 0.00 0.00 176.35 175.33 1hxm s ALA 75 N -0.90 2.54 0.10 5.97 0.00 0.66 -1.47 121.76 128.67 1hxm s ALA 75 Ca 0.15 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.28 1hxm s ALA 75 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1hxm s ALA 75 CO 0.05 0.28 -0.22 0.14 0.00 0.00 0.00 175.76 176.01 1hxm s VAL 76 N 0.27 1.78 -0.11 0.00 -7.23 -0.11 -0.92 120.40 114.09 1hxm s VAL 76 Ca -0.11 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1hxm s VAL 76 Cb -0.16 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.22 1hxm s VAL 76 CO 0.06 -0.04 0.09 -0.22 -0.31 0.00 0.00 175.10 174.68 1hxm s LEU 77 N -1.91 0.19 -0.18 1.32 2.96 0.14 -1.55 118.68 119.65 1hxm s LEU 77 Ca 0.07 -0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1hxm s LEU 77 Cb -0.10 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.43 1hxm s LEU 77 CO 0.04 -0.29 0.11 -0.75 -1.32 0.00 0.00 176.35 174.14 1hxm s LYS 78 N 2.18 3.97 -0.30 1.98 2.20 -0.44 0.19 119.74 129.51 1hxm s LYS 78 Ca 0.04 -0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.30 1hxm s LYS 78 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1hxm s LYS 78 CO -0.06 0.40 0.21 0.42 -0.36 0.00 0.00 175.35 175.95 1hxm s ILE 79 N 0.07 5.27 -0.10 5.43 1.01 0.34 -1.54 121.20 131.67 1hxm s ILE 79 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1hxm s ILE 79 Cb -0.11 -3.59 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 1hxm s ILE 79 CO -0.00 0.15 0.53 -0.07 0.00 0.00 0.00 174.94 175.55 1hxm h LEU 80 N 8.41 -0.05 -6.91 2.97 3.38 -1.52 0.94 115.31 122.53 1hxm h LEU 80 Ca -0.34 -0.50 -0.61 0.00 0.09 0.00 0.00 57.88 56.52 1hxm h LEU 80 Cb 1.18 0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.53 1hxm h LEU 80 CO 0.58 0.67 -0.69 0.00 0.09 0.00 0.00 178.44 179.09 1hxm s ALA 81 N -2.71 3.04 0.58 1.53 0.00 -1.26 -2.69 121.76 120.25 1hxm s ALA 81 Ca -0.11 -3.35 -0.19 0.00 0.00 0.00 0.00 51.96 48.31 1hxm s ALA 81 Cb -0.01 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 1hxm s ALA 81 CO 0.40 -2.06 0.86 -2.30 0.00 0.00 0.00 175.76 172.67 1hxm n PRO 82 N 2.39 0.84 -3.42 0.00 -0.02 -1.26 -4.64 135.00 128.89 1hxm n PRO 82 Ca 0.21 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1hxm n PRO 82 Cb 0.38 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1hxm n PRO 82 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hxm n SER 83 N -0.38 -1.05 -0.03 2.55 3.41 -1.26 -1.91 113.62 114.96 1hxm n SER 83 Ca 0.13 -2.45 -0.09 0.00 -0.26 0.00 0.00 58.87 56.19 1hxm n SER 83 Cb 0.47 1.95 -0.03 0.00 -0.26 0.00 0.00 64.21 66.34 1hxm n SER 83 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1hxm h GLU 84 N 0.00 0.10 0.00 4.33 3.07 -1.95 -1.96 114.58 118.17 1hxm h GLU 84 Ca -0.21 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1hxm h GLU 84 Cb 0.91 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1hxm h GLU 84 CO 0.28 0.07 0.20 0.00 -1.40 0.00 0.00 179.01 178.16 1hxm h ARG 85 N 0.10 0.00 -0.01 2.33 3.08 -2.00 -1.48 114.38 116.41 1hxm h ARG 85 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1hxm h ARG 85 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1hxm h ARG 85 CO -0.09 0.00 -0.09 -0.25 -1.07 0.00 0.00 179.97 178.46 1hxm n ASP 86 N -2.38 1.38 -4.71 7.04 8.00 -0.74 -4.88 116.55 120.26 1hxm n ASP 86 Ca -0.01 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 1hxm n ASP 86 Cb 0.24 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1hxm n ASP 86 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1hxm s GLU 87 N -2.18 4.54 0.00 -1.24 2.12 -0.56 -4.89 118.70 116.49 1hxm s GLU 87 Ca 0.33 1.48 0.00 0.00 0.36 0.00 0.00 54.97 57.13 1hxm s GLU 87 Cb 0.20 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1hxm s GLU 87 CO 0.40 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1hxm n GLY 88 N 2.94 -0.53 3.82 -1.50 0.00 -0.86 -4.28 105.19 104.78 1hxm n GLY 88 Ca 0.06 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1hxm n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxm s SER 89 N -4.00 5.92 -0.10 1.61 0.01 0.46 -0.29 113.70 117.31 1hxm s SER 89 Ca 0.00 0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.53 1hxm s SER 89 Cb 0.00 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1hxm s SER 89 CO 0.00 0.29 -0.23 -0.31 0.41 0.00 0.00 173.24 173.40 1hxm s TYR 90 N -1.19 2.48 -0.03 2.43 2.02 0.03 -0.06 117.35 123.03 1hxm s TYR 90 Ca 0.22 -1.04 0.07 0.00 -0.37 0.00 0.00 57.07 55.95 1hxm s TYR 90 Cb -0.12 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1hxm s TYR 90 CO 0.13 -0.43 -0.23 0.71 -1.57 0.00 0.00 