#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxz s LYS 2 N 0.00 4.58 0.85 4.33 1.02 -1.26 -5.04 119.74 124.22 3hxz s LYS 2 Ca 0.00 1.74 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 3hxz s LYS 2 Cb 0.00 -3.09 0.10 0.00 -0.52 0.00 0.00 37.83 34.32 3hxz s LYS 2 CO 0.00 0.17 1.11 -1.54 -0.92 0.00 0.00 175.35 174.17 3hxz s SER 3 N -1.01 3.97 0.24 2.83 1.04 -1.26 -4.78 113.70 114.73 3hxz s SER 3 Ca 0.46 1.24 -0.06 0.00 0.48 0.00 0.00 55.95 58.08 3hxz s SER 3 Cb -0.30 -1.93 0.30 0.00 0.10 0.00 0.00 66.02 64.20 3hxz s SER 3 CO 0.38 -2.29 1.85 0.74 0.98 0.00 0.00 173.24 174.91 3hxz h THR 4 N -1.31 1.06 -0.61 2.02 2.02 -1.96 -0.72 112.91 113.41 3hxz h THR 4 Ca -0.49 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3hxz h THR 4 Cb 1.29 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3hxz h THR 4 CO 0.59 0.18 0.33 0.00 0.37 0.00 0.00 175.52 176.99 3hxz h ALA 5 N 1.39 0.78 -0.50 6.16 0.00 -1.92 -1.07 119.26 124.10 3hxz h ALA 5 Ca 0.36 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3hxz h ALA 5 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hxz h ALA 5 CO -0.16 0.29 -0.03 0.93 0.00 0.00 0.00 179.25 180.28 3hxz h GLU 6 N 0.82 0.85 -0.29 0.00 5.08 -1.79 -1.56 114.58 117.69 3hxz h GLU 6 Ca 0.21 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3hxz h GLU 6 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hxz h GLU 6 CO -0.03 0.87 0.01 0.82 -1.00 0.00 0.00 179.01 179.68 3hxz h ILE 7 N 0.78 1.25 -0.41 3.13 2.04 -0.90 0.10 117.51 123.51 3hxz h ILE 7 Ca 0.15 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.16 3hxz h ILE 7 Cb 0.51 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3hxz h ILE 7 CO 0.03 0.29 0.15 -0.09 0.00 0.00 0.00 178.15 178.52 3hxz h ARG 8 N 0.30 0.31 -0.41 2.37 2.43 -1.06 -1.72 114.38 116.60 3hxz h ARG 8 Ca 0.08 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3hxz h ARG 8 Cb 0.41 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3hxz h ARG 8 CO 0.01 0.20 -0.25 0.37 -1.51 0.00 0.00 179.97 178.79 3hxz h GLN 9 N 0.31 0.86 -0.65 0.20 5.75 -1.13 -2.88 115.11 117.58 3hxz h GLN 9 Ca 0.19 -0.37 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 3hxz h GLN 9 Cb 0.17 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3hxz h GLN 9 CO -0.19 1.01 0.11 0.00 -2.65 0.00 0.00 178.83 177.12 3hxz h ALA 10 N 0.97 0.97 -0.03 3.38 0.00 -0.53 0.59 119.26 124.61 3hxz h ALA 10 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hxz h ALA 10 Cb 0.80 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hxz h ALA 10 CO 0.07 0.65 0.00 0.35 0.00 0.00 0.00 179.25 180.32 3hxz h PHE 11 N 1.00 0.01 -0.73 0.00 3.57 -1.27 -0.53 116.94 118.99 3hxz h PHE 11 Ca 0.20 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3hxz h PHE 11 Cb 0.42 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3hxz h PHE 11 CO 0.03 0.00 0.25 -0.07 -2.23 0.00 0.00 178.31 176.29 3hxz h LEU 12 N 0.02 1.04 -0.82 0.59 3.38 -1.28 -2.54 115.31 115.70 3hxz h LEU 12 Ca 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3hxz h LEU 12 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3hxz h LEU 12 CO -0.02 0.95 0.38 0.44 0.09 0.00 0.00 178.44 180.28 3hxz h ASP 13 N 1.08 1.09 0.27 -0.43 3.32 -0.69 -0.11 116.42 120.96 3hxz h ASP 13 Ca 0.24 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hxz h ASP 13 Cb 0.27 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hxz h ASP 13 CO -0.01 0.93 -0.15 0.15 -1.72 0.00 0.00 179.24 178.44 3hxz h PHE 14 N 1.17 -0.39 -0.06 4.55 3.57 -0.74 -0.83 116.94 124.21 3hxz h PHE 14 Ca 0.28 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 3hxz h PHE 14 Cb 0.15 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3hxz h PHE 14 CO 0.02 -0.24 -0.61 0.74 -2.23 0.00 0.00 178.31 175.98 3hxz h PHE 15 N -0.40 0.28 -0.83 0.41 0.04 -1.37 -2.35 116.94 112.72 3hxz h PHE 15 Ca -0.03 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.65 3hxz h PHE 15 Cb 0.32 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 3hxz h PHE 15 CO -0.07 0.77 0.54 1.25 -0.60 0.00 0.00 178.31 180.20 3hxz h HIS 16 N 0.16 1.02 0.00 -0.55 2.76 -0.93 -0.02 115.15 117.59 3hxz h HIS 16 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hxz h HIS 16 Cb 1.12 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3hxz h HIS 16 CO 0.02 0.61 0.00 0.66 -1.30 0.00 0.00 177.93 177.92 3hxz h SER 17 N 1.08 0.00 -0.64 3.26 4.64 -0.79 -1.61 113.55 119.50 3hxz h SER 17 Ca 0.32 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.45 3hxz h SER 17 Cb -0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.92 3hxz h SER 17 CO -0.09 0.00 0.24 0.29 -0.87 0.00 0.00 176.83 176.39 3hxz n LYS 18 N -3.05 3.36 -0.99 4.77 4.76 -0.45 -4.91 118.16 121.65 3hxz n LYS 18 Ca -0.00 -2.61 0.00 0.00 -2.87 0.00 0.00 58.31 52.83 3hxz n LYS 18 Cb 0.25 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 3hxz n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxz n GLY 19 N -0.07 0.48 3.73 0.72 0.00 -0.61 -5.02 105.19 104.42 3hxz n GLY 19 Ca 0.35 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3hxz n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxz s HIS 20 N -2.00 3.63 0.02 1.61 3.76 -0.15 -4.80 115.29 117.36 3hxz s HIS 20 Ca 0.00 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 55.94 3hxz s HIS 20 Cb 0.00 -2.82 -0.07 0.00 1.11 0.00 0.00 32.58 30.80 3hxz s HIS 20 CO 0.00 0.14 1.54 -1.14 -0.85 0.00 0.00 174.74 174.43 3hxz s GLN 21 N 0.55 4.23 -0.24 1.40 2.00 -0.58 -4.07 119.66 122.96 3hxz s GLN 21 Ca 0.38 2.15 -0.29 0.00 -2.00 0.00 0.00 55.36 55.60 3hxz s GLN 21 Cb -0.19 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3hxz s GLN 21 CO 0.20 -0.68 1.15 0.08 -0.50 0.00 0.00 175.29 175.54 3hxz s VAL 22 N 2.72 4.45 -0.05 1.34 1.01 -1.26 -0.89 120.40 127.71 3hxz s VAL 22 Ca 0.69 1.72 0.04 0.00 0.00 0.00 0.00 61.98 64.43 3hxz s VAL 22 Cb -0.35 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3hxz s VAL 22 CO 0.29 -0.27 -0.15 -0.69 0.00 0.00 0.00 175.10 174.28 3hxz s VAL 23 N 3.56 3.01 0.50 2.92 1.01 -0.55 -4.95 120.40 125.89 3hxz s VAL 23 Ca 0.49 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 3hxz s VAL 23 Cb -0.17 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 3hxz s VAL 23 CO 0.13 0.59 1.22 0.00 0.00 0.00 0.00 175.10 177.04 3hxz s ALA 24 N -0.63 2.89 0.24 5.51 0.00 -1.26 -4.41 121.76 124.09 3hxz s ALA 24 Ca 0.09 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 3hxz s ALA 24 Cb -0.11 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 3hxz s ALA 24 CO 0.01 -0.90 1.11 0.45 0.00 0.00 0.00 175.76 176.42 3hxz n SER 25 N -0.74 1.46 -4.80 0.00 2.88 -1.26 -4.97 113.62 106.19 3hxz n SER 25 Ca 0.09 1.16 -0.29 0.00 -1.33 0.00 0.00 58.87 58.50 3hxz n SER 25 Cb 0.47 -1.28 0.12 0.00 -0.75 0.00 0.00 64.21 62.78 3hxz n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hxz s SER 26 N -0.26 3.84 0.96 -3.46 1.04 -1.26 -5.01 113.70 109.55 3hxz s SER 26 Ca 0.65 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.84 3hxz s SER 26 Cb -0.75 -1.40 0.17 0.00 0.10 0.00 0.00 66.02 64.14 3hxz s SER 26 CO 0.56 -2.33 1.09 -0.55 0.98 0.00 0.00 173.24 172.99 3hxz s SER 27 N -4.25 2.74 0.10 7.02 0.15 -1.26 -4.67 113.70 113.52 3hxz s SER 27 Ca 0.63 1.70 0.26 0.00 0.70 0.00 0.00 55.95 59.24 3hxz s SER 27 Cb -0.13 -2.33 1.00 0.00 -1.71 0.00 0.00 66.02 62.85 3hxz s SER 27 CO 0.52 -3.13 1.81 0.18 1.20 0.00 0.00 173.24 173.81 3hxz n LEU 28 N -4.22 0.35 -4.10 3.45 4.77 -1.26 -4.68 117.00 111.30 3hxz n LEU 28 Ca 0.07 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.27 3hxz n LEU 28 Cb 0.54 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 3hxz n LEU 28 CO 0.54 -0.14 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.31 3hxz s VAL 29 N -3.06 2.26 0.42 4.08 1.01 -1.26 -0.65 120.40 123.19 3hxz s VAL 29 Ca 0.11 -1.38 -0.24 0.00 0.00 0.00 0.00 61.98 60.48 3hxz s VAL 29 Cb 0.15 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 3hxz s VAL 29 CO 0.52 0.14 1.11 -2.16 0.00 0.00 0.00 175.10 174.71 3hxz s PRO 30 N 1.18 4.02 -0.10 2.72 0.04 -1.26 -4.96 135.00 136.65 3hxz s PRO 30 Ca -0.04 1.66 0.16 0.00 0.04 0.00 0.00 61.00 62.82 3hxz s PRO 30 Cb -0.18 -2.54 -0.23 0.00 0.04 0.00 0.00 34.50 31.59 3hxz s PRO 30 CO -0.07 -0.30 0.43 1.58 0.04 0.00 0.00 177.00 178.68 3hxz n HIS 31 N -0.15 0.55 -2.09 0.56 -0.00 -1.26 -4.62 115.22 108.21 3hxz n HIS 31 Ca 0.05 0.20 -0.07 0.00 0.46 0.00 0.00 57.72 58.36 3hxz n HIS 31 Cb 0.48 -1.07 0.08 0.00 -0.12 0.00 0.00 29.99 29.36 3hxz n HIS 31 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hxz n ASN 32 N -2.88 2.86 -3.48 0.26 3.02 -1.26 -4.91 115.26 108.87 3hxz n ASN 32 Ca -0.22 -3.28 -0.28 0.00 -0.03 0.00 0.00 54.58 50.77 3hxz n ASN 32 Cb 1.06 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 39.68 3hxz n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hxz s ASP 33 N -3.31 2.97 0.35 6.41 -1.08 -1.26 -5.00 116.67 115.74 3hxz s ASP 33 Ca 0.41 -1.79 0.26 0.00 -0.52 0.00 0.00 52.55 50.91 3hxz s ASP 33 Cb 0.38 -0.27 1.16 0.00 -1.46 0.00 0.00 42.92 42.73 3hxz s ASP 33 CO -0.03 -0.35 1.79 1.55 0.52 0.00 0.00 175.17 178.65 3hxz h PRO 34 N 7.53 0.00 -0.00 4.34 0.13 -1.94 -2.40 132.00 139.65 3hxz h PRO 34 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hxz h PRO 34 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hxz h PRO 34 CO 0.32 0.00 -0.14 0.25 -0.23 0.00 0.00 178.00 178.20 3hxz n THR 35 N -2.45 0.00 -4.00 1.56 -2.24 -1.26 -4.85 114.28 101.03 3hxz n THR 35 Ca 0.01 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 3hxz n THR 35 Cb 0.21 -0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 68.20 3hxz n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxz s LEU 36 N -2.59 2.76 -0.00 3.22 2.96 -0.91 -5.01 118.68 119.11 3hxz s LEU 36 Ca 0.25 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3hxz s LEU 36 Cb 0.20 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 3hxz s LEU 36 CO 0.51 -0.06 0.67 0.25 -1.32 0.00 0.00 176.35 176.39 3hxz h LEU 37 N 8.00 -0.20 -8.55 -0.68 5.85 -1.88 -3.45 115.31 114.40 3hxz h LEU 37 Ca -0.39 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 57.98 3hxz h LEU 37 Cb 1.13 0.05 -0.17 0.00 0.37 0.00 0.00 40.66 42.04 3hxz h LEU 37 CO 0.60 -0.08 -0.74 -0.36 -0.34 0.00 0.00 178.44 177.52 3hxz s PHE 38 N -2.73 1.24 -0.08 1.25 0.08 -1.26 -4.72 117.98 111.75 3hxz s PHE 38 Ca -0.03 -0.63 -0.34 0.00 0.12 0.00 0.00 56.93 56.05 3hxz s PHE 38 Cb 0.00 -0.65 -0.11 0.00 -0.57 0.00 0.00 43.02 41.69 3hxz s PHE 38 CO 0.10 0.08 1.91 2.41 -0.10 0.00 0.00 175.22 179.62 3hxz n THR 39 N 0.39 0.60 0.12 0.64 -1.04 0.18 -4.84 114.28 110.33 3hxz n THR 39 Ca -0.15 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 3hxz n THR 39 Cb 0.58 -1.95 0.02 0.00 -1.82 0.00 0.00 70.33 67.16 3hxz n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hxz n ASN 40 N 6.98 1.49 -3.49 8.00 0.23 -1.26 -1.18 115.26 126.02 3hxz n ASN 40 Ca 0.23 -1.30 -0.15 0.00 -0.53 0.00 0.00 54.58 52.82 3hxz n ASN 40 Cb 0.31 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.95 3hxz n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxz s ALA 41 N -0.43 -1.73 0.48 -2.53 0.00 -1.26 -4.87 121.76 111.41 3hxz s ALA 41 Ca 0.05 1.07 0.20 0.00 0.00 0.00 0.00 51.96 53.28 3hxz s ALA 41 Cb 0.03 0.24 1.21 0.00 0.00 0.00 0.00 23.12 24.60 3hxz s ALA 41 CO 0.05 -0.50 1.97 0.78 0.00 0.00 0.00 175.76 178.05 3hxz h GLY 42 N 2.62 0.36 2.00 0.00 0.00 -1.89 -2.55 103.07 103.61 3hxz h GLY 42 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3hxz h GLY 42 CO 0.38 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.96 3hxz h MET 43 N 0.22 0.00 -0.62 4.80 -0.00 -1.96 -3.35 114.93 114.03 3hxz h MET 43 Ca 0.30 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 60.13 3hxz h MET 43 Cb 0.87 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.36 3hxz h MET 43 CO -0.06 0.00 0.02 -0.91 -0.00 0.00 0.00 176.91 175.96 3hxz h ASN 44 N 0.00 -0.23 0.60 -0.10 -0.26 -1.87 0.23 115.58 113.94 3hxz h ASN 44 Ca 0.00 0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3hxz h ASN 44 Cb 0.52 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3hxz h ASN 44 CO 0.00 -0.10 0.00 0.00 -1.06 0.00 0.00 177.43 176.27 3hxz n GLN 45 N -5.26 0.08 -0.23 0.81 10.64 -1.26 -2.12 117.38 120.04 3hxz n GLN 45 Ca 0.09 0.14 0.06 0.00 -1.83 0.00 0.00 57.00 55.47 3hxz n GLN 45 Cb 0.36 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.41 3hxz n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hxz n PHE 46 N -1.44 0.57 -0.12 2.61 3.72 0.01 -4.75 117.46 118.07 3hxz n PHE 46 Ca 0.06 -0.56 -0.05 0.00 -0.05 0.00 0.00 57.45 56.86 3hxz n PHE 46 Cb 0.21 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 3hxz n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxz h LYS 47 N 2.12 0.04 0.00 -1.08 3.64 -0.86 -0.48 116.57 119.94 3hxz h LYS 47 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hxz h LYS 47 Cb 0.86 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hxz h LYS 47 CO 0.04 0.03 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.65 3hxz h ASP 48 N 0.04 0.00 -0.15 4.20 3.32 -1.85 -2.01 116.42 119.97 3hxz h ASP 48 Ca 0.19 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hxz h ASP 48 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hxz h ASP 48 CO -0.38 0.15 -0.10 0.58 -1.72 0.00 0.00 179.24 177.77 3hxz h VAL 49 N 0.00 1.33 -0.25 -1.35 2.07 -1.24 0.69 116.25 117.50 3hxz h VAL 49 Ca -0.00 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3hxz h VAL 49 Cb 0.52 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3hxz h VAL 49 CO 0.02 0.35 0.08 -0.26 0.02 0.00 0.00 177.57 177.78 3hxz h PHE 50 N -0.01 0.35 0.00 1.57 0.04 -1.00 -1.37 116.94 116.53 3hxz h PHE 50 Ca 0.03 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hxz h PHE 50 Cb 0.59 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3hxz h PHE 50 CO 0.07 0.30 0.00 1.28 -0.60 0.00 0.00 178.31 179.36 3hxz n LEU 51 N -4.41 0.18 -0.32 1.54 4.77 -0.79 -4.60 117.00 113.38 3hxz n LEU 51 Ca 0.01 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 3hxz n LEU 51 Cb 0.14 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3hxz n LEU 51 CO 0.36 -0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 176.88 3hxz n GLY 52 N 1.11 0.69 0.08 -0.72 0.00 -0.52 -4.67 105.19 101.16 3hxz n GLY 52 Ca 0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 3hxz n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hxz n LEU 53 N -0.47 0.52 -4.13 0.99 4.77 0.14 -4.88 117.00 113.94 3hxz n LEU 53 Ca -0.04 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 3hxz n LEU 53 Cb 0.14 0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 3hxz n LEU 53 CO 0.06 0.27 -0.52 -0.62 -1.33 0.00 0.00 177.39 175.26 3hxz s ASP 54 N -5.61 2.48 0.02 -1.43 2.15 -0.60 -4.98 116.67 108.69 3hxz s ASP 54 Ca -0.06 -0.44 0.06 0.00 0.43 0.00 0.00 52.55 52.54 3hxz s ASP 54 Cb 0.08 -1.14 -0.03 0.00 -0.30 0.00 0.00 42.92 41.54 3hxz s ASP 54 CO 0.83 0.10 -0.15 -0.75 -0.17 0.00 0.00 175.17 175.03 3hxz s LYS 55 N 0.50 2.26 0.38 4.34 2.20 -1.26 -3.93 119.74 124.23 3hxz s LYS 55 Ca -0.17 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 54.65 3hxz s LYS 55 Cb -0.17 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 3hxz s LYS 55 CO 0.06 0.57 0.17 1.03 -0.36 0.00 0.00 175.35 176.83 3hxz s ARG 56 N -1.29 2.31 0.00 4.03 1.81 -1.26 -5.01 118.95 