175.55 174.16 1hxm s TYR 91 N 0.42 2.43 -0.15 2.71 2.02 0.13 -1.69 117.35 123.23 1hxm s TYR 91 Ca -0.17 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 1hxm s TYR 91 Cb -0.18 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1hxm s TYR 91 CO 0.07 0.02 -0.03 0.00 -1.57 0.00 0.00 175.55 174.04 1hxm s ALA 93 N 0.26 0.72 0.13 0.00 0.00 -0.07 -1.60 121.76 121.21 1hxm s ALA 93 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1hxm s ALA 93 Cb -0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1hxm s ALA 93 CO 0.03 0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.68 1hxm s ASP 95 N -2.53 0.12 0.44 0.00 -4.77 -0.67 -1.50 116.67 107.76 1hxm s ASP 95 Ca 0.11 -0.27 -0.22 0.00 -3.30 0.00 0.00 52.55 48.86 1hxm s ASP 95 Cb -0.05 0.11 -0.12 0.00 -1.09 0.00 0.00 42.92 41.77 1hxm s ASP 95 CO 0.04 -0.22 0.61 0.35 0.70 0.00 0.00 175.17 176.64 1hxm n THR 96 N 2.04 1.94 0.44 2.11 -2.24 -1.26 -0.74 114.28 116.57 1hxm n THR 96 Ca -0.20 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.15 1hxm n THR 96 Cb 0.57 -0.64 0.30 0.00 -2.10 0.00 0.00 70.33 68.45 1hxm n THR 96 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1hxm n LEU 97 N 1.06 0.07 0.00 3.22 0.00 -0.76 -4.60 117.00 115.99 1hxm n LEU 97 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 56.01 56.64 1hxm n LEU 97 Cb 0.41 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 43.32 1hxm n LEU 97 CO 0.54 -0.31 0.00 0.61 0.00 0.00 0.00 177.39 178.23 1hxm n GLY 98 N -0.15 0.93 3.65 -3.96 0.00 -1.26 -5.04 105.19 99.36 1hxm n GLY 98 Ca 0.03 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.96 1hxm n GLY 98 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hxm s MET 99 N -1.05 0.09 0.00 1.61 1.75 -1.26 -4.99 119.30 115.45 1hxm s MET 99 Ca 0.00 0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.57 1hxm s MET 99 Cb 0.00 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.70 1hxm s MET 99 CO 0.00 -0.01 0.62 0.41 -0.65 0.00 0.00 175.02 175.38 1hxm n GLY 100 N 2.41 0.82 0.00 2.11 0.00 -1.26 -4.79 105.19 104.48 1hxm n GLY 100 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1hxm n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxm n GLY 101 N 0.13 6.85 2.71 -0.02 0.00 -1.26 -5.04 105.19 108.56 1hxm n GLY 101 Ca 0.00 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1hxm n GLY 101 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hxm n GLU 102 N 0.00 2.60 -1.97 1.61 0.00 -1.26 -5.00 120.64 116.61 1hxm n GLU 102 Ca 0.00 -2.95 -0.32 0.00 0.00 0.00 0.00 57.16 53.89 1hxm n GLU 102 Cb 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 31.44 29.24 1hxm n GLU 102 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1hxm s TYR 103 N -2.92 3.23 -0.21 -1.84 -0.00 -1.26 -5.04 117.35 109.30 1hxm s TYR 103 Ca 0.55 1.44 -0.12 0.00 -0.00 0.00 0.00 57.07 58.95 1hxm s TYR 103 Cb 0.41 -2.88 -0.05 0.00 -0.00 0.00 0.00 41.96 39.44 1hxm s TYR 103 CO -0.32 -0.91 0.20 0.95 -0.00 0.00 0.00 175.55 175.47 1hxm s THR 104 N -2.76 5.34 -1.30 -3.49 -4.23 -1.26 -4.99 115.64 102.95 1hxm s THR 104 Ca 0.60 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.31 1hxm s THR 104 Cb -0.13 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 1hxm s THR 104 CO 0.43 0.36 2.51 0.47 -0.54 0.00 0.00 174.62 177.86 1hxm n ASP 105 N 4.03 6.46 -4.98 3.99 10.43 -1.26 -4.89 116.55 130.34 1hxm n ASP 105 Ca -0.14 -2.52 -0.20 0.00 2.57 0.00 0.00 54.79 54.50 1hxm n ASP 105 Cb 0.52 -1.38 -0.01 0.00 1.84 0.00 0.00 41.12 42.09 1hxm n ASP 105 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1hxm s LYS 106 N 2.92 3.19 0.10 -1.24 -2.85 -1.26 -5.10 119.74 115.50 1hxm s LYS 106 Ca 0.56 -0.89 0.05 0.00 -1.00 0.00 0.00 55.97 54.69 1hxm s LYS 106 Cb 0.15 -2.81 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 1hxm s LYS 106 CO -0.04 0.11 0.00 -0.51 0.10 0.00 0.00 175.35 175.01 1hxm s LEU 107 N -4.17 3.45 -0.13 2.77 1.43 -1.26 -4.59 118.68 116.18 1hxm s LEU 107 Ca 0.43 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1hxm s LEU 107 Cb -0.09 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1hxm s LEU 107 CO 0.31 0.16 -0.22 -0.63 0.23 0.00 0.00 176.35 176.21 1hxm s ILE 108 N -1.37 2.13 0.29 -0.59 1.01 -0.56 -4.96 121.20 117.15 1hxm s ILE 108 Ca 0.26 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1hxm s ILE 108 Cb -0.11 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1hxm s ILE 108 CO 0.18 0.55 0.36 -0.36 0.00 0.00 0.00 174.94 175.67 1hxm s PHE 109 N 0.65 3.20 0.31 3.97 0.08 -1.26 -1.21 117.98 123.72 1hxm s PHE 109 Ca -0.11 -0.14 0.09 0.00 