119.53 3hxz s ARG 56 Ca 0.15 -1.69 0.27 0.00 -1.72 0.00 0.00 55.73 52.74 3hxz s ARG 56 Cb -0.11 -2.10 1.33 0.00 -0.45 0.00 0.00 34.95 33.62 3hxz s ARG 56 CO 0.05 -0.02 1.91 0.09 -0.68 0.00 0.00 175.30 176.65 3hxz n ASN 57 N -1.21 0.00 -4.38 0.23 3.02 -1.26 -4.77 115.26 106.89 3hxz n ASN 57 Ca -0.02 -0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.24 3hxz n ASN 57 Cb 0.63 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 3hxz n ASN 57 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hxz s TYR 58 N -2.63 2.21 -1.27 3.10 -0.85 -1.26 -5.04 117.35 111.61 3hxz s TYR 58 Ca 0.24 -0.39 0.11 0.00 -0.52 0.00 0.00 57.07 56.51 3hxz s TYR 58 Cb 0.18 -1.18 0.06 0.00 0.38 0.00 0.00 41.96 41.40 3hxz s TYR 58 CO 0.42 0.35 0.80 -1.13 -1.52 0.00 0.00 175.55 174.46 3hxz n SER 59 N 0.81 1.74 -3.81 -0.18 3.41 -1.26 -4.95 113.62 109.37 3hxz n SER 59 Ca -0.17 -1.37 -0.12 0.00 -0.26 0.00 0.00 58.87 56.94 3hxz n SER 59 Cb 0.54 0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 3hxz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxz s ARG 60 N -1.05 0.32 0.14 4.33 1.70 -1.26 -0.36 118.95 122.76 3hxz s ARG 60 Ca 0.12 0.11 -0.09 0.00 -0.47 0.00 0.00 55.73 55.40 3hxz s ARG 60 Cb 0.09 0.15 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3hxz s ARG 60 CO 0.17 -0.06 0.26 0.00 -1.08 0.00 0.00 175.30 174.59 3hxz s ALA 61 N -0.30 -0.09 -0.06 7.88 0.00 -0.44 -1.52 121.76 127.22 3hxz s ALA 61 Ca -0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3hxz s ALA 61 Cb -0.03 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3hxz s ALA 61 CO 0.01 -0.60 0.16 -0.08 0.00 0.00 0.00 175.76 175.24 3hxz s THR 62 N -3.93 -0.01 0.05 0.00 -1.32 -0.07 -0.19 115.64 110.17 3hxz s THR 62 Ca 0.13 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.63 3hxz s THR 62 Cb 0.04 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.76 3hxz s THR 62 CO -0.04 0.02 0.03 0.42 -2.21 0.00 0.00 174.62 172.84 3hxz s THR 63 N 0.39 0.19 -0.40 5.08 -4.23 -0.79 -1.48 115.64 114.41 3hxz s THR 63 Ca -0.03 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.93 3hxz s THR 63 Cb -0.04 -1.32 0.10 0.00 1.34 0.00 0.00 72.50 72.58 3hxz s THR 63 CO -0.02 -0.84 0.18 -0.55 -0.54 0.00 0.00 174.62 172.85 3hxz s SER 64 N -2.71 5.23 -0.22 3.99 0.15 -1.26 -1.03 113.70 117.85 3hxz s SER 64 Ca 0.04 -1.92 -0.12 0.00 0.70 0.00 0.00 55.95 54.65 3hxz s SER 64 Cb 0.05 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 3hxz s SER 64 CO -0.09 -0.51 0.22 -1.58 1.20 0.00 0.00 173.24 172.48 3hxz s GLN 65 N 1.16 4.12 0.09 5.44 2.00 0.12 -4.28 119.66 128.30 3hxz s GLN 65 Ca 0.07 -0.14 -0.31 0.00 -2.00 0.00 0.00 55.36 52.98 3hxz s GLN 65 Cb -0.22 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 30.01 3hxz s GLN 65 CO -0.04 0.08 1.24 -0.98 -0.50 0.00 0.00 175.29 175.09 3hxz s ARG 66 N 0.99 4.42 0.07 1.67 1.70 -1.26 -0.87 118.95 125.67 3hxz s ARG 66 Ca 0.11 1.84 0.06 0.00 -0.47 0.00 0.00 55.73 57.26 3hxz s ARG 66 Cb -0.13 -3.32 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 3hxz s ARG 66 CO 0.04 -0.27 -0.16 0.00 -1.08 0.00 0.00 175.30 173.83 3hxz s VAL 68 N -1.12 1.28 -0.67 0.00 1.01 -0.33 -1.28 120.40 119.29 3hxz s VAL 68 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3hxz s VAL 68 Cb -0.09 -1.21 0.17 0.00 0.00 0.00 0.00 36.38 35.24 3hxz s VAL 68 CO 0.02 0.40 0.48 -0.13 0.00 0.00 0.00 175.10 175.87 3hxz s ARG 69 N 1.26 2.56 -0.01 2.72 0.52 0.00 -4.34 118.95 121.67 3hxz s ARG 69 Ca -0.02 -2.83 0.04 0.00 -0.52 0.00 0.00 55.73 52.40 3hxz s ARG 69 Cb -0.14 -3.64 0.06 0.00 0.52 0.00 0.00 34.95 31.76 3hxz s ARG 69 CO -0.04 -1.19 1.03 0.00 0.02 0.00 0.00 175.30 175.11 3hxz n ALA 70 N 2.93 2.06 0.00 2.13 0.00 -1.24 -0.56 120.51 125.84 3hxz n ALA 70 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3hxz n ALA 70 Cb 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3hxz n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxz n GLY 71 N 0.01 1.09 7.00 0.00 0.00 -1.26 -4.89 105.19 107.14 3hxz n GLY 71 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hxz n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxz n GLY 72 N -0.51 0.58 0.26 -0.02 0.00 -1.26 -3.95 105.19 100.28 3hxz n GLY 72 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3hxz n GLY 72 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hxz h LYS 73 N 0.00 0.86 -4.80 1.61 1.63 -1.95 -3.39 116.57 110.52 3hxz h LYS 73 Ca 0.00 -0.18 -0.67 0.00 -0.85 0.00 0.00 60.65 58.95 3hxz h LYS 73 Cb 0.00 -0.13 -0.38 0.00 -0.60 0.00 0.00 32.23 31.13 3hxz h LYS 73 CO 0.00 0.78 -0.78 -1.01 -3.45 0.00 0.00 179.45 174.99 3hxz s HIS 74 N -5.42 3.37 -0.19 1.91 3.76 -1.25 -5.08 115.29 112.40 3hxz s HIS 74 Ca -0.13 -2.49 -0.02 0.00 -0.15 0.00 0.00 55.06 52.27 3hxz s HIS 74 Cb 0.12 -2.18 0.05 0.00 1.11 0.00 0.00 32.58 31.68 3hxz s HIS 74 CO 0.80 -0.90 0.00 1.21 -0.85 0.00 0.00 174.74 175.01 3hxz s ASN 75 N 1.06 2.96 -0.02 1.40 3.84 -1.26 -3.64 114.94 119.27 3hxz s ASN 75 Ca -0.04 -0.80 0.09 0.00 0.21 0.00 0.00 52.86 52.33 3hxz s ASN 75 Cb -0.20 -0.74 0.26 0.00 -0.55 0.00 0.00 41.25 40.03 3hxz s ASN 75 CO -0.06 -0.27 1.21 0.47 -2.79 0.00 0.00 177.10 175.67 3hxz n ASP 76 N 4.96 2.81 -0.26 -4.21 8.00 0.28 -4.73 116.55 123.40 3hxz n ASP 76 Ca -0.10 -2.12 0.06 0.00 0.71 0.00 0.00 54.79 53.34 3hxz n ASP 76 Cb 0.47 -0.22 0.20 0.00 -0.02 0.00 0.00 41.12 41.55 3hxz n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxz h LEU 77 N 1.53 0.25 0.00 0.64 5.85 -1.86 -0.83 115.31 120.90 3hxz h LEU 77 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hxz h LEU 77 Cb 0.76 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3hxz h LEU 77 CO 0.02 0.08 0.00 -0.62 -0.34 0.00 0.00 178.44 177.58 3hxz n GLU 78 N -5.02 0.12 0.14 1.25 -0.58 -1.26 -2.56 120.64 112.73 3hxz n GLU 78 Ca 0.15 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 57.06 3hxz n GLU 78 Cb 0.44 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.87 3hxz n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hxz h ASN 79 N 0.00 0.00 -2.84 1.62 2.35 -1.50 -3.45 115.58 111.76 3hxz h ASN 79 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3hxz h ASN 79 Cb 0.37 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.77 3hxz h ASN 79 CO 0.00 0.06 0.86 -0.69 -1.65 0.00 0.00 177.43 176.02 3hxz s VAL 80 N -3.26 2.87 0.00 2.81 1.01 -1.06 -1.46 120.40 121.30 3hxz s VAL 80 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3hxz s VAL 80 Cb 0.08 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3hxz s VAL 80 CO 0.75 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3hxz n GLY 81 N 3.73 2.54 0.01 4.51 0.00 -1.26 -4.82 105.19 109.90 3hxz n GLY 81 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3hxz n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxz n TYR 82 N -2.00 0.00 -4.33 1.61 4.01 -0.54 -4.95 117.16 110.96 3hxz n TYR 82 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3hxz n TYR 82 Cb 0.00 -0.29 -0.10 0.00 -0.31 0.00 0.00 39.34 38.64 3hxz n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxz s THR 83 N -3.11 1.12 -2.33 -0.72 -4.23 -1.05 -5.04 115.64 100.29 3hxz s THR 83 Ca -0.02 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 58.67 3hxz s THR 83 Cb 0.13 -2.28 0.50 0.00 1.34 0.00 0.00 72.50 72.18 3hxz s THR 83 CO 0.77 -0.39 1.62 0.00 -0.54 0.00 0.00 174.62 176.09 3hxz n ALA 84 N -0.40 2.54 -0.02 3.99 0.00 -1.26 -4.28 120.51 121.08 3hxz n ALA 84 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3hxz n ALA 84 Cb 0.63 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3hxz n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxz n ARG 85 N 0.22 4.52 -4.11 0.00 1.85 -1.26 -1.26 116.66 116.62 3hxz n ARG 85 Ca 0.17 -0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.65 3hxz n ARG 85 Cb 0.33 -0.39 -0.10 0.00 -1.05 0.00 0.00 32.46 31.25 3hxz n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxz s HIS 86 N -0.65 3.22 0.26 2.89 3.76 -1.26 -4.98 115.29 118.53 3hxz s HIS 86 Ca 0.00 0.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 3hxz s HIS 86 Cb 0.00 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.61 3hxz s HIS 86 CO 0.00 0.18 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.01 3hxz s HIS 87 N 0.18 1.84 -0.13 1.40 3.76 -1.26 -4.50 115.29 116.57 3hxz s HIS 87 Ca 0.03 -0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 54.00 3hxz s HIS 87 Cb -0.13 -1.04 -0.17 0.00 1.11 0.00 0.00 32.58 32.35 3hxz s HIS 87 CO 0.01 0.21 0.49 1.79 -0.85 0.00 0.00 174.74 176.39 3hxz h THR 88 N 2.34 1.17 -3.19 1.30 1.35 -1.86 -3.43 112.91 110.58 3hxz h THR 88 Ca -0.39 -1.89 -0.60 0.00 -0.55 0.00 0.00 66.41 62.97 3hxz h THR 88 Cb 1.23 2.22 -0.10 0.00 -1.73 0.00 0.00 68.15 69.77 3hxz h THR 88 CO 0.66 0.40 -0.41 0.12 -0.25 0.00 0.00 175.52 176.03 3hxz s PHE 89 N -2.01 3.46 0.23 4.73 5.36 -1.26 -0.82 117.98 127.68 3hxz s PHE 89 Ca -0.13 0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 56.12 3hxz s PHE 89 Cb -0.02 -2.21 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 3hxz s PHE 89 CO 0.46 0.34 0.63 -0.59 -1.46 0.00 0.00 175.22 174.60 3hxz s PHE 90 N 0.18 -0.21 -0.11 10.12 -0.12 -0.41 -4.89 117.98 122.54 3hxz s PHE 90 Ca 0.13 -0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 3hxz s PHE 90 Cb -0.12 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 3hxz s PHE 90 CO 0.02 -1.06 -0.02 -1.21 -0.05 0.00 0.00 175.22 172.89 3hxz s GLU 91 N -3.88 3.18 -0.23 1.99 2.02 -1.26 -0.10 118.70 120.42 3hxz s GLU 91 Ca 0.09 -0.46 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 3hxz s GLU 91 Cb -0.03 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3hxz s GLU 91 CO 0.01 0.54 0.11 -1.64 0.02 0.00 0.00 175.26 174.30 3hxz s MET 92 N -0.46 3.93 -0.45 1.61 -1.94 -0.04 -1.72 119.30 120.24 3hxz s MET 92 Ca 0.08 -0.35 -0.22 0.00 -1.71 0.00 0.00 55.69 53.49 3hxz s MET 92 Cb -0.12 -3.39 0.03 0.00 2.01 0.00 0.00 34.83 33.35 3hxz s MET 92 CO 0.02 0.05 0.74 -0.51 -0.01 0.00 0.00 175.02 175.31 3hxz s LEU 93 N 1.02 4.33 0.07 -0.03 1.43 0.66 -0.70 118.68 125.47 3hxz s LEU 93 Ca 0.06 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3hxz s LEU 93 Cb -0.14 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 3hxz s LEU 93 CO 0.04 -0.87 -0.22 -0.83 0.23 0.00 0.00 176.35 174.69 3hxz s GLY 94 N 2.09 1.24 0.11 -3.19 0.00 -0.20 -0.32 107.32 107.05 3hxz s GLY 94 Ca 0.28 -1.19 0.10 0.00 0.00 0.00 0.00 44.72 43.91 3hxz s GLY 94 CO 0.22 -1.14 -0.25 0.54 0.00 0.00 0.00 173.10 172.46 3hxz s ASN 95 N -1.53 3.07 -0.02 1.64 4.22 -1.24 -1.88 114.94 119.20 3hxz s ASN 95 Ca 0.08 -0.71 0.01 0.00 -2.14 0.00 0.00 52.86 50.11 3hxz s ASN 95 Cb -0.09 -0.21 0.01 0.00 1.28 0.00 0.00 41.25 42.24 3hxz s ASN 95 CO 0.03 0.16 -0.04 -0.36 -2.04 0.00 0.00 177.10 174.85 3hxz s PHE 96 N -1.04 0.48 -0.22 1.54 0.08 0.74 -1.89 117.98 117.67 3hxz s PHE 96 Ca 0.12 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.08 3hxz s PHE 96 Cb -0.10 -0.40 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 3hxz s PHE 96 CO 0.05 -0.07 -0.14 0.45 -0.10 0.00 0.00 175.22 175.40 3hxz s SER 97 N 0.37 3.75 -1.07 1.36 0.15 -0.49 -1.33 113.70 116.43 3hxz s SER 97 Ca -0.04 -0.89 -0.09 0.00 0.70 0.00 0.00 55.95 55.63 3hxz s SER 97 Cb -0.07 -1.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.96 3hxz s SER 97 CO -0.00 -0.08 1.05 -0.36 1.20 0.00 0.00 173.24 175.05 3hxz s PHE 98 N 1.25 4.20 -1.10 3.44 0.40 0.51 -1.31 117.98 125.38 3hxz s PHE 98 Ca 0.00 -2.64 -0.01 0.00 -0.60 0.00 0.00 56.93 53.68 3hxz s PHE 98 Cb -0.16 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.58 3hxz s PHE 98 CO -0.09 -0.94 0.07 0.41 0.70 0.00 0.00 175.22 175.37 3hxz n GLY 99 N 2.81 -0.15 0.00 4.36 0.00 -1.26 -4.84 105.19 106.11 3hxz n GLY 99 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hxz n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxz n ASP 100 N -0.58 0.00 -4.97 1.61 -0.08 -1.26 -5.08 116.55 106.19 3hxz n ASP 100 Ca -0.14 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.93 3hxz n ASP 100 Cb 0.61 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.09 3hxz n ASP 100 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hxz s TYR 101 N 0.74 3.01 0.00 -0.67 -0.85 -1.26 -5.12 117.35 113.20 3hxz s TYR 101 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 3hxz s TYR 101 Cb 0.00 -2.47 0.00 0.00 0.38 0.00 0.00 41.96 39.87 3hxz s TYR 101 CO 0.00 -0.54 0.00 0.34 -1.52 0.00 0.00 175.55 173.83 3hxz n PHE 102 N -2.11 0.00 0.26 -3.49 7.35 -1.26 -4.61 117.46 113.60 3hxz n PHE 102 Ca 0.05 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.58 3hxz n PHE 102 Cb 0.59 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.34 3hxz n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxz h LYS 103 N 0.00 -0.70 0.05 -4.13 1.57 -1.99 -1.68 116.57 109.69 3hxz h LYS 103 Ca 0.00 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hxz h LYS 103 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hxz h LYS 103 CO 0.00 -0.47 -0.03 1.25 -0.57 0.00 0.00 179.45 179.64 3hxz h LEU 104 N -0.73 -0.06 -1.00 2.94 5.85 -1.97 -2.17 115.31 118.17 3hxz h LEU 104 Ca -0.04 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3hxz h LEU 104 Cb 0.62 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3hxz h LEU 104 CO 0.02 -0.01 -0.45 0.44 -0.34 0.00 0.00 178.44 178.09 3hxz h ASP 105 N -0.10 0.10 -0.28 1.25 3.32 -1.96 -0.56 116.42 118.19 3hxz h ASP 105 Ca -0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hxz h ASP 105 Cb 0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hxz h ASP 105 CO 0.01 0.55 0.17 0.00 -1.72 0.00 0.00 179.24 178.25 3hxz h ALA 106 N 1.46 0.36 -0.51 3.45 0.00 -1.15 -1.06 119.26 121.81 3hxz h ALA 106 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3hxz h ALA 106 Cb 0.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hxz h ALA 106 CO 0.06 -0.13 -0.00 0.82 0.00 0.00 0.00 179.25 180.00 3hxz h ILE 107 N 0.36 1.26 -0.42 0.00 2.04 -1.13 -2.72 117.51 116.91 3hxz h ILE 107 Ca 0.10 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 3hxz h ILE 107 Cb 0.02 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3hxz h ILE 107 CO -0.02 0.39 0.13 -0.07 0.00 0.00 0.00 178.15 178.57 3hxz h LEU 108 N 0.77 0.62 -0.47 1.44 3.38 -0.99 -1.08 115.31 118.97 3hxz h LEU 108 Ca 0.14 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3hxz h LEU 108 Cb 0.53 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3hxz h LEU 108 CO 0.03 0.66 0.17 -0.26 0.09 0.00 0.00 178.44 179.13 3hxz h PHE 109 N 0.54 0.30 -0.21 1.13 0.05 -1.16 -0.05 116.94 117.53 3hxz h PHE 109 Ca 0.13 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.93 3hxz h PHE 109 Cb 0.27 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 3hxz h PHE 109 CO 0.01 0.10 0.04 0.00 -0.18 0.00 0.00 178.31 178.28 3hxz h ALA 110 N 1.31 0.28 -0.72 2.45 0.00 -1.28 -1.95 119.26 119.35 3hxz h ALA 110 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hxz h ALA 110 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hxz h ALA 110 CO -0.23 -0.05 0.32 2.35 0.00 0.00 0.00 179.25 181.64 3hxz h TRP 111 N 0.15 1.07 0.06 0.00 2.91 -1.04 -1.72 115.95 117.38 3hxz h TRP 111 Ca 0.06 -0.06 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 3hxz h TRP 111 Cb 0.31 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3hxz h TRP 111 CO 0.02 0.80 -0.03 1.25 -1.03 0.00 0.00 178.44 179.45 3hxz h LEU 112 N 1.02 -0.07 -0.63 0.65 5.85 -0.90 -0.03 115.31 121.20 3hxz h LEU 112 Ca 0.25 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3hxz h LEU 112 Cb 0.16 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3hxz h LEU 112 CO -0.03 0.03 0.40 0.25 -0.34 0.00 0.00 178.44 178.76 3hxz h LEU 113 N -0.17 0.68 -0.34 2.25 5.85 -1.28 -0.98 115.31 121.32 3hxz h LEU 113 Ca -0.01 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 3hxz h LEU 113 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3hxz h LEU 113 CO 0.01 0.48 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.18 3hxz h LEU 114 N 0.81 0.90 0.00 2.25 3.38 -1.16 -0.72 115.31 120.77 3hxz h LEU 114 Ca 0.24 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hxz h LEU 114 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3hxz h LEU 114 CO -0.08 1.18 -0.46 0.35 0.09 0.00 0.00 178.44 179.52 3hxz n THR 115 N -4.15 0.00 -2.13 0.22 -2.24 -0.04 -0.17 114.28 105.78 3hxz n THR 115 Ca -0.03 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 3hxz n THR 115 Cb 0.52 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3hxz n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxz s SER 116 N -1.73 6.79 0.61 3.42 0.15 -0.38 -4.28 113.70 118.28 3hxz s SER 116 Ca 0.01 2.60 0.31 0.00 0.70 0.00 0.00 55.95 59.58 3hxz s SER 116 Cb 0.04 -2.63 1.77 0.00 -1.71 0.00 0.00 66.02 63.48 3hxz s SER 116 CO 0.21 -0.56 2.11 1.05 1.20 0.00 0.00 173.24 177.25 3hxz h GLU 117 N 4.27 0.00 0.00 5.44 4.11 -1.93 -0.17 114.58 126.30 3hxz h GLU 117 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3hxz h GLU 117 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hxz h GLU 117 CO 0.71 0.00 -0.08 0.87 0.07 0.00 0.00 179.01 180.58 3hxz h LYS 118 N 0.00 0.00 0.00 1.06 1.57 -1.92 -3.45 116.57 113.83 3hxz h LYS 118 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hxz h LYS 118 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hxz h LYS 118 CO -0.00 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.79 3hxz n TRP 119 N -2.82 0.00 0.24 -1.35 7.02 -0.15 -4.99 117.44 115.39 3hxz n TRP 119 Ca 0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 3hxz n TRP 119 Cb 0.50 0.00 0.49 0.00 -2.42 0.00 0.00 31.31 29.88 3hxz n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxz h PHE 120 N 0.00 0.00 -6.28 -5.99 0.04 -1.19 -3.48 116.94 100.04 3hxz h PHE 120 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3hxz h PHE 120 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3hxz h PHE 120 CO 0.00 0.10 -0.78 0.00 -0.60 0.00 0.00 178.31 177.03 3hxz n ALA 121 N -2.14 -1.43 -1.77 2.45 0.00 -0.72 -4.90 120.51 111.99 3hxz n ALA 121 Ca 0.01 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 3hxz n ALA 121 Cb 0.41 -3.97 -0.03 0.00 0.00 0.00 0.00 19.45 15.86 3hxz n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxz s LEU 122 N -7.17 4.19 -0.11 0.00 1.43 0.77 -4.94 118.68 112.84 3hxz s LEU 122 Ca 0.54 2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 55.52 3hxz s LEU 122 Cb -0.27 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 3hxz s LEU 122 CO 0.83 -0.55 2.12 -2.65 0.23 0.00 0.00 176.35 176.33 3hxz n PRO 123 N 0.07 2.35 0.05 1.29 -0.02 -1.26 -4.61 135.00 132.85 3hxz n PRO 123 Ca 0.04 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 3hxz n PRO 123 Cb 0.48 -3.13 0.56 0.00 -0.02 0.00 0.00 33.50 31.39 3hxz n PRO 123 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hxz h LYS 124 N 13.11 0.23 0.00 -0.52 1.57 -1.92 -2.16 116.57 126.89 3hxz h LYS 124 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hxz h LYS 124 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hxz h LYS 124 CO 0.95 0.15 0.00 1.05 -0.57 0.00 0.00 179.45 181.03 3hxz h GLU 125 N 0.24 0.00 -0.18 3.15 9.09 -2.03 -2.42 114.58 122.43 3hxz h GLU 125 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 3hxz h GLU 125 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3hxz h GLU 125 CO -0.03 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.57 3hxz n ARG 126 N -2.49 2.15 -3.84 1.06 1.74 -0.81 -4.90 116.66 109.58 3hxz n ARG 126 Ca 0.02 -1.71 -0.35 0.00 -0.77 0.00 0.00 57.85 55.04 3hxz n ARG 126 Cb 0.25 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 3hxz n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxz s LEU 127 N -1.74 4.07 0.18 0.55 1.43 -0.91 -0.89 118.68 121.36 3hxz s LEU 127 Ca 0.34 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3hxz s LEU 127 Cb 0.21 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3hxz s LEU 127 CO 0.30 0.18 -0.22 0.26 0.23 0.00 0.00 176.35 177.10 3hxz s TRP 128 N 0.33 2.36 0.05 0.29 0.52 -0.05 -4.97 118.94 117.47 3hxz s TRP 128 Ca 0.06 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.89 3hxz s TRP 128 Cb -0.11 -1.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 3hxz s TRP 128 CO -0.01 0.47 -0.14 0.14 0.02 0.00 0.00 176.95 177.43 3hxz s VAL 129 N -1.54 1.09 0.08 4.03 -7.23 -0.57 -0.00 120.40 116.26 3hxz s VAL 129 Ca 0.20 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 3hxz s VAL 129 Cb -0.09 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3hxz s VAL 129 CO 0.10 -0.09 -0.18 0.42 -0.31 0.00 0.00 175.10 175.03 3hxz s THR 130 N -1.02 2.82 0.14 5.32 -4.23 -0.19 -0.87 115.64 117.61 3hxz s THR 130 Ca -0.00 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 3hxz s THR 130 Cb -0.09 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 3hxz s THR 130 CO 0.02 0.21 -0.10 0.68 -0.54 0.00 0.00 174.62 174.88 3hxz s VAL 131 N -1.04 1.18 0.23 2.29 -7.23 0.27 -1.91 120.40 114.19 3hxz s VAL 131 Ca 0.16 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 3hxz s VAL 131 Cb -0.11 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 3hxz s VAL 131 CO 0.08 -0.72 1.39 -0.47 -0.31 0.00 0.00 175.10 175.07 3hxz s TYR 132 N -3.21 3.12 0.29 2.82 5.04 -1.23 -0.51 117.35 123.68 3hxz s TYR 132 Ca 0.16 1.10 0.05 0.00 -2.44 0.00 0.00 57.07 55.94 3hxz s TYR 132 Cb 0.02 -3.73 0.75 0.00 0.35 0.00 0.00 41.96 39.35 3hxz s TYR 132 CO 0.01 -2.34 1.71 1.49 -1.34 0.00 0.00 175.55 175.08 3hxz h GLU 133 N 5.21 0.46 -0.00 4.97 4.81 -1.32 0.23 114.58 128.93 3hxz h GLU 133 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hxz h GLU 133 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3hxz h GLU 133 CO 0.78 0.30 -0.08 -1.13 -0.73 0.00 0.00 179.01 178.15 3hxz n SER 134 N -4.99 0.47 -4.26 1.04 3.41 -1.26 -4.57 113.62 103.46 3hxz n SER 134 Ca 0.23 -0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 3hxz n SER 134 Cb 0.65 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3hxz n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxz n ASP 135 N -0.89 4.95 0.12 4.04 -0.08 0.80 -4.76 116.55 120.74 3hxz n ASP 135 Ca 0.16 -2.98 0.02 0.00 -1.51 0.00 0.00 54.79 50.48 3hxz n ASP 135 Cb 0.26 -1.61 0.37 0.00 2.34 0.00 0.00 41.12 42.48 3hxz n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxz h ASP 136 N 6.78 0.21 -0.25 1.67 3.32 -1.82 -2.54 116.42 123.78 3hxz h ASP 136 Ca 0.40 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3hxz h ASP 136 Cb 0.79 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3hxz h ASP 136 CO 1.47 0.41 0.08 -0.33 -1.72 0.00 0.00 179.24 179.15 3hxz h GLU 137 N 0.20 0.39 -0.66 3.56 5.08 -1.97 -1.22 114.58 119.97 3hxz h GLU 137 Ca 0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3hxz h GLU 137 Cb 0.46 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3hxz h GLU 137 CO 0.03 0.46 0.27 0.00 -1.00 0.00 0.00 179.01 178.78 3hxz h ALA 138 N 0.91 0.85 -0.21 3.43 0.00 -1.93 -1.59 119.26 120.72 3hxz h ALA 138 Ca 0.08 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hxz h ALA 138 Cb 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hxz h ALA 138 CO -0.00 0.46 -0.02 -0.92 0.00 0.00 0.00 179.25 178.77 3hxz h TYR 139 N 0.93 -0.05 -0.81 0.00 3.20 -1.31 -2.18 116.97 116.74 3hxz h TYR 139 Ca 0.22 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3hxz h TYR 139 Cb 0.19 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3hxz h TYR 139 CO 0.01 -0.06 0.54 1.49 -1.64 0.00 0.00 178.16 178.50 3hxz h GLU 140 N 0.04 1.05 -0.03 1.82 4.22 -1.01 -1.41 114.58 119.26 3hxz h GLU 140 Ca 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3hxz h GLU 140 Cb 0.14 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3hxz h GLU 140 CO -0.19 0.70 0.02 0.82 -2.18 0.00 0.00 179.01 178.18 3hxz h ILE 141 N 1.08 1.01 -0.53 2.32 2.04 -1.02 0.33 117.51 122.73 3hxz h ILE 141 Ca 0.30 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 3hxz h ILE 141 Cb -0.10 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3hxz h ILE 141 CO -0.07 0.01 0.25 -0.50 0.00 0.00 0.00 178.15 177.84 3hxz h TRP 142 N 0.04 0.77 0.06 1.37 4.06 -1.24 0.17 115.95 121.19 3hxz h TRP 142 Ca 0.01 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3hxz h TRP 142 Cb -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 27.92 3hxz h TRP 142 CO -0.08 0.60 -0.03 1.49 -3.56 0.00 0.00 178.44 176.87 3hxz h GLU 143 N 0.71 -0.07 0.00 0.49 4.81 -1.06 -0.33 114.58 119.13 3hxz h GLU 143 Ca 0.18 0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 59.04 3hxz h GLU 143 Cb 0.13 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3hxz h GLU 143 CO -0.02 0.42 -2.42 1.63 -0.73 0.00 0.00 179.01 177.89 3hxz n LYS 144 N -4.88 0.67 0.01 1.92 5.02 0.11 -3.09 118.16 117.93 3hxz n LYS 144 Ca -0.09 0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 3hxz n LYS 144 Cb 0.27 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3hxz n LYS 144 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hxz h GLU 145 N 0.00 0.24 0.08 1.97 4.39 -1.20 -3.39 114.58 116.67 3hxz h GLU 145 Ca -0.56 -0.40 -0.24 0.00 0.34 0.00 0.00 59.36 58.50 3hxz h GLU 145 Cb 2.06 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.85 3hxz h GLU 145 CO -0.03 1.19 -1.27 0.28 -1.16 0.00 0.00 179.01 178.03 3hxz h VAL 146 N -0.42 1.06 -0.02 3.13 2.07 -1.09 -3.50 116.25 117.49 3hxz h VAL 146 Ca -0.22 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3hxz h VAL 146 Cb 1.63 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 3hxz h VAL 146 CO 0.08 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.90 3hxz n GLY 147 N 1.67 1.60 3.71 2.17 0.00 -0.28 -5.03 105.19 109.04 3hxz n GLY 147 Ca -0.25 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3hxz n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxz s ILE 148 N -2.02 3.61 0.33 -0.61 -1.09 -0.34 -4.98 121.20 116.10 3hxz s ILE 148 Ca 0.00 1.12 -0.28 0.00 -2.23 0.00 0.00 60.65 59.26 3hxz s ILE 148 Cb 0.00 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 37.04 3hxz s ILE 148 CO 0.00 0.06 1.29 -2.65 -1.23 0.00 0.00 174.94 172.41 3hxz n PRO 149 N 4.38 2.09 -0.00 2.79 -0.02 -1.26 -4.45 135.00 138.52 3hxz n PRO 149 Ca 0.11 0.73 0.18 0.00 -2.02 0.00 0.00 63.50 62.50 3hxz n PRO 149 Cb 0.44 -2.31 0.64 0.00 -0.02 0.00 0.00 33.50 32.25 3hxz n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxz h ARG 150 N 2.69 0.09 0.00 -0.52 3.08 -1.93 -0.82 114.38 116.96 3hxz h ARG 150 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hxz h ARG 150 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3hxz h ARG 150 CO 0.64 0.06 0.00 1.05 -1.07 0.00 0.00 179.97 180.65 3hxz h GLU 151 N 0.09 0.00 -0.30 0.04 9.09 -2.03 -1.97 114.58 119.50 3hxz h GLU 151 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.65 3hxz h GLU 151 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 3hxz h GLU 151 CO -0.02 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.58 3hxz n ARG 152 N -2.29 2.90 -3.80 1.06 1.74 -0.32 -4.88 116.66 111.07 3hxz n ARG 152 Ca 0.01 -2.42 -0.37 0.00 -0.77 0.00 0.00 57.85 54.30 3hxz n ARG 152 Cb 0.17 -1.54 -0.13 0.00 -1.02 0.00 0.00 32.46 29.94 3hxz n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxz s ILE 153 N -1.88 3.77 -0.15 0.55 1.01 -0.74 -1.51 121.20 122.24 3hxz s ILE 153 Ca 0.32 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3hxz s ILE 153 Cb 0.22 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hxz s ILE 153 CO 0.12 0.09 -0.12 -0.63 0.00 0.00 0.00 174.94 174.40 3hxz s ILE 154 N 1.46 3.06 -0.15 2.92 1.01 -0.05 -4.99 121.20 124.47 3hxz s ILE 154 Ca 0.02 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 3hxz s ILE 154 Cb -0.17 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3hxz s ILE 154 CO 0.01 0.51 0.52 -0.13 0.00 0.00 0.00 174.94 175.85 3hxz s ARG 155 N 0.60 4.29 -0.13 2.79 0.52 -1.26 -0.57 118.95 125.19 3hxz s ARG 155 Ca -0.07 0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 3hxz s ARG 155 Cb -0.15 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3hxz s ARG 155 CO 0.03 0.01 -0.21 0.42 0.02 0.00 0.00 175.30 175.58 3hxz s ILE 156 N 1.08 2.25 0.00 1.52 -1.09 0.34 -4.81 121.20 120.49 3hxz s ILE 156 Ca 0.27 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3hxz s ILE 156 Cb -0.15 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 3hxz s ILE 156 CO 0.11 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 3hxz n GLY 157 N 3.89 1.30 2.99 6.18 0.00 -1.26 -0.87 105.19 117.41 3hxz n GLY 157 Ca -0.19 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3hxz n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxz n ASP 158 N 0.00 4.19 0.00 1.61 8.00 -1.26 -4.53 116.55 124.56 3hxz n ASP 158 Ca 0.00 -2.86 0.14 0.00 0.71 0.00 0.00 54.79 52.77 3hxz n ASP 158 Cb 0.00 -1.69 0.78 0.00 -0.02 0.00 0.00 41.12 40.20 3hxz n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxz n ASN 159 N 6.79 0.00 -1.32 -2.24 6.94 -1.16 -2.97 115.26 121.30 3hxz n ASN 159 Ca 0.51 -0.69 0.12 0.00 -0.02 0.00 0.00 54.58 54.50 3hxz n ASN 159 Cb 0.41 -0.07 0.31 0.00 -2.36 0.00 0.00 39.78 38.08 3hxz n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxz n LYS 160 N -1.07 2.66 -0.45 -3.83 5.02 -0.68 -4.95 118.16 114.86 3hxz n LYS 160 Ca 0.19 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 3hxz n LYS 160 Cb 0.12 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3hxz n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hxz n GLY 161 N 1.64 0.76 3.26 0.72 0.00 -1.16 -4.96 105.19 105.45 3hxz n GLY 161 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 3hxz n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz s ALA 162 N -2.26 -0.59 0.12 4.61 0.00 -1.26 -5.07 121.76 117.32 3hxz s ALA 162 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 51.96 51.38 3hxz s ALA 162 Cb 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 23.12 23.51 3hxz s ALA 162 CO 0.00 -0.53 1.70 -2.30 0.00 0.00 0.00 175.76 174.63 3hxz n PRO 163 N 0.05 2.40 -0.83 0.00 -0.02 -1.26 -0.92 135.00 134.41 3hxz n PRO 163 Ca -0.16 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3hxz n PRO 163 Cb 0.62 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3hxz n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxz n TYR 164 N 4.47 0.00 -3.03 6.00 4.01 -1.26 -4.95 117.16 122.39 3hxz n TYR 164 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 3hxz n TYR 164 Cb 0.32 -0.90 -0.04 0.00 -0.31 0.00 0.00 39.34 38.40 3hxz n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxz s ALA 165 N -2.05 3.33 -0.04 -0.72 0.00 -0.10 -4.77 121.76 117.42 3hxz s ALA 165 Ca 0.00 -2.15 -0.28 0.00 0.00 0.00 0.00 51.96 49.53 3hxz s ALA 165 Cb 0.00 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.53 3hxz s ALA 165 CO 0.00 -2.50 0.62 0.45 