0.12 0.00 0.00 56.93 56.89 1hxm s PHE 109 Cb -0.16 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1hxm s PHE 109 CO 0.02 0.27 0.05 0.20 -0.10 0.00 0.00 175.22 175.66 1hxm s GLY 110 N -4.02 1.87 0.64 4.36 0.00 -0.62 -4.48 107.32 105.07 1hxm s GLY 110 Ca 0.38 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 1hxm s GLY 110 CO 0.29 -1.78 1.17 0.54 0.00 0.00 0.00 173.10 173.32 1hxm s LYS 111 N -3.75 2.73 0.71 2.90 1.02 -1.26 -4.60 119.74 117.50 1hxm s LYS 111 Ca 0.35 1.68 -0.11 0.00 0.02 0.00 0.00 55.97 57.90 1hxm s LYS 111 Cb -0.03 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1hxm s LYS 111 CO 0.21 -1.36 1.08 0.20 -0.92 0.00 0.00 175.35 174.56 1hxm s GLY 112 N -1.98 1.64 -0.15 -3.33 0.00 -1.26 -4.48 107.32 97.76 1hxm s GLY 112 Ca 0.73 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.27 1hxm s GLY 112 CO 0.38 0.16 -0.16 -1.08 0.00 0.00 0.00 173.10 172.40 1hxm s THR 113 N -3.23 1.71 -0.14 0.90 -1.32 -0.68 -4.81 115.64 108.06 1hxm s THR 113 Ca 0.58 -0.73 -0.23 0.00 -1.21 0.00 0.00 61.69 60.10 1hxm s THR 113 Cb -0.12 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 1hxm s THR 113 CO 0.53 0.48 0.71 -0.60 -2.21 0.00 0.00 174.62 173.53 1hxm s ARG 114 N 1.31 4.31 -0.11 7.08 3.52 0.21 -0.79 118.95 134.48 1hxm s ARG 114 Ca 0.02 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.43 1hxm s ARG 114 Cb -0.13 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1hxm s ARG 114 CO -0.09 -0.16 -0.05 0.14 -0.81 0.00 0.00 175.30 174.33 1hxm s VAL 115 N 1.59 3.79 -0.13 7.11 -7.23 0.61 -0.63 120.40 125.51 1hxm s VAL 115 Ca 0.34 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 1hxm s VAL 115 Cb -0.17 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1hxm s VAL 115 CO 0.13 0.55 -0.17 0.42 -0.31 0.00 0.00 175.10 175.72 1hxm s THR 116 N -0.23 2.60 -0.22 5.32 -4.23 -1.19 -2.03 115.64 115.66 1hxm s THR 116 Ca 0.04 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.63 1hxm s THR 116 Cb -0.13 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 1hxm s THR 116 CO 0.02 0.53 0.14 -0.69 -0.54 0.00 0.00 174.62 174.09 1hxm s VAL 117 N 0.48 5.28 -0.02 2.29 1.01 -1.26 -1.03 120.40 127.14 1hxm s VAL 117 Ca -0.12 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1hxm s VAL 117 Cb -0.16 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1hxm s VAL 117 CO 0.05 0.39 -0.14 -1.61 0.00 0.00 0.00 175.10 173.79 1hxm s GLU 118 N 0.77 1.24 0.87 2.72 0.41 -0.80 -4.97 118.70 118.94 1hxm s GLU 118 Ca 0.07 -0.48 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 1hxm s GLU 118 Cb -0.13 -1.16 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 1hxm s GLU 118 CO 0.02 0.25 -0.19 -2.30 -0.49 0.00 0.00 175.26 172.55 1hxm n PRO 119 N 2.96 -0.02 -3.23 0.39 -0.02 -1.26 -2.34 135.00 131.47 1hxm n PRO 119 Ca -0.16 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.01 1hxm n PRO 119 Cb 0.54 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 1hxm n PRO 119 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1hxm s ARG 120 N -2.38 3.91 -0.29 -0.52 3.52 -1.26 -4.56 118.95 117.37 1hxm s ARG 120 Ca 0.51 0.50 -0.40 0.00 -0.13 0.00 0.00 55.73 56.21 1hxm s ARG 120 Cb -0.26 -2.51 -0.15 0.00 -1.56 0.00 0.00 34.95 30.46 1hxm s ARG 120 CO 0.73 0.21 1.82 0.45 -0.81 0.00 0.00 175.30 177.69 1hxm n SER 121 N -0.34 2.36 -3.50 -2.12 2.88 -1.26 -4.91 113.62 106.73 1hxm n SER 121 Ca 0.02 0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1hxm n SER 121 Cb 0.53 -1.15 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 1hxm n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hxm s GLN 122 N 3.99 1.77 0.59 -1.46 -2.07 -1.26 -5.15 119.66 116.06 1hxm s GLN 122 Ca 1.00 -1.62 -0.17 0.00 -1.82 0.00 0.00 55.36 52.76 1hxm s GLN 122 Cb -1.05 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 31.27 1hxm s GLN 122 CO 0.64 -0.73 1.09 -1.25 -1.32 0.00 0.00 175.29 173.71 1hxm s PRO 123 N -3.36 3.25 1.05 9.60 0.04 -1.26 -4.97 135.00 139.35 1hxm s PRO 123 Ca 0.29 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1hxm s PRO 123 Cb 0.00 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.75 1hxm s PRO 123 CO 0.17 -0.89 1.07 -1.01 0.04 0.00 0.00 177.00 176.38 1hxm s HIS 124 N -2.20 1.63 -0.19 0.56 3.76 -1.26 -4.89 115.29 112.70 1hxm s HIS 124 Ca 0.67 1.32 -0.07 0.00 -0.15 0.00 0.00 55.06 56.82 1hxm s HIS 124 Cb -0.19 -3.17 0.08 0.00 1.11 0.00 0.00 32.58 30.41 1hxm s HIS 124 CO 0.34 -3.32 0.41 0.99 -0.85 0.00 0.00 174.74 172.30 1hxm s THR 125 N -2.62 -0.53 0.22 1.30 2.01 -0.68 -4.89 115.64 110.45 1hxm s THR 125 