0.00 0.00 0.00 175.76 174.32 3hxz s SER 166 N 3.63 -0.58 0.28 0.00 0.15 -1.26 -1.69 113.70 114.23 3hxz s SER 166 Ca 0.15 0.59 0.23 0.00 0.70 0.00 0.00 55.95 57.63 3hxz s SER 166 Cb -0.21 0.50 1.04 0.00 -1.71 0.00 0.00 66.02 65.64 3hxz s SER 166 CO 0.07 -0.59 1.71 0.47 1.20 0.00 0.00 173.24 176.09 3hxz n ASP 167 N 0.93 0.67 -0.73 5.45 8.00 -1.26 -2.73 116.55 126.88 3hxz n ASP 167 Ca -0.19 0.69 0.05 0.00 0.71 0.00 0.00 54.79 56.05 3hxz n ASP 167 Cb 0.57 -0.82 0.21 0.00 -0.02 0.00 0.00 41.12 41.05 3hxz n ASP 167 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hxz n ASN 168 N -2.27 2.80 -3.70 -2.24 4.13 -1.26 -4.81 115.26 107.90 3hxz n ASN 168 Ca 0.01 -3.38 -0.27 0.00 1.68 0.00 0.00 54.58 52.63 3hxz n ASN 168 Cb 0.19 -0.54 -0.17 0.00 -1.54 0.00 0.00 39.78 37.72 3hxz n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxz s PHE 169 N -3.02 0.78 -0.11 3.10 5.36 -1.10 -1.10 117.98 121.88 3hxz s PHE 169 Ca 0.40 -0.67 -0.12 0.00 -0.96 0.00 0.00 56.93 55.57 3hxz s PHE 169 Cb 0.35 -0.92 -0.05 0.00 -0.34 0.00 0.00 43.02 42.06 3hxz s PHE 169 CO 0.03 -0.57 0.28 -0.46 -1.46 0.00 0.00 175.22 173.04 3hxz s TRP 170 N 1.94 3.55 -0.04 10.12 -0.00 -0.38 -4.43 118.94 129.70 3hxz s TRP 170 Ca 0.00 0.67 0.05 0.00 -0.00 0.00 0.00 56.10 56.82 3hxz s TRP 170 Cb -0.16 -2.24 -0.00 0.00 -0.00 0.00 0.00 33.47 31.06 3hxz s TRP 170 CO -0.08 0.44 -0.18 -0.65 -0.00 0.00 0.00 176.95 176.48 3hxz s GLN 171 N -0.21 1.81 0.20 5.86 -0.21 -1.26 -2.24 119.66 123.60 3hxz s GLN 171 Ca 0.18 -0.63 -0.08 0.00 0.02 0.00 0.00 55.36 54.85 3hxz s GLN 171 Cb -0.14 -1.58 0.11 0.00 1.00 0.00 0.00 33.01 32.41 3hxz s GLN 171 CO 0.06 0.27 1.67 1.98 -2.12 0.00 0.00 175.29 177.14 3hxz h MET 172 N 6.19 1.05 0.00 2.91 1.85 -1.82 -3.48 114.93 121.63 3hxz h MET 172 Ca -0.33 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 58.45 3hxz h MET 172 Cb 1.17 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.10 3hxz h MET 172 CO 0.48 1.01 0.00 0.41 -0.40 0.00 0.00 176.91 178.41 3hxz n GLY 173 N -0.48 1.75 0.31 1.39 0.00 -1.26 -4.83 105.19 102.07 3hxz n GLY 173 Ca 0.03 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.40 3hxz n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxz h ASP 174 N 0.00 0.28 -2.99 1.61 3.45 -1.95 -3.42 116.42 113.40 3hxz h ASP 174 Ca 0.00 -0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.97 3hxz h ASP 174 Cb 0.00 -0.06 -0.14 0.00 -0.56 0.00 0.00 39.33 38.57 3hxz h ASP 174 CO 0.00 0.19 -0.72 0.42 -1.57 0.00 0.00 179.24 177.56 3hxz s THR 175 N -5.31 1.83 0.00 0.35 -4.23 -1.26 -4.40 115.64 102.61 3hxz s THR 175 Ca -0.07 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 3hxz s THR 175 Cb 0.18 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3hxz s THR 175 CO 0.72 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3hxz n GLY 176 N -0.47 1.76 3.66 3.99 0.00 -0.98 -4.68 105.19 108.48 3hxz n GLY 176 Ca -0.07 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 3hxz n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hxz n PRO 177 N -0.69 1.88 -3.87 1.61 -0.02 -1.26 -1.33 135.00 131.32 3hxz n PRO 177 Ca 0.00 0.66 -0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3hxz n PRO 177 Cb 0.00 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 3hxz n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxz n GLY 179 N -0.47 0.44 3.74 0.00 0.00 -0.95 -0.99 105.19 106.96 3hxz n GLY 179 Ca -0.05 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 3hxz n GLY 179 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hxz s PRO 180 N -2.00 2.75 0.11 1.61 0.02 -1.24 -1.24 135.00 135.01 3hxz s PRO 180 Ca 0.00 1.94 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 3hxz s PRO 180 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3hxz s PRO 180 CO 0.00 -1.41 0.03 0.00 -0.33 0.00 0.00 177.00 175.29 3hxz s THR 182 N -3.99 1.27 0.06 0.00 -1.32 -0.10 -3.51 115.64 108.06 3hxz s THR 182 Ca 0.19 -0.64 0.10 0.00 -1.21 0.00 0.00 61.69 60.12 3hxz s THR 182 Cb 0.08 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 3hxz s THR 182 CO -0.02 0.37 -0.26 -1.61 -2.21 0.00 0.00 174.62 170.89 3hxz s GLU 183 N -0.03 1.72 -0.18 7.08 2.02 -0.80 -0.66 118.70 127.84 3hxz s GLU 183 Ca -0.01 -1.15 -0.04 0.00 0.02 0.00 0.00 54.97 53.78 3hxz s GLU 183 Cb -0.10 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 3hxz s GLU 183 CO 0.01 0.50 -0.02 0.42 0.02 0.00 0.00 175.26 176.20 3hxz s ILE 184 N -0.85 3.91 0.03 -1.63 1.01 0.31 -1.03 121.20 122.95 3hxz s ILE 184 Ca 0.12 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.48 3hxz s ILE 184 Cb -0.10 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3hxz s ILE 184 CO 0.03 0.45 -0.11 -0.36 0.00 0.00 0.00 174.94 174.95 3hxz s PHE 185 N 0.78 2.75 -0.15 3.97 0.40 0.99 -0.64 117.98 126.08 3hxz s PHE 185 Ca -0.00 -0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 3hxz s PHE 185 Cb -0.14 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 3hxz s PHE 185 CO 0.02 0.33 -0.12 -0.47 0.70 0.00 0.00 175.22 175.68 3hxz s TYR 186 N -0.99 2.83 -0.43 0.36 5.04 -0.15 -0.87 117.35 123.14 3hxz s TYR 186 Ca 0.17 -0.76 -0.27 0.00 -2.44 0.00 0.00 57.07 53.77 3hxz s TYR 186 Cb -0.11 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.33 3hxz s TYR 186 CO 0.07 -0.31 0.99 0.34 -1.34 0.00 0.00 175.55 175.30 3hxz s ASP 187 N 0.61 6.61 0.27 4.32 2.15 -0.07 -1.24 116.67 129.32 3hxz s ASP 187 Ca -0.07 0.39 0.26 0.00 0.43 0.00 0.00 52.55 53.55 3hxz s ASP 187 Cb -0.15 -2.49 0.85 0.00 -0.30 0.00 0.00 42.92 40.83 3hxz s ASP 187 CO 0.03 -1.04 1.75 0.45 -0.17 0.00 0.00 175.17 176.19 3hxz h HIS 188 N 8.90 0.00 0.00 -5.34 3.86 -1.21 -3.48 115.15 117.88 3hxz h HIS 188 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3hxz h HIS 188 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3hxz h HIS 188 CO 0.89 0.00 0.00 0.41 0.86 0.00 0.00 177.93 180.09 3hxz n GLY 189 N 0.81 2.51 0.00 2.45 0.00 -1.26 -4.81 105.19 104.89 3hxz n GLY 189 Ca 0.04 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.05 3hxz n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxz n ASP 190 N 0.00 0.00 0.07 1.61 5.68 -1.26 -1.81 116.55 120.84 3hxz n ASP 190 Ca 0.00 0.15 0.12 0.00 -0.50 0.00 0.00 54.79 54.55 3hxz n ASP 190 Cb 0.00 -0.32 0.46 0.00 -1.14 0.00 0.00 41.12 40.12 3hxz n ASP 190 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hxz n HIS 191 N -1.32 0.53 -4.81 2.11 8.25 -1.26 -4.72 115.22 114.01 3hxz n HIS 191 Ca 0.06 0.18 -0.33 0.00 -0.26 0.00 0.00 57.72 57.37 3hxz n HIS 191 Cb 0.12 -0.79 -0.13 0.00 1.12 0.00 0.00 29.99 30.30 3hxz n HIS 191 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hxz s ILE 192 N -3.13 3.14 0.36 1.59 -1.09 -0.75 -5.11 121.20 116.21 3hxz s ILE 192 Ca 0.09 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.57 3hxz s ILE 192 Cb 0.12 -2.27 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 3hxz s ILE 192 CO 0.46 0.56 1.19 0.86 -1.23 0.00 0.00 174.94 176.78 3hxz s TRP 193 N -0.25 3.17 0.00 3.97 -0.00 -1.26 -4.68 118.94 119.89 3hxz s TRP 193 Ca 0.02 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.67 3hxz s TRP 193 Cb -0.13 -3.43 0.00 0.00 -0.00 0.00 0.00 33.47 29.91 3hxz s TRP 193 CO 0.03 -1.28 0.00 0.41 -0.00 0.00 0.00 176.95 176.11 3hxz n GLY 194 N 0.78 4.42 3.71 5.86 0.00 -1.26 -2.85 105.19 115.84 3hxz n GLY 194 Ca 0.02 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 3hxz n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxz s GLY 195 N 0.00 2.47 0.90 -0.02 0.00 0.12 -4.82 107.32 105.97 3hxz s GLY 195 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 44.72 42.64 3hxz s GLY 195 CO 0.00 -2.01 1.10 2.56 0.00 0.00 0.00 173.10 174.75 3hxz s PRO 196 N -3.86 1.23 0.40 2.90 0.04 -1.26 -3.86 135.00 130.60 3hxz s PRO 196 Ca 0.35 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 3hxz s PRO 196 Cb 0.05 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 3hxz s PRO 196 CO 0.19 -2.33 1.28 -0.35 0.04 0.00 0.00 177.00 175.84 3hxz n PRO 197 N -3.97 2.01 0.00 0.56 -0.04 -1.26 -1.84 135.00 130.46 3hxz n PRO 197 Ca 0.08 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 3hxz n PRO 197 Cb 0.54 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3hxz n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hxz n GLY 198 N 0.79 3.23 3.92 0.55 0.00 -1.26 -5.00 105.19 107.41 3hxz n GLY 198 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3hxz n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxz s SER 199 N -1.06 5.70 0.52 1.61 1.04 -0.77 -4.98 113.70 115.76 3hxz s SER 199 Ca 0.00 0.75 0.19 0.00 0.48 0.00 0.00 55.95 57.37 3hxz s SER 199 Cb 0.00 -1.79 1.31 0.00 0.10 0.00 0.00 66.02 65.64 3hxz s SER 199 CO 0.00 -0.99 2.09 -0.65 0.98 0.00 0.00 173.24 174.67 3hxz h PRO 200 N -0.12 0.01 -0.67 4.02 0.11 -1.96 -2.39 132.00 131.01 3hxz h PRO 200 Ca -0.46 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 3hxz h PRO 200 Cb 1.25 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3hxz h PRO 200 CO 0.61 0.01 0.21 0.39 -0.21 0.00 0.00 178.00 179.01 3hxz n GLU 201 N -4.48 3.71 0.27 1.05 1.02 -1.26 -4.60 120.64 116.34 3hxz n GLU 201 Ca 0.02 -3.09 0.12 0.00 -0.02 0.00 0.00 57.16 54.19 3hxz n GLU 201 Cb 0.27 -2.18 0.78 0.00 -0.02 0.00 0.00 31.44 30.29 3hxz n GLU 201 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3hxz h GLU 202 N 2.67 0.00 0.00 3.49 4.11 -1.53 0.35 114.58 123.66 3hxz h GLU 202 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 3hxz h GLU 202 Cb 2.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.46 3hxz h GLU 202 CO 0.67 0.06 0.00 -3.47 0.07 0.00 0.00 179.01 176.34 3hxz n ASP 203 N -3.91 0.00 -4.69 3.06 2.03 -1.26 -4.77 116.55 107.02 3hxz n ASP 203 Ca -0.03 -0.09 -0.30 0.00 0.52 0.00 0.00 54.79 54.90 3hxz n ASP 203 Cb 0.15 -0.27 0.16 0.00 -0.72 0.00 0.00 41.12 40.44 3hxz n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hxz s GLY 204 N -2.54 1.61 0.00 0.27 0.00 -0.91 -4.95 107.32 100.80 3hxz s GLY 204 Ca 0.23 -0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.99 3hxz s GLY 204 CO 0.35 0.46 1.27 1.22 0.00 0.00 0.00 173.10 176.40 3hxz n ASP 205 N -4.05 1.65 0.05 1.64 8.00 -1.18 -4.33 116.55 118.32 3hxz n ASP 205 Ca 0.07 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 3hxz n ASP 205 Cb 0.55 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 3hxz n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxz h ARG 206 N 1.84 -0.21 -4.61 -1.24 2.43 -1.80 -3.41 114.38 107.39 3hxz h ARG 206 Ca 0.00 0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.47 3hxz h ARG 206 Cb 0.42 0.05 -0.20 0.00 -0.42 0.00 0.00 29.97 29.81 3hxz h ARG 206 CO 0.00 0.14 0.14 0.71 -1.51 0.00 0.00 179.97 179.45 3hxz s TYR 207 N -2.88 3.07 -0.12 2.20 2.02 -1.26 -0.67 117.35 119.72 3hxz s TYR 207 Ca -0.10 -1.08 -0.18 0.00 -0.37 0.00 0.00 57.07 55.34 3hxz s TYR 207 Cb 0.00 -4.01 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 3hxz s TYR 207 CO 0.35 -1.27 0.47 0.42 -1.57 0.00 0.00 175.55 173.94 3hxz s ILE 208 N 2.44 5.20 -0.33 2.71 -1.09 -0.37 -4.83 121.20 124.93 3hxz s ILE 208 Ca 0.13 0.93 -0.28 0.00 -2.23 0.00 0.00 60.65 59.19 3hxz s ILE 208 Cb -0.22 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3hxz s ILE 208 CO 0.04 0.33 1.74 -0.70 -1.23 0.00 0.00 174.94 175.11 3hxz s GLU 209 N 0.63 3.41 -0.25 2.79 2.12 -1.26 -0.98 118.70 125.16 3hxz s GLU 209 Ca 0.25 1.39 0.01 0.00 0.36 0.00 0.00 54.97 56.99 3hxz s GLU 209 Cb -0.15 -4.16 -0.16 0.00 0.26 0.00 0.00 34.13 29.92 3hxz s GLU 209 CO 0.10 -1.77 -0.22 0.44 -0.54 0.00 0.00 175.26 173.27 3hxz n ILE 210 N 7.31 1.42 -3.77 -3.70 -5.35 0.18 -4.84 119.36 110.61 3hxz n ILE 210 Ca 0.22 -0.54 -0.21 0.00 -0.27 0.00 0.00 62.75 61.96 3hxz n ILE 210 Cb 0.47 -1.39 -0.17 0.00 -1.74 0.00 0.00 39.64 36.80 3hxz n ILE 210 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3hxz s TRP 211 N -2.49 0.38 -0.19 4.28 -0.11 -1.08 -1.93 118.94 117.80 3hxz s TRP 211 Ca -0.33 0.02 -0.07 0.00 1.22 0.00 0.00 56.10 56.94 3hxz s TRP 211 Cb 0.09 -0.61 -0.04 0.00 -1.50 0.00 0.00 33.47 31.41 3hxz s TRP 211 CO 0.57 -0.24 0.05 1.21 -4.62 0.00 0.00 176.95 173.91 3hxz s ASN 212 N 1.85 5.37 -0.29 5.86 2.47 -0.28 -0.53 114.94 129.39 3hxz s ASN 212 Ca 0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 52.86 53.28 3hxz s ASN 212 Cb -0.12 -1.92 0.05 0.00 -1.45 0.00 0.00 41.25 37.81 3hxz s ASN 212 CO -0.04 0.13 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.82 3hxz s ILE 213 N 0.64 2.76 -0.20 -5.21 1.01 0.17 -0.87 121.20 119.48 3hxz s ILE 213 Ca 0.02 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 3hxz s ILE 213 Cb -0.13 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 3hxz s ILE 213 CO 0.02 -0.11 0.18 -0.69 0.00 0.00 0.00 174.94 174.34 3hxz s VAL 214 N 1.20 5.37 -0.88 2.92 1.01 0.21 -0.92 120.40 129.31 3hxz s VAL 214 Ca -0.06 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3hxz s VAL 214 Cb -0.20 -3.52 0.18 0.00 0.00 0.00 0.00 36.38 32.84 3hxz s VAL 214 CO -0.02 0.41 0.95 -0.36 0.00 0.00 0.00 175.10 176.07 3hxz s PHE 215 N 0.55 3.46 0.04 5.22 0.08 0.21 -1.07 117.98 126.48 3hxz s PHE 215 Ca 0.10 -1.72 -0.30 0.00 0.12 0.00 0.00 56.93 55.13 3hxz s PHE 215 Cb -0.12 -4.04 -0.08 0.00 -0.57 0.00 0.00 43.02 38.20 3hxz s PHE 215 CO 0.01 -1.23 1.81 -1.64 -0.10 0.00 0.00 175.22 174.07 3hxz s MET 216 N 1.35 4.16 0.00 0.44 -1.94 0.22 -3.66 119.30 119.87 3hxz s MET 216 Ca 0.25 2.46 0.00 0.00 -1.71 0.00 0.00 55.69 56.70 3hxz s MET 216 Cb -0.07 -3.90 0.00 0.00 2.01 0.00 0.00 34.83 32.86 3hxz s MET 216 CO -0.09 -0.87 0.00 1.04 -0.01 0.00 0.00 175.02 175.09 3hxz n GLN 217 N 6.70 1.89 -4.25 2.03 1.13 -0.16 -1.77 117.38 122.96 3hxz n GLN 217 Ca 0.18 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.10 3hxz n GLN 217 Cb 0.41 -0.69 -0.10 0.00 0.11 0.00 0.00 30.24 29.97 3hxz n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hxz s PHE 218 N -1.26 1.24 -0.30 1.08 0.08 -0.44 -0.69 117.98 117.69 3hxz s PHE 218 Ca 0.00 -0.79 -0.04 0.00 0.12 0.00 0.00 56.93 56.22 3hxz s PHE 218 Cb 0.00 -0.65 0.04 0.00 -0.57 0.00 0.00 43.02 41.84 3hxz s PHE 218 CO 0.00 0.04 0.03 1.21 -0.10 0.00 0.00 175.22 176.40 3hxz s ASN 219 N -3.16 4.96 0.28 1.36 2.47 0.47 -0.42 114.94 120.90 3hxz s ASN 219 Ca 0.17 -1.08 -0.29 0.00 0.42 0.00 0.00 52.86 52.07 3hxz s ASN 219 Cb 0.03 -1.78 -0.10 0.00 -1.45 0.00 0.00 41.25 37.96 3hxz s ASN 219 CO 0.01 -0.25 1.09 -0.60 -3.72 0.00 0.00 177.10 173.62 3hxz s ARG 220 N 1.35 4.65 0.34 0.43 3.52 -0.44 -1.91 118.95 126.90 3hxz s ARG 220 Ca -0.02 1.78 0.07 0.00 -0.13 0.00 0.00 55.73 57.42 3hxz s ARG 220 Cb -0.19 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3hxz s ARG 220 CO 0.00 0.23 0.45 -0.65 -0.81 0.00 0.00 175.30 174.53 3hxz s GLN 221 N -1.44 3.03 0.43 5.12 -1.52 -0.33 -2.31 119.66 122.64 3hxz s GLN 221 Ca 0.44 -1.08 0.10 0.00 -1.95 0.00 0.00 55.36 52.87 3hxz s GLN 221 Cb -0.31 -2.76 0.94 0.00 -0.22 0.00 0.00 33.01 30.65 3hxz s GLN 221 CO 0.40 0.03 2.04 0.00 -0.25 0.00 0.00 175.29 177.51 3hxz h ALA 222 N 0.92 1.72 0.00 6.09 0.00 -1.89 -1.08 119.26 125.02 3hxz h ALA 222 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hxz h ALA 222 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hxz h ALA 222 CO 0.53 0.23 0.00 0.38 0.00 0.00 0.00 179.25 180.39 3hxz h ASP 223 N 0.32 0.00 0.00 0.00 -0.00 -1.95 -3.47 116.42 111.32 3hxz h ASP 223 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3hxz