Ca 0.67 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 1hxm s THR 125 Cb -0.23 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 1hxm s THR 125 CO 0.61 0.07 1.33 -0.75 -0.69 0.00 0.00 174.62 175.19 1hxm s LYS 126 N 2.40 4.37 0.63 4.92 2.20 -1.26 -2.91 119.74 130.09 1hxm s LYS 126 Ca -0.03 2.11 -0.04 0.00 -0.36 0.00 0.00 55.97 57.64 1hxm s LYS 126 Cb -0.11 -3.17 0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1hxm s LYS 126 CO -0.13 -0.27 0.92 -1.25 -0.36 0.00 0.00 175.35 174.27 1hxm s PRO 127 N -0.33 2.46 0.11 4.03 0.04 -1.25 -4.75 135.00 135.32 1hxm s PRO 127 Ca 0.56 -0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.31 1hxm s PRO 127 Cb -0.38 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1hxm s PRO 127 CO 0.40 -0.97 0.12 -1.12 0.04 0.00 0.00 177.00 175.48 1hxm s SER 128 N -4.44 5.61 -0.07 6.66 0.01 -0.64 -4.93 113.70 115.91 1hxm s SER 128 Ca 0.58 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 1hxm s SER 128 Cb -0.11 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.64 1hxm s SER 128 CO 0.43 0.13 -0.00 -0.69 0.41 0.00 0.00 173.24 173.52 1hxm s VAL 129 N -1.55 0.37 0.26 3.43 1.01 -1.26 -0.95 120.40 121.71 1hxm s VAL 129 Ca 0.30 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1hxm s VAL 129 Cb -0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1hxm s VAL 129 CO 0.23 0.25 -0.10 -0.36 0.00 0.00 0.00 175.10 175.12 1hxm s PHE 130 N 1.81 1.94 -0.08 5.22 0.40 -0.70 -4.27 117.98 122.31 1hxm s PHE 130 Ca 0.02 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1hxm s PHE 130 Cb -0.13 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1hxm s PHE 130 CO -0.04 0.37 0.15 0.54 0.70 0.00 0.00 175.22 176.94 1hxm s VAL 131 N -2.92 -0.20 0.05 -0.44 0.11 -1.26 0.89 120.40 116.63 1hxm s VAL 131 Ca 0.28 0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.69 1hxm s VAL 131 Cb 0.01 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1hxm s VAL 131 CO 0.11 0.13 -0.05 0.00 -3.33 0.00 0.00 175.10 171.96 1hxm s MET 132 N 2.01 2.46 0.38 1.54 0.23 -0.84 -4.95 119.30 120.13 1hxm s MET 132 Ca 0.00 -0.82 0.04 0.00 -1.03 0.00 0.00 55.69 53.88 1hxm s MET 132 Cb -0.12 -2.47 -0.03 0.00 -1.53 0.00 0.00 34.83 30.68 1hxm s MET 132 CO -0.06 0.56 0.13 0.15 -2.03 0.00 0.00 175.02 173.78 1hxm s LYS 133 N -1.85 1.83 -0.33 3.16 1.02 -1.26 -1.28 119.74 121.03 1hxm s LYS 133 Ca 0.20 -2.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.03 1hxm s LYS 133 Cb -0.11 -0.50 0.22 0.00 -0.52 0.00 0.00 37.83 36.91 1hxm s LYS 133 CO 0.12 -0.45 1.12 -1.71 -0.92 0.00 0.00 175.35 173.51 1hxm n ASN 134 N -1.17 -1.38 -2.90 2.83 2.85 0.18 -4.99 115.26 110.68 1hxm n ASN 134 Ca -0.04 -0.88 -0.02 0.00 -0.11 0.00 0.00 54.58 53.54 1hxm n ASN 134 Cb 0.65 0.69 -0.01 0.00 1.24 0.00 0.00 39.78 42.35 1hxm n ASN 134 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hxm n GLY 135 N 2.55 -2.39 4.70 8.20 0.00 -1.26 -2.77 105.19 114.23 1hxm n GLY 135 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1hxm n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hxm n THR 136 N 1.60 0.00 -3.09 2.61 -2.24 -1.26 -4.89 114.28 107.00 1hxm n THR 136 Ca -0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1hxm n THR 136 Cb 0.30 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1hxm n THR 136 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1hxm s ASN 137 N -1.34 6.46 -0.04 3.42 -0.87 -1.12 0.79 114.94 122.24 1hxm s ASN 137 Ca 0.00 0.25 0.04 0.00 -1.57 0.00 0.00 52.86 51.58 1hxm s ASN 137 Cb 0.00 -2.34 -0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1hxm s ASN 137 CO 0.00 -0.58 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.12 1hxm s VAL 138 N 2.73 1.20 -0.07 1.60 1.01 -0.66 -0.65 120.40 125.57 1hxm s VAL 138 Ca 0.25 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1hxm s VAL 138 Cb -0.14 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1hxm s VAL 138 CO 0.14 0.35 -0.12 0.00 0.00 0.00 0.00 175.10 175.47 1hxm s ALA 139 N 0.06 1.28 -0.06 5.51 0.00 -0.40 -1.62 121.76 126.53 1hxm s ALA 139 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1hxm s ALA 139 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 1hxm s ALA 139 CO 0.01 0.12 0.39 0.00 0.00 0.00 0.00 175.76 176.29 1hxm s LEU 141 N -0.42 4.36 -0.29 0.00 2.96 0.26 -1.94 118.68 123.61 1hxm s LEU 141 Ca 0.23 -2.39 -0.21 0.00 -0.22 0.00 0.00 54.13 51.53 1hxm s LEU 141 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1hxm s LEU 141 CO 0.11 -0.33 0.68 -0.69 -1.32 0.00 0.00 176.35 174.79 1hxm s VAL 142 N 0.58 4.91 -0.08 