h ASP 223 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3hxz h ASP 223 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.84 3hxz n GLY 224 N 0.83 0.77 3.78 7.15 0.00 -0.41 -5.10 105.19 112.21 3hxz n GLY 224 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3hxz n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxz s THR 225 N -2.00 3.42 -0.30 2.61 -4.23 -1.26 -4.71 115.64 109.17 3hxz s THR 225 Ca 0.00 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 3hxz s THR 225 Cb 0.00 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.52 3hxz s THR 225 CO 0.00 -0.22 0.08 -0.04 -0.54 0.00 0.00 174.62 173.89 3hxz s MET 226 N -3.39 3.05 -0.19 3.99 -1.94 -1.26 -1.19 119.30 118.37 3hxz s MET 226 Ca 0.70 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.72 3hxz s MET 226 Cb -0.21 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 3hxz s MET 226 CO 0.26 -0.46 0.08 -1.21 -0.01 0.00 0.00 175.02 173.69 3hxz s GLU 227 N 1.49 3.99 0.35 2.03 2.02 -0.80 -4.91 118.70 122.86 3hxz s GLU 227 Ca 0.02 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 3hxz s GLU 227 Cb -0.17 -3.28 -0.11 0.00 0.10 0.00 0.00 34.13 30.67 3hxz s GLU 227 CO 0.02 0.23 1.51 -2.14 0.02 0.00 0.00 175.26 174.90 3hxz s PRO 228 N 0.50 4.12 0.52 0.39 0.02 -1.26 0.18 135.00 139.48 3hxz s PRO 228 Ca 0.04 2.56 -0.19 0.00 0.02 0.00 0.00 61.00 63.43 3hxz s PRO 228 Cb -0.12 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.34 3hxz s PRO 228 CO 0.01 -0.55 1.05 -0.51 -0.33 0.00 0.00 177.00 176.67 3hxz s LEU 229 N -1.56 3.73 0.27 -5.54 1.43 0.14 -4.71 118.68 112.44 3hxz s LEU 229 Ca 0.56 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.57 3hxz s LEU 229 Cb -0.47 -4.55 0.49 0.00 0.03 0.00 0.00 46.19 41.69 3hxz s LEU 229 CO 0.58 -0.94 1.83 -0.65 0.23 0.00 0.00 176.35 177.40 3hxz h PRO 230 N 1.19 0.91 -3.79 1.29 0.11 -1.83 -3.40 132.00 126.48 3hxz h PRO 230 Ca -0.49 -0.05 -0.42 0.00 0.11 0.00 0.00 66.00 65.15 3hxz h PRO 230 Cb 1.22 -0.21 -0.37 0.00 0.11 0.00 0.00 31.00 31.76 3hxz h PRO 230 CO 0.58 0.60 -0.77 0.15 -0.21 0.00 0.00 178.00 178.36 3hxz s LYS 231 N -5.99 0.63 0.21 1.05 1.02 -1.26 -5.12 119.74 110.29 3hxz s LYS 231 Ca -0.12 0.05 -0.32 0.00 0.02 0.00 0.00 55.97 55.59 3hxz s LYS 231 Cb 0.21 -0.88 -0.14 0.00 -0.52 0.00 0.00 37.83 36.50 3hxz s LYS 231 CO 0.80 -0.22 1.48 -2.30 -0.92 0.00 0.00 175.35 174.19 3hxz n PRO 232 N 4.74 2.10 -4.25 -1.68 -0.02 -1.26 -4.70 135.00 129.93 3hxz n PRO 232 Ca -0.14 0.75 -0.16 0.00 -2.02 0.00 0.00 63.50 61.93 3hxz n PRO 232 Cb 0.50 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3hxz n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxz s SER 233 N 0.55 1.06 -0.07 2.55 0.01 -0.73 -4.10 113.70 112.97 3hxz s SER 233 Ca 0.73 -1.61 0.04 0.00 1.31 0.00 0.00 55.95 56.42 3hxz s SER 233 Cb -0.66 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 3hxz s SER 233 CO 0.45 -0.97 -0.21 -0.69 0.41 0.00 0.00 173.24 172.23 3hxz s VAL 234 N -3.74 1.76 -0.18 3.43 1.01 -0.43 -0.61 120.40 121.64 3hxz s VAL 234 Ca 0.40 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3hxz s VAL 234 Cb 0.04 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3hxz s VAL 234 CO 0.21 0.49 -0.03 -0.62 0.00 0.00 0.00 175.10 175.16 3hxz s ASP 235 N 0.23 3.03 0.28 3.32 2.15 -0.23 -1.39 116.67 124.05 3hxz s ASP 235 Ca -0.12 -0.79 0.11 0.00 0.43 0.00 0.00 52.55 52.18 3hxz s ASP 235 Cb -0.15 -0.88 -0.05 0.00 -0.30 0.00 0.00 42.92 41.53 3hxz s ASP 235 CO 0.05 -0.22 -0.19 0.42 -0.17 0.00 0.00 175.17 175.06 3hxz s THR 236 N 1.64 2.39 -0.29 1.71 -4.23 -0.79 0.63 115.64 116.70 3hxz s THR 236 Ca -0.01 -2.38 -0.11 0.00 -1.18 0.00 0.00 61.69 58.01 3hxz s THR 236 Cb -0.16 -2.30 0.12 0.00 1.34 0.00 0.00 72.50 71.49 3hxz s THR 236 CO -0.07 -0.40 0.65 0.00 -0.54 0.00 0.00 174.62 174.25 3hxz s ALA 237 N -2.56 -1.97 -0.15 3.99 0.00 -0.05 -3.64 121.76 117.37 3hxz s ALA 237 Ca 0.29 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.54 3hxz s ALA 237 Cb -0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3hxz s ALA 237 CO 0.14 -0.79 -0.01 1.41 0.00 0.00 0.00 175.76 176.51 3hxz s MET 238 N 2.58 3.66 -0.18 0.00 1.75 0.57 -1.13 119.30 126.55 3hxz s MET 238 Ca -0.07 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 53.61 3hxz s MET 238 Cb -0.10 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.57 3hxz s MET 238 CO -0.19 0.30 1.62 0.20 -0.65 0.00 0.00 175.02 176.30 3hxz s GLY 239 N 0.22 1.29 0.18 2.11 0.00 -0.81 -0.25 107.32 110.06 3hxz s GLY 239 Ca -0.01 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.15 3hxz s GLY 239 CO 0.02 3.00 1.78 -2.00 0.00 0.00 0.00 173.10 175.91 3hxz h LEU 240 N 11.36 0.36 -0.88 0.66 5.85 -1.69 -1.31 115.31 129.66 3hxz h LEU 240 Ca -0.35 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 3hxz h LEU 240 Cb 1.16 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3hxz h LEU 240 CO 0.99 0.25 0.15 -0.33 -0.34 0.00 0.00 178.44 179.16 3hxz h GLU 241 N 0.49 0.99 -0.17 1.25 3.07 -1.91 -0.12 114.58 118.17 3hxz h GLU 241 Ca 0.22 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3hxz h GLU 241 Cb 0.13 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3hxz h GLU 241 CO -0.15 0.88 -0.15 0.00 -1.40 0.00 0.00 179.01 178.18 3hxz h ARG 242 N 0.94 0.40 -0.04 2.33 3.08 -1.81 -1.94 114.38 117.34 3hxz h ARG 242 Ca 0.20 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hxz h ARG 242 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3hxz h ARG 242 CO 0.00 0.76 -0.47 0.97 -1.07 0.00 0.00 179.97 180.16 3hxz h ILE 243 N 0.05 1.34 -0.90 2.04 6.09 -1.19 -2.64 117.51 122.30 3hxz h ILE 243 Ca 0.03 -1.63 -0.02 0.00 -1.37 0.00 0.00 64.86 61.87 3hxz h ILE 243 Cb 0.68 1.83 -0.04 0.00 0.47 0.00 0.00 36.82 39.75 3hxz h ILE 243 CO 0.04 0.47 0.50 0.00 -3.07 0.00 0.00 178.15 176.09 3hxz h ALA 244 N 1.45 1.17 -0.44 0.18 0.00 -0.93 -0.08 119.26 120.60 3hxz h ALA 244 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hxz h ALA 244 Cb 0.86 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hxz h ALA 244 CO 0.07 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.21 3hxz h ALA 245 N 1.28 0.57 -0.01 0.00 0.00 -1.03 0.15 119.26 120.22 3hxz h ALA 245 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hxz h ALA 245 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hxz h ALA 245 CO -0.05 0.12 -0.01 0.28 0.00 0.00 0.00 179.25 179.59 3hxz h VAL 246 N 0.57 0.97 0.00 0.00 2.07 -1.12 -1.17 116.25 117.57 3hxz h VAL 246 Ca 0.15 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 3hxz h VAL 246 Cb 0.09 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hxz h VAL 246 CO -0.02 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.10 3hxz h LEU 247 N -0.01 0.00 -1.77 2.57 3.38 -0.84 -2.61 115.31 116.02 3hxz h LEU 247 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hxz h LEU 247 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hxz h LEU 247 CO -0.02 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3hxz n GLN 248 N -3.71 2.13 -3.24 1.13 6.02 0.02 -4.67 117.38 115.06 3hxz n GLN 248 Ca -0.01 -1.74 -0.20 0.00 -0.01 0.00 0.00 57.00 55.05 3hxz n GLN 248 Cb 0.48 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.38 3hxz n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxz n HIS 249 N 0.92 -2.16 -4.61 1.08 8.25 -0.96 -5.02 115.22 112.72 3hxz n HIS 249 Ca 0.17 0.71 -0.28 0.00 -0.26 0.00 0.00 57.72 58.07 3hxz n HIS 249 Cb 0.44 -4.23 -0.09 0.00 1.12 0.00 0.00 29.99 27.23 3hxz n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxz s VAL 250 N -3.20 1.36 -0.17 1.59 -7.23 -0.48 -5.06 120.40 107.21 3hxz s VAL 250 Ca 0.41 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.66 3hxz s VAL 250 Cb -0.18 -2.60 -0.16 0.00 0.56 0.00 0.00 36.38 34.00 3hxz s VAL 250 CO 0.51 0.00 -0.05 0.59 -0.31 0.00 0.00 175.10 175.84 3hxz n ASN 251 N -1.05 1.78 -4.87 4.85 5.03 -1.26 -4.23 115.26 115.50 3hxz n ASN 251 Ca -0.09 -0.05 -0.35 0.00 0.87 0.00 0.00 54.58 54.96 3hxz n ASN 251 Cb 0.67 0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 39.72 3hxz n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hxz s SER 252 N -5.33 6.27 0.48 6.41 0.15 -1.26 -4.97 113.70 115.44 3hxz s SER 252 Ca -0.16 0.37 0.22 0.00 0.70 0.00 0.00 55.95 57.08 3hxz s SER 252 Cb 0.06 -1.97 1.25 0.00 -1.71 0.00 0.00 66.02 63.64 3hxz s SER 252 CO 0.55 0.33 1.95 0.78 1.20 0.00 0.00 173.24 178.05 3hxz h ASN 253 N 4.40 0.17 0.33 5.45 4.21 -1.47 -1.14 115.58 127.53 3hxz h ASN 253 Ca -0.52 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3hxz h ASN 253 Cb 1.21 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3hxz h ASN 253 CO 0.63 0.09 0.00 -1.22 -1.29 0.00 0.00 177.43 175.64 3hxz n TYR 254 N -4.41 0.00 0.99 1.19 4.01 -1.26 -2.66 117.16 115.02 3hxz n TYR 254 Ca 0.13 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.99 3hxz n TYR 254 Cb 0.61 -0.18 0.12 0.00 -0.31 0.00 0.00 39.34 39.59 3hxz n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxz n ASP 255 N -1.18 2.95 -4.80 7.72 8.00 -0.43 -3.73 116.55 125.08 3hxz n ASP 255 Ca 0.17 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.38 3hxz n ASP 255 Cb 0.18 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.34 3hxz n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxz s ILE 256 N -1.98 3.63 0.23 0.53 -4.36 -1.09 -4.75 121.20 113.41 3hxz s ILE 256 Ca 0.29 0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 61.12 3hxz s ILE 256 Cb 0.20 -3.21 0.21 0.00 1.25 0.00 0.00 42.46 40.91 3hxz s ILE 256 CO 0.30 -0.69 1.68 -2.24 0.24 0.00 0.00 174.94 174.23 3hxz h ASP 257 N -0.92 -0.12 -0.10 4.36 2.03 -1.93 -0.45 116.42 119.30 3hxz h ASP 257 Ca -0.45 0.15 0.04 0.00 -0.73 0.00 0.00 57.03 56.04 3hxz h ASP 257 Cb 1.23 0.23 -0.05 0.00 -0.83 0.00 0.00 39.33 39.91 3hxz h ASP 257 CO 0.56 -0.07 -0.19 0.25 -1.03 0.00 0.00 179.24 178.77 3hxz h LEU 258 N 0.20 -0.57 -0.34 0.15 6.46 -1.92 -2.40 115.31 116.89 3hxz h LEU 258 Ca 0.36 0.10 -0.18 0.00 -0.12 0.00 0.00 57.88 58.04 3hxz h LEU 258 Cb 0.59 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 3hxz h LEU 258 CO -0.51 -0.24 -0.83 -0.26 -0.62 0.00 0.00 178.44 175.98 3hxz h PHE 259 N -0.25 0.05 -0.41 1.25 -1.00 -1.69 -2.48 116.94 112.41 3hxz h PHE 259 Ca 0.09 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.85 3hxz h PHE 259 Cb 0.38 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 3hxz h PHE 259 CO -0.28 0.85 0.26 0.00 -1.61 0.00 0.00 178.31 177.53 3hxz h ARG 260 N 0.02 0.52 -0.56 1.51 3.08 -0.94 0.16 114.38 118.16 3hxz h ARG 260 Ca -0.01 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3hxz h ARG 260 Cb 1.47 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 3hxz h ARG 260 CO 0.11 0.34 -0.04 1.15 -1.07 0.00 0.00 179.97 180.47 3hxz h THR 261 N 0.54 1.27 -0.43 2.04 2.02 -1.43 -2.50 112.91 114.41 3hxz h THR 261 Ca 0.15 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 3hxz h THR 261 Cb -0.05 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hxz h THR 261 CO -0.04 0.42 -0.19 0.25 0.37 0.00 0.00 175.52 176.33 3hxz h LEU 262 N 0.91 0.91 -1.03 2.58 5.85 -1.17 -2.63 115.31 120.73 3hxz h LEU 262 Ca 0.16 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3hxz h LEU 262 Cb 0.59 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3hxz h LEU 262 CO 0.04 1.11 -0.08 0.40 -0.34 0.00 0.00 178.44 179.56 3hxz h ILE 263 N 0.71 1.23 -0.70 4.05 2.04 -0.65 -1.39 117.51 122.80 3hxz h ILE 263 Ca 0.10 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3hxz h ILE 263 Cb 0.76 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3hxz h ILE 263 CO 0.06 0.34 0.46 1.56 0.00 0.00 0.00 178.15 180.57 3hxz h GLN 264 N 0.56 0.93 -0.72 2.37 4.20 -1.34 -1.13 115.11 119.98 3hxz h GLN 264 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3hxz h GLN 264 Cb 0.48 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3hxz h GLN 264 CO 0.03 0.62 0.22 0.00 -0.67 0.00 0.00 178.83 179.02 3hxz h ALA 265 N 1.25 1.04 -0.37 3.87 0.00 -1.04 -1.11 119.26 122.91 3hxz h ALA 265 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hxz h ALA 265 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3hxz h ALA 265 CO -0.05 0.65 0.15 0.28 0.00 0.00 0.00 179.25 180.27 3hxz h VAL 266 N 1.06 1.19 -0.76 0.00 2.07 -0.93 -1.90 116.25 116.98 3hxz h VAL 266 Ca 0.23 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3hxz h VAL 266 Cb 0.30 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3hxz h VAL 266 CO -0.01 0.21 0.49 0.00 0.02 0.00 0.00 177.57 178.28 3hxz h ALA 267 N 0.99 1.00 -0.43 1.67 0.00 -0.98 -1.31 119.26 120.19 3hxz h ALA 267 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hxz h ALA 267 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hxz h ALA 267 CO -0.01 0.30 0.28 -0.22 0.00 0.00 0.00 179.25 179.60 3hxz h LYS 268 N 0.96 0.55 0.00 0.00 3.64 -0.92 0.65 116.57 121.45 3hxz h LYS 268 Ca 0.30 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3hxz h LYS 268 Cb -0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3hxz h LYS 268 CO -0.10 0.36 -0.47 -0.39 -2.27 0.00 0.00 179.45 176.58 3hxz h VAL 269 N 0.57 0.41 0.00 2.00 -1.51 -1.09 -3.26 116.25 113.37 3hxz h VAL 269 Ca 0.16 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 3hxz h VAL 269 Cb -0.04 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3hxz h VAL 269 CO -0.05 0.23 -1.33 0.35 -1.23 0.00 0.00 177.57 175.54 3hxz n THR 270 N -3.08 0.41 -0.85 7.19 -2.24 -0.52 -4.84 114.28 110.35 3hxz n THR 270 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3hxz n THR 270 Cb 0.65 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3hxz n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxz n GLY 271 N 1.21 0.55 3.80 3.38 0.00 0.16 -3.50 105.19 110.80 3hxz n GLY 271 Ca -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3hxz n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz s ALA 272 N -2.00 2.79 -0.00 4.61 0.00 -0.85 -4.98 121.76 121.33 3hxz s ALA 272 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3hxz s ALA 272 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 3hxz s ALA 272 CO 0.00 -0.60 0.00 0.25 0.00 0.00 0.00 175.76 175.41 3hxz n THR 273 N -1.57 0.01 -2.67 0.00 -2.24 -1.26 -4.61 114.28 101.94 3hxz n THR 273 Ca 0.09 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3hxz n THR 273 Cb 0.53 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3hxz n THR 273 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hxz s ASP 274 N -2.62 6.25 0.00 3.42 2.15 -1.26 -4.87 116.67 119.74 3hxz s ASP 274 Ca -0.00 -0.89 0.10 0.00 0.43 0.00 0.00 52.55 52.19 3hxz s ASP 274 Cb 0.00 -2.51 0.60 0.00 -0.30 0.00 0.00 42.92 40.72 3hxz s ASP 274 CO 0.01 -1.61 1.07 0.18 -0.17 0.00 0.00 175.17 174.65 3hxz n LEU 275 N 8.59 0.00 -0.16 -1.34 4.77 -1.26 -2.48 117.00 125.12 3hxz n LEU 275 Ca 0.07 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3hxz n LEU 275 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3hxz n LEU 275 CO 0.67 0.00 0.09 -1.54 -1.33 0.00 0.00 177.39 175.28 3hxz n SER 276 N -0.78 1.10 -4.73 -1.43 3.41 -1.26 -4.98 113.62 104.95 3hxz n SER 276 Ca 0.08 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 3hxz n SER 276 Cb 0.03 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 3hxz n SER 276 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hxz s ASN 277 N -2.19 6.56 0.55 4.04 3.84 -1.04 -4.90 114.94 