1.68 1.01 -0.35 -1.72 120.40 126.43 1hxm s VAL 142 Ca 0.13 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 1hxm s VAL 142 Cb -0.21 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1hxm s VAL 142 CO -0.07 -0.12 -0.05 -0.54 0.00 0.00 0.00 175.10 174.33 1hxm s LYS 143 N 2.68 2.90 -0.26 2.72 1.02 -0.12 -0.49 119.74 128.19 1hxm s LYS 143 Ca 0.27 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 1hxm s LYS 143 Cb -0.15 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1hxm s LYS 143 CO 0.11 0.64 0.19 0.39 -0.92 0.00 0.00 175.35 175.75 1hxm n GLU 144 N 2.32 -2.16 -3.75 1.68 -0.58 -0.55 -1.62 120.64 115.98 1hxm n GLU 144 Ca -0.18 1.91 -0.10 0.00 -0.42 0.00 0.00 57.16 58.37 1hxm n GLU 144 Cb 0.53 -3.71 -0.06 0.00 -0.57 0.00 0.00 31.44 27.62 1hxm n GLU 144 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1hxm s PHE 145 N -1.59 -0.05 -0.20 -0.32 -0.12 -0.85 -3.93 117.98 110.92 1hxm s PHE 145 Ca 0.09 -0.24 -0.25 0.00 -0.05 0.00 0.00 56.93 56.48 1hxm s PHE 145 Cb -0.02 0.09 0.07 0.00 -0.63 0.00 0.00 43.02 42.53 1hxm s PHE 145 CO 0.56 -0.57 0.68 -0.47 -0.05 0.00 0.00 175.22 175.37 1hxm s TYR 146 N -3.35 -0.72 0.00 3.49 5.04 -1.15 -2.15 117.35 118.51 1hxm s TYR 146 Ca 0.01 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 1hxm s TYR 146 Cb 0.02 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.62 1hxm s TYR 146 CO -0.08 -0.42 0.00 -0.35 -1.34 0.00 0.00 175.55 173.36 1hxm n PRO 147 N 2.27 0.48 -0.03 4.97 -0.04 -1.26 -1.69 135.00 139.71 1hxm n PRO 147 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 1hxm n PRO 147 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 1hxm n PRO 147 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1hxm h LYS 148 N 0.00 0.02 -6.15 0.54 3.64 -2.01 -3.45 116.57 109.17 1hxm h LYS 148 Ca 0.00 -0.01 -0.69 0.00 -1.27 0.00 0.00 60.65 58.67 1hxm h LYS 148 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1hxm h LYS 148 CO 0.00 0.60 1.06 -3.47 -2.27 0.00 0.00 179.45 175.38 1hxm n ASP 149 N -4.79 2.61 -3.60 4.20 2.03 -1.26 -4.94 116.55 110.80 1hxm n ASP 149 Ca -0.09 0.91 -0.13 0.00 0.52 0.00 0.00 54.79 56.01 1hxm n ASP 149 Cb 0.30 -1.22 -0.05 0.00 -0.72 0.00 0.00 41.12 39.43 1hxm n ASP 149 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hxm s ILE 150 N 4.47 0.04 -0.09 5.18 2.07 -1.26 -4.57 121.20 127.05 1hxm s ILE 150 Ca 0.99 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1hxm s ILE 150 Cb -0.93 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 40.66 1hxm s ILE 150 CO 0.59 -0.20 -0.15 -0.13 -1.91 0.00 0.00 174.94 173.13 1hxm s ARG 151 N -2.82 2.12 -0.16 3.50 0.52 -0.83 -5.00 118.95 116.27 1hxm s ARG 151 Ca -0.03 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 1hxm s ARG 151 Cb -0.00 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1hxm s ARG 151 CO -0.05 0.02 -0.15 0.42 0.02 0.00 0.00 175.30 175.56 1hxm s ILE 152 N 0.72 2.61 -0.10 1.52 1.01 -1.26 -1.15 121.20 124.55 1hxm s ILE 152 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1hxm s ILE 152 Cb -0.16 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1hxm s ILE 152 CO 0.03 0.51 -0.21 0.20 0.00 0.00 0.00 174.94 175.47 1hxm s ASN 153 N 0.95 2.81 -0.50 3.58 0.01 -0.03 -5.02 114.94 116.75 1hxm s ASN 153 Ca -0.03 -0.51 -0.16 0.00 -0.71 0.00 0.00 52.86 51.45 1hxm s ASN 153 Cb -0.15 -1.29 0.08 0.00 0.41 0.00 0.00 41.25 40.31 1hxm s ASN 153 CO -0.02 0.11 0.47 -0.76 -1.51 0.00 0.00 177.10 175.39 1hxm s LEU 154 N 0.54 5.62 0.05 0.60 1.02 -1.26 -0.30 118.68 124.94 1hxm s LEU 154 Ca -0.15 -1.36 -0.30 0.00 0.02 0.00 0.00 54.13 52.34 1hxm s LEU 154 Cb -0.17 -2.24 -0.09 0.00 0.02 0.00 0.00 46.19 43.71 1hxm s LEU 154 CO 0.05 -0.76 1.88 -0.69 0.02 0.00 0.00 176.35 176.85 1hxm s VAL 155 N 1.86 2.94 -0.27 -1.59 1.01 0.22 -4.89 120.40 119.69 1hxm s VAL 155 Ca 0.06 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1hxm s VAL 155 Cb -0.25 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.12 1hxm s VAL 155 CO 0.07 -0.01 0.71 -0.55 0.00 0.00 0.00 175.10 175.32 1hxm s SER 156 N 3.72 -0.75 -0.10 3.32 0.15 -1.26 -3.13 113.70 115.65 1hxm s SER 156 Ca 0.84 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 1hxm s SER 156 Cb -0.42 1.45 -0.09 0.00 -1.71 0.00 0.00 66.02 65.25 1hxm s SER 156 CO 0.38 -0.25 0.35 0.28 1.20 0.00 0.00 173.24 175.21 1hxm h SER 157 N 5.06 -0.07 -3.55 5.45 0.02 -1.94 -3.43 113.55 115.09 1hxm h SER 157 Ca -0.29 -0.26 -0.71 0.00 -0.84 0.00 0.00 61.79 59.69 1hxm h SER 157 Cb 1.16 0.02 -0.27 0.00 0.14 0.00 0.00 62.40 63.45 1hxm h SER 157 CO 0.06 0.54 -0.52 -0.54 -1.14 0.00 0.00 176.83 175.23 1hxm s LYS 158 N -2.13 2.65 -0.09 3.45 1.02 -1.26 -5.08 119.74 118.31 1hxm s LYS 158 Ca -0.07 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.65 1hxm s LYS 158 Cb -0.01 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1hxm s LYS 158 CO 0.24 -0.82 -0.16 -1.59 -0.92 0.00 0.00 175.35 172.10 1hxm s LYS 159 N 1.45 2.89 -0.05 1.68 -2.85 -1.26 -1.95 119.74 119.64 1hxm s LYS 159 Ca 0.02 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 54.23 1hxm s LYS 159 Cb -0.21 -2.43 -0.01 0.00 -2.06 0.00 0.00 37.83 33.12 1hxm s LYS 159 CO 0.03 0.39 0.09 0.82 0.10 0.00 0.00 175.35 176.79 1hxm h ILE 160 N 4.98 0.00 -3.37 3.79 2.04 -0.58 -3.48 117.51 120.89 1hxm h ILE 160 Ca -0.34 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1hxm h ILE 160 Cb 1.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.13 1hxm h ILE 160 CO 0.52 0.00 -0.12 0.42 0.00 0.00 0.00 178.15 178.97 1hxm s THR 161 N -1.57 0.08 -0.02 -0.27 -4.23 -1.02 -4.96 115.64 103.66 1hxm s THR 161 Ca -0.01 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1hxm s THR 161 Cb 0.00 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1hxm s THR 161 CO 0.02 -0.35 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.10 1hxm s GLU 162 N -3.52 0.53 0.20 3.99 2.02 -1.26 0.69 118.70 121.34 1hxm s GLU 162 Ca 0.01 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 54.91 1hxm s GLU 162 Cb 0.02 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1hxm s GLU 162 CO -0.10 0.05 0.21 -0.06 0.02 0.00 0.00 175.26 175.38 1hxm s PHE 163 N 0.24 3.23 0.23 1.61 0.08 0.14 -5.00 117.98 118.51 1hxm s PHE 163 Ca -0.03 -0.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.68 1hxm s PHE 163 Cb -0.06 -1.51 -0.13 0.00 -0.57 0.00 0.00 43.02 40.74 1hxm s PHE 163 CO -0.00 0.51 1.44 -0.25 -0.10 0.00 0.00 175.22 176.82 1hxm n ASP 164 N -0.76 2.85 -4.08 1.36 8.00 -1.26 -4.32 116.55 118.34 1hxm n ASP 164 Ca -0.08 1.13 -0.30 0.00 0.71 0.00 0.00 54.79 56.26 1hxm n ASP 164 Cb 0.56 -1.43 0.21 0.00 -0.02 0.00 0.00 41.12 40.43 1hxm n ASP 164 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1hxm s PRO 165 N -0.23 -0.23 -0.06 -0.24 0.04 -1.26 -4.74 135.00 128.28 1hxm s PRO 165 Ca 0.69 -0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 1hxm s PRO 165 Cb -0.65 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1hxm s PRO 165 CO 0.48 -3.04 -0.01 0.00 0.04 0.00 0.00 177.00 174.46 1hxm s ALA 166 N -3.34 0.69 -0.17 8.56 0.00 -0.23 -4.97 121.76 122.30 1hxm s ALA 166 Ca 0.71 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 1hxm s ALA 166 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1hxm s ALA 166 CO 0.55 -0.32 0.02 0.42 0.00 0.00 0.00 175.76 176.42 1hxm s ILE 167 N 1.64 4.37 0.15 0.00 1.09 -1.26 -1.74 121.20 125.45 1hxm s ILE 167 Ca 0.00 -0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.40 1hxm s ILE 167 Cb -0.13 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1hxm s ILE 167 CO -0.04 0.48 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.52 1hxm s VAL 168 N 0.36 0.96 0.04 2.92 1.01 -0.23 -4.98 120.40 120.48 1hxm s VAL 168 Ca -0.00 -2.01 -0.27 0.00 0.00 0.00 0.00 61.98 59.69 1hxm s VAL 168 Cb -0.13 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1hxm s VAL 168 CO 0.01 -0.69 0.84 -0.63 0.00 0.00 0.00 175.10 174.64 1hxm s ILE 169 N -3.46 4.75 0.63 2.22 1.01 -1.26 -0.89 121.20 124.20 1hxm s ILE 169 Ca 0.18 1.79 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 1hxm s ILE 169 Cb 0.04 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1hxm s ILE 169 CO 0.01 0.30 0.94 -0.94 0.00 0.00 0.00 174.94 175.24 1hxm s SER 170 N 0.29 5.32 0.51 3.58 1.04 -0.73 -4.80 113.70 118.92 1hxm s SER 170 Ca 0.43 0.62 0.17 0.00 0.48 0.00 0.00 55.95 57.65 1hxm s SER 170 Cb -0.21 -1.49 1.28 0.00 0.10 0.00 0.00 66.02 65.70 1hxm s SER 170 CO 0.25 -1.25 2.13 -0.65 0.98 0.00 0.00 173.24 174.70 1hxm h PRO 171 N -0.32 0.00 0.00 4.02 0.11 -1.97 0.92 132.00 134.77 1hxm h PRO 171 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hxm h PRO 171 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1hxm h PRO 171 CO 0.60 0.03 0.00 0.43 -0.21 0.00 0.00 178.00 178.85 1hxm n SER 172 N -4.43 0.00 -0.10 -2.05 7.64 -1.26 -4.84 113.62 108.58 1hxm n SER 172 Ca -0.03 -1.33 -0.01 0.00 1.01 0.00 0.00 58.87 58.51 1hxm n SER 172 Cb 0.12 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 1hxm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hxm n GLY 173 N 0.66 0.51 0.00 0.23 0.00 0.32 -5.00 105.19 101.91 1hxm n GLY 173 