121.81 3hxz s ASN 277 Ca 0.09 2.68 0.29 0.00 0.21 0.00 0.00 52.86 56.13 3hxz s ASN 277 Cb 0.12 -2.60 1.60 0.00 -0.55 0.00 0.00 41.25 39.81 3hxz s ASN 277 CO 0.52 -0.82 2.13 0.07 -2.79 0.00 0.00 177.10 176.21 3hxz h LYS 278 N 6.27 0.00 -0.09 0.43 2.10 -1.92 -2.35 116.57 121.01 3hxz h LYS 278 Ca -0.44 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.17 3hxz h LYS 278 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3hxz h LYS 278 CO 0.88 0.08 -0.16 0.77 -2.00 0.00 0.00 179.45 179.02 3hxz h SER 279 N 0.00 0.14 -0.78 7.07 0.02 -1.94 -0.97 113.55 117.09 3hxz h SER 279 Ca -0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3hxz h SER 279 Cb 0.24 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3hxz h SER 279 CO 0.01 0.31 0.30 -0.07 -1.14 0.00 0.00 176.83 176.24 3hxz h LEU 280 N 0.14 1.09 -0.37 5.07 3.38 -1.79 -1.10 115.31 121.73 3hxz h LEU 280 Ca 0.03 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3hxz h LEU 280 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hxz h LEU 280 CO 0.02 0.98 -0.33 0.03 0.09 0.00 0.00 178.44 179.23 3hxz h ARG 281 N 1.14 0.88 -0.52 1.13 3.08 -1.43 -1.40 114.38 117.26 3hxz h ARG 281 Ca 0.26 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hxz h ARG 281 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3hxz h ARG 281 CO -0.02 1.10 0.31 0.28 -1.07 0.00 0.00 179.97 180.56 3hxz h VAL 282 N 0.68 1.16 -0.37 2.04 2.07 -1.06 -1.61 116.25 119.17 3hxz h VAL 282 Ca 0.06 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3hxz h VAL 282 Cb 0.92 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hxz h VAL 282 CO 0.08 0.17 -0.07 0.40 0.02 0.00 0.00 177.57 178.17 3hxz h ILE 283 N 0.70 1.27 -0.84 4.57 2.04 -1.16 -0.26 117.51 123.83 3hxz h ILE 283 Ca 0.19 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 65.00 3hxz h ILE 283 Cb 0.00 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3hxz h ILE 283 CO -0.03 0.37 0.51 0.00 0.00 0.00 0.00 178.15 179.00 3hxz h ALA 284 N 0.83 1.18 -0.31 1.87 0.00 -1.16 -0.66 119.26 121.01 3hxz h ALA 284 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hxz h ALA 284 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hxz h ALA 284 CO 0.03 0.20 -0.04 0.22 0.00 0.00 0.00 179.25 179.66 3hxz h ASP 285 N 0.89 0.58 0.07 0.00 3.58 -1.07 -3.27 116.42 117.20 3hxz h ASP 285 Ca 0.38 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 57.37 3hxz h ASP 285 Cb 0.25 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3hxz h ASP 285 CO -0.20 0.79 -0.42 0.45 -2.88 0.00 0.00 179.24 176.97 3hxz h HIS 286 N 0.36 0.53 -0.40 0.28 3.86 -0.46 -2.29 115.15 117.03 3hxz h HIS 286 Ca 0.08 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 3hxz h HIS 286 Cb 0.52 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3hxz h HIS 286 CO 0.05 0.79 0.13 0.97 0.86 0.00 0.00 177.93 180.73 3hxz h ILE 287 N 0.37 1.17 0.36 2.45 6.09 -1.22 -0.02 117.51 126.70 3hxz h ILE 287 Ca 0.03 -0.56 -0.02 0.00 -1.37 0.00 0.00 64.86 62.94 3hxz h ILE 287 Cb 0.89 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.92 3hxz h ILE 287 CO 0.08 0.21 -0.17 0.03 -3.07 0.00 0.00 178.15 175.22 3hxz h ARG 288 N 0.56 -0.46 -0.33 2.19 3.08 -1.46 -0.14 114.38 117.83 3hxz h ARG 288 Ca 0.14 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3hxz h ARG 288 Cb 0.17 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hxz h ARG 288 CO -0.01 -0.20 0.15 0.66 -1.07 0.00 0.00 179.97 179.51 3hxz h SER 289 N -0.67 0.43 0.02 7.04 4.64 -1.42 -2.51 113.55 121.08 3hxz h SER 289 Ca -0.05 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hxz h SER 289 Cb 0.48 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hxz h SER 289 CO 0.08 0.44 -0.01 0.00 -0.87 0.00 0.00 176.83 176.48 3hxz h ALA 291 N 0.79 0.62 -0.24 0.00 0.00 -1.06 -2.27 119.26 117.10 3hxz h ALA 291 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3hxz h ALA 291 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hxz h ALA 291 CO 0.00 0.26 -0.39 0.74 0.00 0.00 0.00 179.25 179.87 3hxz h PHE 292 N 0.63 0.66 -0.53 0.00 0.04 -1.44 -1.20 116.94 115.09 3hxz h PHE 292 Ca 0.15 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 3hxz h PHE 292 Cb 0.26 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3hxz h PHE 292 CO 0.01 0.87 0.20 -0.07 -0.60 0.00 0.00 178.31 178.72 3hxz h LEU 293 N 0.46 0.75 -0.56 1.54 3.38 -1.09 -1.19 115.31 118.59 3hxz h LEU 293 Ca 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3hxz h LEU 293 Cb 0.89 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hxz h LEU 293 CO 0.08 0.72 0.10 0.40 0.09 0.00 0.00 178.44 179.83 3hxz h ILE 294 N 0.73 1.25 -0.28 1.22 2.04 -1.31 -1.00 117.51 120.16 3hxz h ILE 294 Ca 0.18 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3hxz h ILE 294 Cb 0.22 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3hxz h ILE 294 CO -0.01 0.35 0.19 0.00 0.00 0.00 0.00 178.15 178.67 3hxz h ALA 295 N 1.00 1.80 -0.35 1.87 0.00 -1.02 -1.83 119.26 120.74 3hxz h ALA 295 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hxz h ALA 295 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hxz h ALA 295 CO 0.01 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 3hxz n ASP 296 N -4.50 2.10 0.00 0.00 8.00 -0.47 -4.91 116.55 116.77 3hxz n ASP 296 Ca 0.01 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.59 3hxz n ASP 296 Cb 0.07 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3hxz n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxz n GLY 297 N 1.16 0.83 3.72 0.44 0.00 -0.69 -4.67 105.19 105.98 3hxz n GLY 297 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hxz n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxz s VAL 298 N -2.00 4.65 -0.04 1.61 1.01 -0.42 -4.98 120.40 120.23 3hxz s VAL 298 Ca 0.00 2.05 0.05 0.00 0.00 0.00 0.00 61.98 64.08 3hxz s VAL 298 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3hxz s VAL 298 CO 0.00 0.26 -0.17 -0.04 0.00 0.00 0.00 175.10 175.14 3hxz s MET 299 N 0.39 2.38 0.38 2.72 -1.94 -1.26 -4.11 119.30 117.86 3hxz s MET 299 Ca 0.49 -0.77 -0.27 0.00 -1.71 0.00 0.00 55.69 53.42 3hxz s MET 299 Cb -0.22 -2.28 -0.11 0.00 2.01 0.00 0.00 34.83 34.22 3hxz s MET 299 CO 0.29 0.60 1.39 -2.30 -0.01 0.00 0.00 175.02 174.99 3hxz n PRO 300 N 2.29 2.35 -2.44 2.03 -0.02 -1.26 -4.17 135.00 133.77 3hxz n PRO 300 Ca -0.17 0.83 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3hxz n PRO 300 Cb 0.52 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3hxz n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hxz n SER 301 N 0.46 -1.05 -1.28 2.55 3.41 -0.92 -4.95 113.62 111.84 3hxz n SER 301 Ca 0.03 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 57.05 3hxz n SER 301 Cb 0.38 1.73 0.32 0.00 -0.26 0.00 0.00 64.21 66.38 3hxz n SER 301 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hxz n ASN 302 N -1.16 4.60 -3.89 4.04 3.02 -1.26 -2.94 115.26 117.66 3hxz n ASN 302 Ca -0.03 -2.95 -0.11 0.00 -0.03 0.00 0.00 54.58 51.46 3hxz n ASN 302 Cb 0.29 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 3hxz n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxz s GLU 303 N -2.74 0.34 2.75 3.52 4.04 -1.26 -4.83 118.70 120.53 3hxz s GLU 303 Ca 0.47 -0.33 0.00 0.00 0.04 0.00 0.00 54.97 55.15 3hxz s GLU 303 Cb 0.37 0.14 0.00 0.00 0.02 0.00 0.00 34.13 34.66 3hxz s GLU 303 CO 0.12 -0.07 0.00 0.09 -1.84 0.00 0.00 175.26 173.56 3hxz n ASN 304 N 1.87 0.00 -0.26 0.83 3.02 -1.26 -2.19 115.26 117.27 3hxz n ASN 304 Ca -0.21 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.32 3hxz n ASN 304 Cb 0.56 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.82 3hxz n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxz h ARG 305 N 0.00 0.88 -0.37 3.52 3.08 -1.96 -2.44 114.38 117.10 3hxz h ARG 305 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hxz h ARG 305 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3hxz h ARG 305 CO 0.00 0.58 0.24 0.78 -1.07 0.00 0.00 179.97 180.50 3hxz h GLY 306 N 0.90 0.50 1.44 0.04 0.00 -1.60 -2.27 103.07 102.09 3hxz h GLY 306 Ca 0.30 -0.18 -0.23 0.00 0.00 0.00 0.00 47.33 47.21 3hxz h GLY 306 CO -0.11 0.18 -0.94 -1.82 0.00 0.00 0.00 176.54 173.84 3hxz h TYR 307 N 0.48 0.74 -0.51 5.60 3.20 -1.00 -0.58 116.97 124.90 3hxz h TYR 307 Ca 0.14 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3hxz h TYR 307 Cb -0.03 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3hxz h TYR 307 CO -0.00 1.21 0.33 0.28 -1.64 0.00 0.00 178.16 178.35 3hxz h VAL 308 N 0.29 1.13 -0.11 1.81 2.07 -1.25 0.14 116.25 120.34 3hxz h VAL 308 Ca -0.09 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3hxz h VAL 308 Cb 1.58 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hxz h VAL 308 CO 0.17 0.13 0.07 0.25 0.02 0.00 0.00 177.57 178.21 3hxz h LEU 309 N 0.69 0.12 -0.68 2.57 5.85 -1.37 -1.82 115.31 120.68 3hxz h LEU 309 Ca 0.19 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3hxz h LEU 309 Cb -0.08 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3hxz h LEU 309 CO -0.04 0.09 0.36 -0.09 -0.34 0.00 0.00 178.44 178.43 3hxz h ARG 310 N 0.14 0.64 -0.34 1.25 2.43 -0.79 -0.96 114.38 116.76 3hxz h ARG 310 Ca 0.04 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3hxz h ARG 310 Cb -0.01 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3hxz h ARG 310 CO -0.01 0.42 0.17 0.00 -1.51 0.00 0.00 179.97 179.05 3hxz h ARG 311 N 0.66 0.34 -0.45 0.20 3.08 -0.43 -0.79 114.38 116.99 3hxz h ARG 311 Ca 0.31 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.26 3hxz h ARG 311 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hxz h ARG 311 CO -0.20 0.23 -0.04 0.82 -1.07 0.00 0.00 179.97 179.70 3hxz h ILE 312 N 0.35 1.27 -0.16 2.04 2.04 -0.91 -1.39 117.51 120.75 3hxz h ILE 312 Ca 0.14 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3hxz h ILE 312 Cb 0.05 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3hxz h ILE 312 CO -0.09 0.38 0.07 0.40 0.00 0.00 0.00 178.15 178.90 3hxz h ILE 313 N 0.66 0.98 -0.35 -0.67 2.04 -1.00 -1.21 117.51 117.97 3hxz h ILE 313 Ca 0.12 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 3hxz h ILE 313 Cb 0.55 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3hxz h ILE 313 CO 0.03 0.03 -0.14 0.03 0.00 0.00 0.00 178.15 178.10 3hxz h ARG 314 N 0.15 0.63 -0.66 2.37 3.08 -1.05 -0.71 114.38 118.19 3hxz h ARG 314 Ca 0.06 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3hxz h ARG 314 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3hxz h ARG 314 CO -0.06 0.75 0.17 0.00 -1.07 0.00 0.00 179.97 179.76 3hxz h ARG 315 N 0.57 1.03 -0.38 0.04 3.08 -1.07 -0.93 114.38 116.71 3hxz h ARG 315 Ca 0.10 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3hxz h ARG 315 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3hxz h ARG 315 CO 0.04 0.91 0.07 0.00 -1.07 0.00 0.00 179.97 179.91 3hxz h ALA 316 N 1.19 0.51 -0.80 0.04 0.00 -0.51 -1.95 119.26 117.74 3hxz h ALA 316 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hxz h ALA 316 Cb 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hxz h ALA 316 CO -0.00 0.21 0.42 0.28 0.00 0.00 0.00 179.25 180.17 3hxz h VAL 317 N 0.48 1.24 -0.43 0.00 2.07 -1.01 -1.51 116.25 117.08 3hxz h VAL 317 Ca 0.12 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3hxz h VAL 317 Cb 0.36 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hxz h VAL 317 CO 0.01 0.27 0.23 -0.09 0.02 0.00 0.00 177.57 178.01 3hxz h ARG 318 N 1.11 0.45 -0.68 1.57 1.12 -0.96 -0.60 114.38 116.39 3hxz h ARG 318 Ca 0.28 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.12 3hxz h ARG 318 Cb 0.06 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 3hxz h ARG 318 CO -0.04 0.30 0.42 0.45 -3.11 0.00 0.00 179.97 177.99 3hxz h HIS 319 N 0.46 0.88 -0.59 2.20 3.86 -1.00 -1.51 115.15 119.45 3hxz h HIS 319 Ca 0.18 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3hxz h HIS 319 Cb 0.07 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 3hxz h HIS 319 CO -0.09 0.58 0.25 0.78 0.86 0.00 0.00 177.93 180.32 3hxz h GLY 320 N 0.96 0.90 0.98 2.45 0.00 -0.41 -1.83 103.07 106.12 3hxz h GLY 320 Ca 0.25 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3hxz h GLY 320 CO -0.05 0.42 0.23 -0.57 0.00 0.00 0.00 176.54 176.57 3hxz h ASN 321 N 0.83 0.75 -0.06 0.19 -0.73 -0.18 -0.89 115.58 115.49 3hxz h ASN 321 Ca 0.20 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 3hxz h ASN 321 Cb 0.13 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 3hxz h ASN 321 CO -0.02 0.71 -0.07 -0.03 -0.37 0.00 0.00 177.43 177.64 3hxz h MET 322 N 0.75 0.31 0.00 6.67 4.05 -0.88 -1.60 114.93 124.23 3hxz h MET 322 Ca 0.18 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3hxz h MET 322 Cb 0.18 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hxz h MET 322 CO -0.02 0.40 0.00 1.28 0.23 0.00 0.00 176.91 178.80 3hxz n LEU 323 N -4.30 0.69 0.00 3.39 4.77 -0.73 -4.92 117.00 115.90 3hxz n LEU 323 Ca -0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3hxz n LEU 323 Cb 0.24 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hxz n LEU 323 CO 0.38 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3hxz n GLY 324 N 1.02 1.61 3.71 -0.72 0.00 -0.60 -4.54 105.19 105.66 3hxz n GLY 324 Ca 0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3hxz n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz s ALA 325 N -2.00 3.79 -0.21 4.61 0.00 -0.39 -4.87 121.76 122.70 3hxz s ALA 325 Ca 0.00 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.58 3hxz s ALA 325 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3hxz s ALA 325 CO 0.00 -0.99 0.97 1.63 0.00 0.00 0.00 175.76 177.36 3hxz n LYS 326 N 4.74 0.61 -4.13 0.00 4.01 -1.26 -4.80 118.16 117.33 3hxz n LYS 326 Ca 0.16 0.10 -0.11 0.00 -0.51 0.00 0.00 58.31 57.95 3hxz n LYS 326 Cb 0.38 -1.80 -0.09 0.00 -0.51 0.00 0.00 35.03 33.01 3hxz n LYS 326 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hxz s GLU 327 N -3.34 1.18 -0.11 1.97 -1.05 -1.26 -5.11 118.70 110.98 3hxz s GLU 327 Ca -0.01 -1.47 -0.37 0.00 -0.15 0.00 0.00 54.97 52.96 3hxz s GLU 327 Cb 0.10 0.31 -0.15 0.00 -0.44 0.00 0.00 34.13 33.95 3hxz s GLU 327 CO 0.80 -0.40 1.68 2.41 0.95 0.00 0.00 175.26 180.71 3hxz n THR 328 N -0.24 0.28 0.00 1.83 -1.04 -1.26 -4.84 114.28 109.01 3hxz n THR 328 Ca -0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hxz n THR 328 Cb 0.64 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 3hxz n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxz n PHE 329 N 4.93 0.00 -0.26 -1.42 1.16 -1.26 -4.89 117.46 115.72 3hxz n PHE 329 Ca 0.23 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.77 3hxz n PHE 329 Cb 0.20 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.15 3hxz n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxz h PHE 330 N 0.00 0.88 0.00 2.97 3.57 -1.92 -0.75 116.94 121.69 3hxz h PHE 330 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hxz h PHE 330 Cb 0.54 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3hxz h PHE 330 CO 0.00 0.52 -0.05 0.10 -2.23 0.00 0.00 178.31 176.65 3hxz h TYR 331 N 0.93 0.00 0.00 0.41 -0.00 -1.87 -2.47 116.97 113.98 3hxz h TYR 331 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.01 3hxz h TYR 331 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.70 3hxz h TYR 331 CO -0.03 0.05 0.00 1.63 -0.00 0.00 0.00 178.16 179.81 3hxz n LYS 332 N -3.41 0.11 0.00 0.10 5.02 -0.29 -2.67 118.16 