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1hxm n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hxm n LYS 174 N -2.77 0.80 -4.06 1.61 5.02 -1.25 -4.60 118.16 112.91 1hxm n LYS 174 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1hxm n LYS 174 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.97 1hxm n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hxm s TYR 175 N 4.18 0.48 0.11 2.13 2.02 -0.92 -1.78 117.35 123.58 1hxm s TYR 175 Ca 0.00 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 1hxm s TYR 175 Cb 0.00 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1hxm s TYR 175 CO 0.00 -0.26 0.04 -0.80 -1.57 0.00 0.00 175.55 172.96 1hxm s ASN 176 N -2.28 0.35 0.06 2.29 0.01 -0.06 -1.48 114.94 113.82 1hxm s ASN 176 Ca -0.02 -1.15 -0.24 0.00 -0.71 0.00 0.00 52.86 50.73 1hxm s ASN 176 Cb -0.01 0.27 0.06 0.00 0.41 0.00 0.00 41.25 41.99 1hxm s ASN 176 CO -0.05 -0.70 0.58 0.00 -1.51 0.00 0.00 177.10 175.42 1hxm s ALA 177 N -4.01 -1.50 0.01 0.60 0.00 0.36 -1.06 121.76 116.15 1hxm s ALA 177 Ca 0.20 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1hxm s ALA 177 Cb 0.08 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1hxm s ALA 177 CO -0.01 -0.55 -0.01 0.08 0.00 0.00 0.00 175.76 175.27 1hxm s VAL 178 N -2.52 0.06 -0.03 0.00 1.01 -0.71 -1.22 120.40 116.98 1hxm s VAL 178 Ca -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1hxm s VAL 178 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1hxm s VAL 178 CO -0.02 -0.17 0.03 -0.75 0.00 0.00 0.00 175.10 174.19 1hxm s LYS 179 N -0.52 0.08 0.07 2.72 2.20 -0.82 -1.07 119.74 122.40 1hxm s LYS 179 Ca -0.05 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1hxm s LYS 179 Cb -0.04 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.82 1hxm s LYS 179 CO -0.00 -0.21 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.13 1hxm s LEU 180 N 1.43 2.86 0.21 5.43 1.02 -1.26 -0.48 118.68 127.89 1hxm s LEU 180 Ca -0.04 -0.38 -0.19 0.00 0.02 0.00 0.00 54.13 53.53 1hxm s LEU 180 Cb -0.13 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.44 1hxm s LEU 180 CO -0.03 0.22 0.59 -0.83 0.02 0.00 0.00 176.35 176.32 1hxm s GLY 181 N -1.79 -0.19 -0.15 -3.19 0.00 -0.64 -0.68 107.32 100.68 1hxm s GLY 181 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1hxm s GLY 181 CO 0.09 -0.13 -0.10 0.54 0.00 0.00 0.00 173.10 173.49 1hxm s LYS 182 N -3.86 3.44 -0.00 2.90 1.02 0.22 -1.65 119.74 121.81 1hxm s LYS 182 Ca 0.08 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1hxm s LYS 182 Cb -0.02 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1hxm s LYS 182 CO -0.02 0.17 0.00 0.71 -0.92 0.00 0.00 175.35 175.29 1hxm s TYR 183 N 0.48 0.01 0.06 3.18 2.02 0.24 0.23 117.35 123.56 1hxm s TYR 183 Ca -0.08 0.01 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 1hxm s TYR 183 Cb -0.15 -0.02 -0.17 0.00 -0.40 0.00 0.00 41.96 41.21 1hxm s TYR 183 CO 0.04 -0.01 1.59 0.93 -1.57 0.00 0.00 175.55 176.53 1hxm h GLU 184 N 6.23 -0.52 -1.35 -0.62 4.39 -1.69 -2.88 114.58 118.14 1hxm h GLU 184 Ca -0.26 0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.31 1hxm h GLU 184 Cb 1.20 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 1hxm h GLU 184 CO 0.51 -0.31 0.22 -0.40 -1.16 0.00 0.00 179.01 177.87 1hxm n ASP 185 N -5.30 4.61 -0.39 1.42 5.75 -1.26 -4.61 116.55 116.77 1hxm n ASP 185 Ca -0.11 -2.63 0.32 0.00 -0.01 0.00 0.00 54.79 52.36 1hxm n ASP 185 Cb 0.25 -0.84 0.63 0.00 -1.03 0.00 0.00 41.12 40.12 1hxm n ASP 185 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1hxm h SER 186 N 0.78 0.26 0.07 -1.12 4.64 -1.84 0.31 113.55 116.66 1hxm h SER 186 Ca 0.18 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1hxm h SER 186 Cb 1.25 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1hxm h SER 186 CO 0.39 -0.04 -0.06 0.78 -0.87 0.00 0.00 176.83 177.04 1hxm h ASN 187 N 0.18 0.00 0.00 4.97 2.35 -1.89 -2.81 115.58 118.39 1hxm h ASN 187 Ca 0.70 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.41 1hxm h ASN 187 Cb 2.