117.02 3hxz n LYS 332 Ca -0.02 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3hxz n LYS 332 Cb 0.18 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.92 3hxz n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxz n LEU 333 N -1.41 1.04 -0.20 -0.35 4.77 -0.93 -4.18 117.00 115.74 3hxz n LEU 333 Ca 0.06 -0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 3hxz n LEU 333 Cb 0.18 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3hxz n LEU 333 CO 0.15 0.21 0.93 0.58 -1.33 0.00 0.00 177.39 177.94 3hxz h VAL 334 N 0.95 1.24 0.81 4.08 2.07 -1.70 -1.25 116.25 122.45 3hxz h VAL 334 Ca 0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3hxz h VAL 334 Cb 0.54 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hxz h VAL 334 CO 0.00 0.30 -0.49 1.23 0.02 0.00 0.00 177.57 178.63 3hxz h GLY 335 N 0.78 -1.35 0.00 2.17 0.00 -1.81 -1.23 103.07 101.64 3hxz h GLY 335 Ca 0.18 0.54 0.23 0.00 0.00 0.00 0.00 47.33 48.29 3hxz h GLY 335 CO -0.01 -0.46 0.63 -2.55 0.00 0.00 0.00 176.54 174.16 3hxz h PRO 336 N -1.21 0.50 -0.17 4.80 0.11 -1.77 -1.85 132.00 132.40 3hxz h PRO 336 Ca -0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3hxz h PRO 336 Cb 0.97 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3hxz h PRO 336 CO 0.12 0.33 -0.01 1.25 -0.21 0.00 0.00 178.00 179.48 3hxz h LEU 337 N 0.51 0.31 -0.88 2.35 5.85 -0.93 -2.81 115.31 119.71 3hxz h LEU 337 Ca 0.58 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 59.08 3hxz h LEU 337 Cb 1.27 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 3hxz h LEU 337 CO -0.32 0.56 0.51 0.40 -0.34 0.00 0.00 178.44 179.26 3hxz h ILE 338 N 0.05 0.89 0.00 4.05 2.04 -0.62 -2.35 117.51 121.57 3hxz h ILE 338 Ca 0.05 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3hxz h ILE 338 Cb 0.41 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hxz h ILE 338 CO 0.01 0.15 -0.13 0.44 0.00 0.00 0.00 178.15 178.62 3hxz h ASP 339 N 0.83 0.00 -0.00 1.72 3.32 -1.11 -2.91 116.42 118.26 3hxz h ASP 339 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3hxz h ASP 339 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3hxz h ASP 339 CO -0.27 0.13 -0.78 1.33 -1.72 0.00 0.00 179.24 177.93 3hxz n VAL 340 N -3.87 0.00 0.67 -1.35 0.24 -0.92 -4.50 118.33 108.60 3hxz n VAL 340 Ca -0.02 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.29 3hxz n VAL 340 Cb 0.23 1.08 0.15 0.00 -1.47 0.00 0.00 33.84 33.83 3hxz n VAL 340 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hxz n MET 341 N -0.99 0.22 0.00 7.34 2.81 -0.98 -4.88 117.12 120.64 3hxz n MET 341 Ca 0.05 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3hxz n MET 341 Cb 0.36 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 3hxz n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxz n GLY 342 N 1.38 2.79 0.28 3.03 0.00 -1.25 -2.24 105.19 109.19 3hxz n GLY 342 Ca 0.03 -0.38 0.17 0.00 0.00 0.00 0.00 46.02 45.84 3hxz n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxz h SER 343 N 9.49 0.00 0.56 1.61 4.64 -1.96 -2.18 113.55 125.72 3hxz h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxz h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxz h SER 343 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3hxz n ALA 344 N -2.16 1.79 -0.29 5.18 0.00 -0.95 -2.66 120.51 121.42 3hxz n ALA 344 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3hxz n ALA 344 Cb 0.24 -1.27 0.27 0.00 0.00 0.00 0.00 19.45 18.69 3hxz n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxz n GLY 345 N 0.24 2.54 0.26 0.00 0.00 -0.82 -4.69 105.19 102.72 3hxz n GLY 345 Ca 0.04 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.43 3hxz n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hxz h GLU 346 N 3.64 0.22 -0.03 1.61 5.08 -1.65 0.28 114.58 123.73 3hxz h GLU 346 Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3hxz h GLU 346 Cb 0.91 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hxz h GLU 346 CO 0.00 0.15 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.32 3hxz h ASP 347 N 0.23 0.06 -0.06 1.42 3.32 -1.86 -1.58 116.42 117.94 3hxz h ASP 347 Ca 0.38 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 3hxz h ASP 347 Cb 0.64 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.18 3hxz h ASP 347 CO -0.51 0.46 -0.57 0.25 -1.72 0.00 0.00 179.24 177.14 3hxz h LEU 348 N 0.05 0.61 -0.74 1.55 5.85 -1.57 -3.16 115.31 117.91 3hxz h LEU 348 Ca 0.00 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 3hxz h LEU 348 Cb 0.72 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3hxz h LEU 348 CO 0.05 1.21 0.43 0.50 -0.34 0.00 0.00 178.44 180.30 3hxz h LYS 349 N 0.07 1.01 -0.63 1.25 3.64 -0.79 -0.77 116.57 120.35 3hxz h LYS 349 Ca -0.05 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3hxz h LYS 349 Cb 1.24 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3hxz h LYS 349 CO 0.12 0.73 0.42 -0.09 -2.27 0.00 0.00 179.45 178.35 3hxz h ARG 350 N 1.01 0.54 -0.29 1.90 2.43 -1.37 -2.72 114.38 115.88 3hxz h ARG 350 Ca 0.26 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 3hxz h ARG 350 Cb -0.01 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.34 3hxz h ARG 350 CO -0.05 0.35 -0.10 1.04 -1.51 0.00 0.00 179.97 179.71 3hxz n GLN 351 N -4.48 1.94 -0.02 0.20 6.02 -0.77 -4.83 117.38 115.44 3hxz n GLN 351 Ca 0.09 -3.12 -0.10 0.00 -0.01 0.00 0.00 57.00 53.87 3hxz n GLN 351 Cb 0.29 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 3hxz n GLN 351 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hxz h GLN 352 N 1.06 -0.34 -0.53 -1.09 4.15 -0.84 -1.51 115.11 116.02 3hxz h GLN 352 Ca 0.16 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.64 3hxz h GLN 352 Cb 1.54 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 29.26 3hxz h GLN 352 CO 0.31 -0.22 0.28 0.00 -1.93 0.00 0.00 178.83 177.27 3hxz h ALA 353 N 0.54 0.68 -0.34 3.38 0.00 -1.88 -1.09 119.26 120.55 3hxz h ALA 353 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hxz h ALA 353 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hxz h ALA 353 CO -0.38 -0.06 0.15 0.37 0.00 0.00 0.00 179.25 179.33 3hxz h GLN 354 N 0.54 0.51 -0.53 0.00 4.15 -1.85 -2.15 115.11 115.79 3hxz h GLN 354 Ca 0.23 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3hxz h GLN 354 Cb 0.12 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3hxz h GLN 354 CO -0.15 0.49 0.28 0.28 -1.93 0.00 0.00 178.83 177.80 3hxz h VAL 355 N 0.41 1.19 -0.55 2.39 2.07 -0.95 -1.79 116.25 119.02 3hxz h VAL 355 Ca 0.12 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3hxz h VAL 355 Cb 0.17 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3hxz h VAL 355 CO -0.01 0.21 0.32 -0.33 0.02 0.00 0.00 177.57 177.78 3hxz h GLU 356 N 0.71 0.62 -0.54 1.57 5.08 -1.08 -1.79 114.58 119.15 3hxz h GLU 356 Ca 0.18 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3hxz h GLU 356 Cb 0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3hxz h GLU 356 CO -0.03 0.41 0.02 0.37 -1.00 0.00 0.00 179.01 178.78 3hxz h GLN 357 N 0.63 0.94 -0.45 2.33 5.75 -1.14 0.48 115.11 123.66 3hxz h GLN 357 Ca 0.22 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3hxz h GLN 357 Cb 0.04 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3hxz h GLN 357 CO -0.11 0.94 0.30 0.28 -2.65 0.00 0.00 178.83 177.59 3hxz h VAL 358 N 0.82 1.11 -0.29 2.39 2.07 -1.08 -0.25 116.25 121.02 3hxz h VAL 358 Ca 0.16 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 3hxz h VAL 358 Cb 0.50 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hxz h VAL 358 CO 0.02 0.11 -0.35 -0.07 0.02 0.00 0.00 177.57 177.31 3hxz h LEU 359 N 0.60 0.68 -0.03 2.57 3.38 -1.14 -1.59 115.31 119.77 3hxz h LEU 359 Ca 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hxz h LEU 359 Cb -0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hxz h LEU 359 CO -0.04 0.97 0.01 0.50 0.09 0.00 0.00 178.44 179.96 3hxz h LYS 360 N 0.54 0.04 -0.54 1.13 3.64 -0.64 -1.96 116.57 118.78 3hxz h LYS 360 Ca 0.06 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hxz h LYS 360 Cb 0.85 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3hxz h LYS 360 CO 0.07 0.26 0.34 1.15 -2.27 0.00 0.00 179.45 179.00 3hxz h THR 361 N -0.18 1.10 -0.61 1.00 2.02 -1.01 -1.29 112.91 113.94 3hxz h THR 361 Ca 0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3hxz h THR 361 Cb 0.24 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3hxz h THR 361 CO 0.00 0.13 0.28 -0.08 0.37 0.00 0.00 175.52 176.22 3hxz h GLU 362 N 0.69 0.88 -0.36 6.66 4.57 -1.24 -0.30 114.58 125.48 3hxz h GLU 362 Ca 0.21 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3hxz h GLU 362 Cb -0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3hxz h GLU 362 CO -0.07 0.72 0.01 1.49 -1.18 0.00 0.00 179.01 179.98 3hxz h GLU 363 N 0.83 0.63 -0.78 1.92 4.81 -1.17 -1.59 114.58 119.23 3hxz h GLU 363 Ca 0.21 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3hxz h GLU 363 Cb 0.13 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3hxz h GLU 363 CO -0.02 0.73 0.51 0.93 -0.73 0.00 0.00 179.01 180.43 3hxz h GLU 364 N 0.45 1.01 -0.58 1.92 5.08 -1.07 0.10 114.58 121.50 3hxz h GLU 364 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hxz h GLU 364 Cb 0.44 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3hxz h GLU 364 CO 0.02 0.67 0.35 0.37 -1.00 0.00 0.00 179.01 179.42 3hxz h GLN 365 N 1.04 0.78 -0.07 2.33 5.75 -0.92 -2.89 115.11 121.14 3hxz h GLN 365 Ca 0.29 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.58 3hxz h GLN 365 Cb -0.10 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 3hxz h GLN 365 CO -0.07 0.56 -0.58 0.35 -2.65 0.00 0.00 178.83 176.44 3hxz h PHE 366 N 0.78 0.28 0.00 3.99 3.57 -0.84 -2.94 116.94 121.79 3hxz h PHE 366 Ca 0.21 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3hxz h PHE 366 Cb -0.02 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3hxz h PHE 366 CO -0.02 0.75 -0.01 0.00 -2.23 0.00 0.00 178.31 176.80 3hxz h ALA 367 N 1.23 1.13 0.00 2.41 0.00 -0.59 0.28 119.26 123.72 3hxz h ALA 367 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hxz h ALA 367 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hxz h ALA 367 CO 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 3hxz h ARG 368 N 0.00 0.00 0.00 0.00 3.08 -1.46 -3.29 114.38 112.71 3hxz h ARG 368 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hxz h ARG 368 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3hxz h ARG 368 CO 0.00 0.03 -0.04 0.25 -1.07 0.00 0.00 179.97 179.15 3hxz n THR 369 N -3.57 0.00 0.33 2.04 -2.24 -0.45 -4.90 114.28 105.48 3hxz n THR 369 Ca -0.02 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 3hxz n THR 369 Cb 0.13 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3hxz n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxz h LEU 370 N 0.00 -1.35 -0.80 3.22 5.85 -1.07 0.57 115.31 121.74 3hxz h LEU 370 Ca 0.00 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hxz h LEU 370 Cb 0.00 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3hxz h LEU 370 CO 0.00 -0.69 0.27 -0.33 -0.34 0.00 0.00 178.44 177.35 3hxz h GLU 371 N -1.05 1.17 -0.72 1.25 5.08 -1.87 -0.07 114.58 118.36 3hxz h GLU 371 Ca -0.07 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3hxz h GLU 371 Cb 0.90 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3hxz h GLU 371 CO -0.02 0.97 0.37 0.00 -1.00 0.00 0.00 179.01 179.32 3hxz h ARG 372 N 1.13 1.03 -0.54 2.33 3.08 -1.88 0.63 114.38 120.16 3hxz h ARG 372 Ca 0.25 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3hxz h ARG 372 Cb 0.26 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3hxz h ARG 372 CO -0.01 0.79 0.06 0.78 -1.07 0.00 0.00 179.97 180.51 3hxz h GLY 373 N 1.01 0.98 1.33 0.04 0.00 -0.45 -1.77 103.07 104.19 3hxz h GLY 373 Ca 0.25 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3hxz h GLY 373 CO -0.04 0.62 0.10 1.41 0.00 0.00 0.00 176.54 178.64 3hxz h LEU 374 N 0.79 0.79 -0.16 3.11 3.38 -0.70 -0.10 115.31 122.42 3hxz h LEU 374 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hxz h LEU 374 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hxz h LEU 374 CO 0.02 0.79 0.09 0.00 0.09 0.00 0.00 178.44 179.43 3hxz h ALA 375 N 1.31 0.20 -0.47 1.53 0.00 -0.66 0.44 119.26 121.61 3hxz h ALA 375 Ca 0.17 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hxz h ALA 375 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3hxz h ALA 375 CO 0.00 -0.28 0.29 1.25 0.00 0.00 0.00 179.25 180.52 3hxz h LEU 376 N 0.16 0.47 -0.68 0.00 5.85 -1.00 0.24 115.31 120.36 3hxz h LEU 376 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hxz h LEU 376 Cb 0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3hxz h LEU 376 CO -0.01 0.34 0.44 0.25 -0.34 0.00 0.00 178.44 179.12 3hxz h LEU 377 N 0.58 0.80 -0.18 2.25 5.85 -0.78 0.65 115.31 124.47 3hxz h LEU 377 Ca 0.19 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hxz h LEU 377 Cb -0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3hxz h LEU 377 CO -0.08 0.59 0.11 0.44 -0.34 0.00 0.00 178.44 179.17 3hxz h ASP 378 N 0.92 0.22 -0.81 1.25 3.32 -0.59 0.19 116.42 120.92 3hxz h ASP 378 Ca 0.25 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.37 3hxz h ASP 378 Cb -0.08 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.34 3hxz h ASP 378 CO -0.05 0.19 0.44 -0.33 -1.72 0.00 0.00 179.24 177.77 3hxz h GLU 379 N 0.23 0.70 -0.10 3.56 5.08 -0.45 0.46 114.58 124.06 3hxz h GLU 379 Ca 0.07 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3hxz h GLU 379 Cb 0.01 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3hxz h GLU 379 CO -0.01 0.46 -0.72 0.93 -1.00 0.00 0.00 179.01 178.67 3hxz h GLU 380 N 0.72 0.46 -0.08 2.33 4.39 -0.58 -3.23 114.58 118.59 3hxz h GLU 380 Ca 0.40 -0.37 -0.20 0.00 0.34 0.00 0.00 59.36 59.53 3hxz h GLU 380 Cb 0.42 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3hxz h GLU 380 CO -0.27 1.00 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.72 3hxz h LEU 381 N 0.32 0.62 -1.99 1.33 3.38 -0.55 -2.04 115.31 116.37 3hxz h LEU 381 Ca -0.03 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.54 3hxz h LEU 381 Cb 1.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hxz h LEU 381 CO 0.13 1.18 0.06 0.00 0.09 0.00 0.00 178.44 179.90 3hxz h ALA 382 N 0.80 2.06 -0.14 1.53 0.00 -0.94 -2.07 119.26 120.50 3hxz h ALA 382 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hxz h ALA 382 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hxz h ALA 382 CO 0.14 -0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.67 3hxz n LYS 383 N -4.52 1.44 -2.16 0.00 2.85 -1.22 -5.00 118.16 109.55 3hxz n LYS 383 Ca -0.01 -1.52 -0.42 0.00 -1.05 0.00 0.00 58.31 55.32 3hxz n LYS 383 Cb 0.16 -1.25 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 3hxz n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxz s LEU 384 N -0.98 4.40 -0.27 -5.58 2.96 -0.77 -5.01 118.68 113.42 3hxz s LEU 384 Ca 0.18 2.42 -0.08 0.00 -0.22 0.00 0.00 54.13 56.43 3hxz s LEU 384 Cb 0.11 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 3hxz s LEU 384 CO 0.15 -0.60 0.09 -0.55 -1.32 0.00 0.00 176.35 174.12 3hxz s SER 385 N 0.62 5.20 0.00 3.68 0.15 -1.26 -5.00 113.70 117.10 3hxz s SER 385 Ca 0.60 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.87 3hxz s SER 385 Cb -0.38 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 3hxz s SER 385 CO 0.36 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3hxz n GLY 386 N 4.92 -0.75 0.72 9.45 0.00 -1.26 -4.81 105.19 113.46 3hxz n GLY 386 Ca -0.15 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.73 3hxz n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxz n ASP 387 N 0.00 3.13 -3.83 1.61 5.75 -1.26 -4.95 116.55 117.00 3hxz n ASP 387 Ca 0.00 -2.14 -0.23 0.00 -0.01 0.00 0.00 54.79 52.41 3hxz n ASP 387 Cb 0.00 -0.29 -0.17 0.00 -1.03 0.00 0.00 41.12 39.63 3hxz n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxz s THR 388 N -1.26 0.55 0.19 2.12 2.01 -1.26 0.10 115.64 118.08 3hxz s THR 388 Ca 0.27 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 3hxz s THR 388 Cb 0.16 -0.64 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 3hxz s THR 388 CO 0.16 0.27 1.34 -0.22 -0.69 0.00 0.00 174.62 175.48 3hxz s LEU 389 N 1.66 4.40 0.58 4.42 2.96 0.91 -4.85 118.68 128.76 3hxz s LEU 389 Ca 0.01 2.41 -0.19 0.00 -0.22 0.00 0.00 54.13 56.14 3hxz s LEU 389 Cb -0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3hxz s LEU 389 CO -0.04 -0.57 1.17 1.51 -1.32 0.00 0.00 176.35 177.10 3hxz s ASP 390 N 0.49 5.40 0.45 3.68 -4.77 -1.26 -0.93 116.67 119.73 3hxz s ASP 390 Ca 0.58 2.29 0.14 0.00 -3.30 0.00 0.00 52.55 52.27 3hxz s ASP 390 Cb -0.37 -2.59 1.01 0.00 -1.09 0.00 0.00 42.92 39.88 3hxz s ASP 390 CO 0.37 -1.45 2.00 1.23 0.70 0.00 0.00 175.17 178.03 3hxz h GLY 391 N 0.98 0.02 1.06 2.12 0.00 -1.84 -2.69 103.07 102.72 3hxz h GLY 391 Ca -0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3hxz h GLY 391 CO 0.56 0.01 0.12 -2.09 0.00 0.00 0.00 176.54 175.14 3hxz h GLU 392 N 0.02 1.09 -0.25 4.80 4.81 -1.92 0.21 114.58 123.35 3hxz h GLU 392 Ca 0.00 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3hxz h GLU 392 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hxz h GLU 392 CO 0.02 0.99 -0.13 1.15 -0.73 0.00 0.00 179.01 180.31 3hxz h THR 393 N 1.01 1.30 -0.69 0.32 2.02 -1.89 0.07 112.91 115.05 3hxz h THR 393 Ca 0.20 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.23 3hxz h THR 393 Cb 0.42 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 3hxz h THR 393 CO 0.01 0.38 0.39 0.00 0.37 0.00 0.00 175.52 176.67 3hxz h ALA 394 N 0.72 0.94 -0.41 6.16 0.00 -1.36 -0.73 119.26 124.57 3hxz h ALA 394 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3hxz h ALA 394 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hxz h ALA 394 CO 0.04 0.06 -0.17 0.35 0.00 0.00 0.00 179.25 179.53 3hxz h PHE 395 N 0.71 0.87 -0.56 0.00 3.57 -0.80 -1.88 116.94 118.85 3hxz h PHE 395 Ca 0.31 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3hxz h PHE 395 Cb 0.21 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hxz h PHE 395 CO -0.08 0.89 0.12 -0.09 -2.23 0.00 0.00 178.31 176.93 3hxz h ARG 396 N 0.70 0.91 -0.67 1.11 2.43 -0.44 0.33 114.38 118.75 3hxz h ARG 396 Ca 0.11 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3hxz h ARG 396 Cb 0.67 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3hxz h ARG 396 CO 0.05 0.86 0.37 -0.07 -1.51 0.00 0.00 179.97 179.67 3hxz h LEU 397 N 0.81 0.83 0.25 3.80 3.38 -1.02 0.29 115.31 123.65 3hxz h LEU 397 Ca 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hxz h LEU 397 Cb 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hxz h LEU 397 CO 0.01 0.67 -0.12 0.22 0.09 0.00 0.00 178.44 179.31 3hxz h TYR 398 N 0.94 -0.31 -0.22 1.13 3.20 -0.90 -0.60 116.97 120.21 3hxz h TYR 398 Ca 0.24 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.89 3hxz h TYR 398 Cb 0.03 0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.41 3hxz h TYR 398 CO 0.01 0.05 -0.67 0.22 -1.64 0.00 0.00 178.16 176.12 3hxz h ASP 399 N -0.74 0.97 0.09 -2.11 3.58 -0.20 -2.08 116.42 115.93 3hxz h ASP 399 Ca -0.03 -0.58 -0.35 0.00 0.42 0.00 0.00 57.03 56.49 3hxz h ASP 399 Cb 0.50 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3hxz h ASP 399 CO 0.06 1.38 -1.91 0.41 -2.88 0.00 0.00 179.24 176.30 3hxz n THR 400 N -3.97 1.72 0.74 2.25 -1.04 0.08 -4.56 114.28 109.50 3hxz n THR 400 Ca -0.06 -0.53 0.08 0.00 -2.04 0.00 0.00 64.05 61.50 3hxz n THR 400 Cb 0.69 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3hxz n THR 400 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hxz n TYR 401 N -3.65 0.00 -2.20 -1.42 4.01 -0.81 -4.98 117.16 108.10 3hxz n TYR 401 Ca -0.33 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.31 3hxz n TYR 401 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.00 3hxz n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxz n GLY 402 N 1.16 -0.05 3.55 2.72 0.00 -0.68 -4.73 105.19 107.16 3hxz n GLY 402 Ca 0.07 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3hxz n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxz s PHE 403 N -2.51 2.97 0.62 1.61 0.40 -0.32 -4.94 117.98 115.80 3hxz s PHE 403 Ca 0.00 0.28 -0.19 0.00 -0.60 0.00 0.00 56.93 56.42 3hxz s PHE 403 Cb -0.00 -3.78 -0.03 0.00 0.51 0.00 0.00 43.02 39.72 3hxz s PHE 403 CO 0.00 -1.02 1.22 -2.30 0.70 0.00 0.00 175.22 173.82 3hxz n PRO 404 N 6.89 1.17 0.08 0.24 -0.02 -1.26 -3.36 135.00 138.74 3hxz n PRO 404 Ca 0.04 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3hxz n PRO 404 Cb 0.48 -2.44 0.49 0.00 -0.02 0.00 0.00 33.50 32.01 3hxz n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxz h VAL 405 N 0.70 1.07 0.00 -1.45 3.04 -1.96 -1.53 116.25 116.12 3hxz h VAL 405 Ca -0.50 -0.13 -0.11 0.00 -1.01 0.00 0.00 66.70 64.95 3hxz h VAL 405 Cb 1.34 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 3hxz h VAL 405 CO 0.53 0.07 -0.52 -2.24 -1.01 0.00 0.00 177.57 174.40 3hxz h ASP 406 N 0.39 0.00 -0.30 3.17 3.04 -1.98 -0.46 116.42 120.28 3hxz h ASP 406 Ca 0.11 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.80 3hxz h ASP 406 Cb -0.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.25 3hxz h ASP 406 CO -0.02 0.52 -0.21 0.25 -2.04 0.00 0.00 179.24 177.74 3hxz h LEU 407 N 0.00 0.71 -0.49 0.15 6.46 -1.65 -0.91 115.31 119.58 3hxz h LEU 407 Ca -0.01 -0.44 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 3hxz h LEU 407 Cb 1.09 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 3hxz h LEU 407 CO 0.07 0.99 0.23 0.74 -0.62 0.00 0.00 178.44 179.84 3hxz h THR 408 N 0.43 1.20 -0.54 1.05 2.02 -1.28 -2.41 112.91 113.38 3hxz h THR 408 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3hxz h THR 408 Cb 0.75 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3hxz h THR 408 CO 0.06 0.22 0.26 0.00 0.37 0.00 0.00 175.52 176.42 3hxz h ALA 409 N 1.07 1.44 -0.36 6.16 0.00 -1.04 -1.84 119.26 124.69 3hxz h ALA 409 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hxz h ALA 409 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hxz h ALA 409 CO -0.02 0.44 0.16 0.22 0.00 0.00 0.00 179.25 180.06 3hxz h ASP 410 N 0.75 0.48 -0.37 0.00 3.58 -0.83 0.94 116.42 120.97 3hxz h ASP 410 Ca 0.19 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3hxz h ASP 410 Cb 0.08 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3hxz h ASP 410 CO -0.03 0.48 0.17 0.58 -2.88 0.00 0.00 179.24 177.57 3hxz h VAL 411 N 0.44 1.18 -0.49 2.25 2.07 -1.22 -3.02 116.25 117.47 3hxz h VAL 411 Ca 0.12 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3hxz h VAL 411 Cb 0.14 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3hxz h VAL 411 CO -0.01 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 3hxz h ARG 413 N 0.77 0.78 0.00 0.00 2.43 -0.68 0.13 114.38 117.81 3hxz h ARG 413 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hxz h ARG 413 Cb 0.53 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hxz h ARG 413 CO 0.03 0.52 0.00 0.93 -1.51 0.00 0.00 179.97 179.93 3hxz h GLU 414 N 0.80 0.00 -0.14 0.20 5.08 -1.38 -1.73 114.58 117.42 3hxz h GLU 414 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3hxz h GLU 414 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hxz h GLU 414 CO -0.06 0.00 -0.02 0.54 -1.00 0.00 0.00 179.01 178.47 3hxz n ARG 415 N -2.57 2.07 -3.19 2.33 1.74 -0.33 -4.96 116.66 111.76 3hxz n ARG 415 Ca -0.00 -2.75 -0.23 0.00 -0.77 0.00 0.00 57.85 54.10 3hxz n ARG 415 Cb 0.16 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 29.97 3hxz n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxz n ASN 416 N -0.99 -6.09 -4.34 0.55 3.02 -0.65 -5.00 115.26 101.76 3hxz n ASN 416 Ca 0.19 -0.36 -0.32 0.00 -0.03 0.00 0.00 54.58 54.06 3hxz n ASN 416 Cb 0.78 -4.89 -0.15 0.00 -0.61 0.00 0.00 39.78 34.90 3hxz n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxz s ILE 417 N -3.21 2.44 0.55 2.41 -1.09 0.30 -4.96 121.20 117.65 3hxz s ILE 417 Ca 0.38 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3hxz s ILE 417 Cb -0.17 -1.92 0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3hxz s ILE 417 CO 0.47 0.57 0.77 -0.54 -1.23 0.00 0.00 174.94 174.99 3hxz s LYS 418 N -0.33 2.52 -0.05 2.79 1.02 0.11 -2.92 119.74 122.89 3hxz s LYS 418 Ca 0.02 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.24 3hxz s LYS 418 Cb -0.13 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3hxz s LYS 418 CO 0.02 -0.72 -0.23 0.08 -0.92 0.00 0.00 175.35 173.58 3hxz s VAL 419 N -2.75 1.91 -0.99 3.17 1.01 -1.26 -0.06 120.40 121.42 3hxz s VAL 419 Ca 0.58 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3hxz s VAL 419 Cb -0.10 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 3hxz s VAL 419 CO 0.38 0.54 1.73 -0.62 0.00 0.00 0.00 175.10 177.13 3hxz s ASP 420 N -0.14 5.78 0.23 3.32 2.15 -0.10 -4.81 116.67 123.11 3hxz s ASP 420 Ca -0.03 -1.17 -0.06 0.00 0.43 0.00 0.00 52.55 51.72 3hxz s ASP 420 Cb -0.13 -2.57 0.22 0.00 -0.30 0.00 0.00 42.92 40.14 3hxz s ASP 420 CO 0.03 -2.18 1.78 -0.33 -0.17 0.00 0.00 175.17 174.30 3hxz h GLU 421 N 10.35 1.07 -0.77 4.34 4.39 -1.97 -1.63 114.58 130.36 3hxz h GLU 421 Ca 0.17 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3hxz h GLU 421 Cb 0.99 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 3hxz h GLU 421 CO 1.31 0.91 0.40 0.00 -1.16 0.00 0.00 179.01 180.48 3hxz h ALA 422 N 1.20 0.99 -0.59 3.43 0.00 -1.99 -1.11 119.26 121.19 3hxz h ALA 422 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hxz h ALA 422 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hxz h ALA 422 CO -0.01 0.53 0.12 0.78 0.00 0.00 0.00 179.25 180.67 3hxz h GLY 423 N 1.08 1.04 1.00 0.00 0.00 -1.84 -0.13 103.07 104.22 3hxz h GLY 423 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hxz h GLY 423 CO -0.04 0.63 0.23 -2.75 0.00 0.00 0.00 176.54 174.60 3hxz h PHE 424 N 0.87 0.44 -0.27 5.60 3.04 -1.08 -0.81 116.94 124.73 3hxz h PHE 424 Ca 0.18 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 3hxz h PHE 424 Cb 0.39 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 3hxz h PHE 424 CO 0.03 0.29 -0.15 0.93 -2.02 0.00 0.00 178.31 177.39 3hxz h GLU 425 N 0.47 0.47 -0.56 1.11 5.08 -1.00 -0.24 114.58 119.91 3hxz h GLU 425 Ca 0.13 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3hxz h GLU 425 Cb -0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3hxz h GLU 425 CO -0.03 0.62 -0.05 0.00 -1.00 0.00 0.00 179.01 178.56 3hxz h ALA 426 N 1.41 0.76 -0.63 3.43 0.00 -0.76 -0.95 119.26 122.52 3hxz h ALA 426 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3hxz h ALA 426 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hxz h ALA 426 CO 0.03 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.99 3hxz h ALA 427 N 0.95 0.95 -0.40 0.00 0.00 -0.71 -0.42 119.26 119.62 3hxz h ALA 427 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hxz h ALA 427 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hxz h ALA 427 CO 0.04 0.65 0.20 0.52 0.00 0.00 0.00 179.25 180.66 3hxz h MET 428 N 0.98 0.57 -0.51 0.00 2.07 -0.90 -2.48 114.93 114.66 3hxz h MET 428 Ca 0.19 -0.08 -0.10 0.00 -2.07 0.00 0.00 59.70 57.64 3hxz h MET 428 Cb 0.45 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 3hxz h MET 428 CO 0.02 0.49 -0.09 1.49 1.07 0.00 0.00 176.91 179.89 3hxz h GLU 429 N 0.51 0.94 -0.90 1.72 4.57 -0.94 -1.54 114.58 118.94 3hxz h GLU 429 Ca 0.14 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3hxz h GLU 429 Cb 0.10 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 3hxz h GLU 429 CO -0.02 0.98 0.58 0.93 -1.18 0.00 0.00 179.01 180.30 3hxz h GLU 430 N 0.85 1.07 -0.31 1.92 5.08 -0.99 -0.97 114.58 121.22 3hxz h GLU 430 Ca 0.14 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3hxz h GLU 430 Cb 0.62 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hxz h GLU 430 CO 0.04 0.71 -0.37 0.37 -1.00 0.00 0.00 179.01 178.76 3hxz h GLN 431 N 1.10 0.71 -0.78 2.33 4.15 -1.08 -1.83 115.11 119.71 3hxz h GLN 431 Ca 0.37 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hxz h GLN 431 Cb 0.05 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3hxz h GLN 431 CO -0.13 0.97 0.32 0.00 -1.93 0.00 0.00 178.83 178.06 3hxz h ARG 432 N 0.59 1.15 -0.65 1.69 3.08 -0.87 -0.81 114.38 118.56 3hxz h ARG 432 Ca 0.06 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3hxz h ARG 432 Cb 0.90 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3hxz h ARG 432 CO 0.08 0.92 0.33 0.00 -1.07 0.00 0.00 179.97 180.24 3hxz h ARG 433 N 1.13 0.92 -0.81 0.04 2.47 -0.93 -0.30 114.38 116.91 3hxz h ARG 433 Ca 0.26 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 3hxz h ARG 433 Cb 0.19 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 3hxz h ARG 433 CO -0.02 0.71 0.40 0.00 0.56 0.00 0.00 179.97 181.62 3hxz h ARG 434 N 0.89 1.15 -0.52 0.04 3.08 -1.01 -0.22 114.38 117.80 3hxz h ARG 434 Ca 0.23 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3hxz h ARG 434 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3hxz h ARG 434 CO -0.03 0.88 0.19 0.00 -1.07 0.00 0.00 179.97 179.94 3hxz h ALA 435 N 1.21 0.68 -0.53 0.04 0.00 -0.70 -1.21 119.26 118.74 3hxz h ALA 435 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hxz h ALA 435 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hxz h ALA 435 CO -0.04 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.63 3hxz h ARG 436 N 0.70 0.87 -0.54 0.00 3.08 -0.80 -0.44 114.38 117.24 3hxz h ARG 436 Ca 0.17 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hxz h ARG 436 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3hxz h ARG 436 CO -0.01 0.83 0.34 1.49 -1.07 0.00 0.00 179.97 181.55 3hxz h GLU 437 N 0.76 0.72 -0.18 0.04 4.81 -0.85 -0.84 114.58 119.04 3hxz h GLU 437 Ca 0.17 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 3hxz h GLU 437 Cb 0.36 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3hxz h GLU 437 CO 0.00 0.50 -0.69 0.00 -0.73 0.00 0.00 179.01 178.10 3hxz h ALA 438 N 1.18 0.43 -0.04 2.92 0.00 -1.12 -3.31 119.26 119.33 3hxz h ALA 438 Ca 0.20 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 3hxz h ALA 438 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hxz h ALA 438 CO -0.04 0.69 -0.78 1.03 0.00 0.00 0.00 179.25 180.15 3hxz h SER 439 N 0.53 0.37 0.00 0.00 0.87 -0.96 -3.49 113.55 110.87 3hxz h SER 439 Ca -0.03 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3hxz h SER 439 Cb 1.30 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3hxz h SER 439 CO 0.14 1.01 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 3hxz n GLY 440 N 0.66 -0.01 0.00 5.77 0.00 -0.33 -5.08 105.19 106.20 3hxz n GLY 440 Ca -0.04 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.86 3hxz n GLY 440 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65