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.56 1hxm h ASN 187 CO -0.27 0.06 -2.02 -1.54 -1.65 0.00 0.00 177.43 172.00 1hxm n SER 188 N -4.34 0.09 -4.51 5.81 3.41 0.06 -5.00 113.62 109.14 1hxm n SER 188 Ca -0.03 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.12 1hxm n SER 188 Cb 0.14 1.88 -0.02 0.00 -0.26 0.00 0.00 64.21 65.94 1hxm n SER 188 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1hxm n VAL 189 N -2.30 1.92 -4.25 -3.33 0.31 -0.94 -5.00 118.33 104.74 1hxm n VAL 189 Ca -0.07 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.64 1hxm n VAL 189 Cb 0.62 -0.55 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 1hxm n VAL 189 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1hxm s THR 190 N -0.98 0.37 -0.08 2.52 -4.23 -1.18 -4.98 115.64 107.08 1hxm s THR 190 Ca 0.62 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1hxm s THR 190 Cb -0.81 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 1hxm s THR 190 CO 0.58 -0.12 -0.25 0.00 -0.54 0.00 0.00 174.62 174.29 1hxm s SER 192 N 0.05 2.00 0.08 0.00 0.01 0.59 -0.05 113.70 116.38 1hxm s SER 192 Ca -0.10 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 56.94 1hxm s SER 192 Cb -0.16 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1hxm s SER 192 CO 0.06 0.15 -0.26 -0.69 0.41 0.00 0.00 173.24 172.91 1hxm s VAL 193 N -0.02 2.27 -0.23 3.43 1.01 0.95 -0.85 120.40 126.96 1hxm s VAL 193 Ca -0.02 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.42 1hxm s VAL 193 Cb -0.10 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1hxm s VAL 193 CO 0.01 0.24 -0.09 -1.58 0.00 0.00 0.00 175.10 173.68 1hxm s GLN 194 N -1.63 2.90 -0.14 2.72 2.00 -0.30 -0.97 119.66 124.22 1hxm s GLN 194 Ca 0.13 -0.93 -0.09 0.00 -2.00 0.00 0.00 55.36 52.48 1hxm s GLN 194 Cb -0.10 -2.90 0.05 0.00 0.80 0.00 0.00 33.01 30.86 1hxm s GLN 194 CO 0.04 -0.35 0.35 -1.58 -0.50 0.00 0.00 175.29 173.26 1hxm s HIS 195 N 1.32 -0.48 -1.44 1.67 5.65 -0.18 -1.96 115.29 119.87 1hxm s HIS 195 Ca 0.01 1.08 -0.07 0.00 0.25 0.00 0.00 55.06 56.33 1hxm s HIS 195 Cb -0.16 0.18 0.05 0.00 -1.18 0.00 0.00 32.58 31.47 1hxm s HIS 195 CO -0.06 -0.28 0.79 -3.47 -0.65 0.00 0.00 174.74 171.07 1hxm n ASP 196 N 3.97 -2.74 -0.11 9.88 2.03 -1.26 -0.30 116.55 128.02 1hxm n ASP 196 Ca -0.22 -0.84 -0.01 0.00 0.52 0.00 0.00 54.79 54.24 1hxm n ASP 196 Cb 0.55 -3.77 -0.01 0.00 -0.72 0.00 0.00 41.12 37.17 1hxm n ASP 196 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hxm n ASN 197 N -2.93 -5.50 -4.80 1.67 3.02 -1.26 -4.97 115.26 100.49 1hxm n ASN 197 Ca -0.13 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.23 1hxm n ASN 197 Cb 0.60 -3.13 -0.05 0.00 -0.61 0.00 0.00 39.78 36.59 1hxm n ASN 197 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hxm s LYS 198 N -1.84 2.42 -0.16 3.52 1.02 0.59 -5.12 119.74 120.17 1hxm s LYS 198 Ca 0.00 -1.61 -0.00 0.00 0.02 0.00 0.00 55.97 54.38 1hxm s LYS 198 Cb 0.00 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1hxm s LYS 198 CO 0.00 -0.08 -0.07 0.99 -0.92 0.00 0.00 175.35 175.27 1hxm s THR 199 N -2.49 1.25 -0.10 2.17 2.01 -1.26 -1.01 115.64 116.22 1hxm s THR 199 Ca 0.43 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1hxm s THR 199 Cb -0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1hxm s THR 199 CO 0.25 0.21 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1hxm s VAL 200 N 1.58 3.52 0.17 3.82 1.01 -0.15 -4.95 120.40 125.40 1hxm s VAL 200 Ca 0.01 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1hxm s VAL 200 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1hxm s VAL 200 CO -0.08 0.56 -0.04 -1.00 0.00 0.00 0.00 175.10 174.54 1hxm s HIS 201 N -0.33 2.77 0.31 5.22 3.76 -1.26 -0.04 115.29 125.72 1hxm s HIS 201 Ca 0.04 -0.16 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1hxm s HIS 201 Cb -0.13 -1.35 0.50 0.00 1.11 0.00 0.00 32.58 32.71 1hxm s HIS 201 CO 0.02 0.51 1.76 0.66 -0.85 0.00 0.00 174.74 176.84 1hxm h SER 202 N 2.83 0.37 0.88 1.40 4.64 -0.65 -2.03 113.55 121.00 1hxm h SER 202 Ca -0.47 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1hxm h SER 202 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hxm h SER 202 CO 0.56 0.64 0.00 0.35 -0.87 0.00 0.00 176.83 177.51 1hxm n THR 203 N -4.13 0.77 1.01 2.95 -2.24 -1.26 -2.63 114.28 108.75 1hxm n THR 203 Ca -0.01 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 1hxm n THR 203 Cb 0.39 -1.02 0.38 0.00 -2.10 0.00 0.00 70.33 67.98 1hxm n THR 203 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hxm n ASP 204 N -2.19 0.00 -0.50 3.42 9.92 -0.76 -2.49 116.55 123.95 1hxm n ASP 204 Ca 0.03 -0.61 0.04 0.00 -0.53 0.00 0.00 54.79 53.72 1hxm n ASP 204 Cb 0.27 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.82 1hxm n ASP 204 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1hxm n PHE 205 N -0.89 0.00 -0.46 1.24 3.72 -1.08 -5.02 117.46 114.96 1hxm n PHE 205 Ca 0.09 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 1hxm n PHE 205 Cb 0.04 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1hxm n PHE 205 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10