#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxx s LYS 2 N 0.00 4.10 0.61 4.33 1.02 -1.26 -5.05 119.74 123.48 3hxx s LYS 2 Ca 0.00 1.26 -0.10 0.00 0.02 0.00 0.00 55.97 57.15 3hxx s LYS 2 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3hxx s LYS 2 CO 0.00 -0.16 1.01 -1.54 -0.92 0.00 0.00 175.35 173.74 3hxx s SER 3 N -2.00 6.21 0.26 2.83 1.04 -1.26 -4.81 113.70 115.97 3hxx s SER 3 Ca 0.63 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.40 3hxx s SER 3 Cb -0.14 -2.43 0.53 0.00 0.10 0.00 0.00 66.02 64.09 3hxx s SER 3 CO 0.18 -0.86 1.74 0.74 0.98 0.00 0.00 173.24 176.02 3hxx h THR 4 N -0.28 0.67 -0.72 2.02 2.02 -1.96 0.60 112.91 115.25 3hxx h THR 4 Ca -0.44 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hxx h THR 4 Cb 1.19 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3hxx h THR 4 CO 0.62 0.10 0.47 0.00 0.37 0.00 0.00 175.52 177.08 3hxx h ALA 5 N 1.57 0.92 -0.24 6.16 0.00 -1.92 0.25 119.26 126.00 3hxx h ALA 5 Ca 0.46 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3hxx h ALA 5 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hxx h ALA 5 CO -0.40 0.34 -0.27 0.93 0.00 0.00 0.00 179.25 179.85 3hxx h GLU 6 N 0.98 0.46 -0.23 0.00 5.08 -1.51 -2.29 114.58 117.07 3hxx h GLU 6 Ca 0.26 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3hxx h GLU 6 Cb -0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3hxx h GLU 6 CO -0.06 0.70 -0.14 0.82 -1.00 0.00 0.00 179.01 179.33 3hxx h ILE 7 N 0.41 1.31 -0.51 3.13 2.04 -0.43 -0.25 117.51 123.21 3hxx h ILE 7 Ca 0.06 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.76 3hxx h ILE 7 Cb 0.69 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 3hxx h ILE 7 CO 0.05 0.38 0.12 -0.09 0.00 0.00 0.00 178.15 178.62 3hxx h ARG 8 N 0.21 0.26 -0.21 2.37 2.43 -0.87 -1.35 114.38 117.22 3hxx h ARG 8 Ca 0.05 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 3hxx h ARG 8 Cb 0.65 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3hxx h ARG 8 CO 0.04 0.17 -0.57 0.37 -1.51 0.00 0.00 179.97 178.47 3hxx h GLN 9 N 0.27 0.66 -0.82 0.20 5.75 -1.33 -2.78 115.11 117.06 3hxx h GLN 9 Ca 0.26 -0.43 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 3hxx h GLN 9 Cb 0.33 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 3hxx h GLN 9 CO -0.32 1.05 0.37 0.00 -2.65 0.00 0.00 178.83 177.28 3hxx h ALA 10 N 0.86 1.06 -0.04 3.38 0.00 -0.70 0.15 119.26 123.97 3hxx h ALA 10 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hxx h ALA 10 Cb 1.14 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hxx h ALA 10 CO 0.11 0.65 0.02 0.35 0.00 0.00 0.00 179.25 180.39 3hxx h PHE 11 N 1.18 0.07 -0.78 0.00 3.57 -1.20 -0.50 116.94 119.27 3hxx h PHE 11 Ca 0.28 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3hxx h PHE 11 Cb 0.16 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3hxx h PHE 11 CO 0.02 0.19 0.29 -0.07 -2.23 0.00 0.00 178.31 176.50 3hxx h LEU 12 N -0.08 1.11 -0.57 0.59 3.38 -1.23 -2.78 115.31 115.74 3hxx h LEU 12 Ca 0.01 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3hxx h LEU 12 Cb 0.15 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hxx h LEU 12 CO -0.00 1.00 -0.01 0.44 0.09 0.00 0.00 178.44 179.96 3hxx h ASP 13 N 1.15 0.99 -0.31 -0.43 3.32 -0.59 -0.19 116.42 120.36 3hxx h ASP 13 Ca 0.26 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 57.06 3hxx h ASP 13 Cb 0.25 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3hxx h ASP 13 CO -0.02 1.06 -0.02 0.15 -1.72 0.00 0.00 179.24 178.70 3hxx h PHE 14 N 0.90 -0.05 0.04 4.55 3.57 -0.94 -0.62 116.94 124.38 3hxx h PHE 14 Ca 0.16 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.46 3hxx h PHE 14 Cb 0.55 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3hxx h PHE 14 CO 0.04 -0.08 -1.00 0.74 -2.23 0.00 0.00 178.31 175.78 3hxx h PHE 15 N 0.07 0.27 -0.56 0.41 0.04 -1.29 -2.42 116.94 113.45 3hxx h PHE 15 Ca 0.15 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 3hxx h PHE 15 Cb 0.21 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3hxx h PHE 15 CO -0.24 1.06 0.19 1.25 -0.60 0.00 0.00 178.31 179.96 3hxx h HIS 16 N 0.07 0.84 0.00 -0.55 2.76 -0.93 0.94 115.15 118.28 3hxx h HIS 16 Ca -0.06 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3hxx h HIS 16 Cb 1.69 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.40 3hxx h HIS 16 CO 0.03 0.67 0.00 0.66 -1.30 0.00 0.00 177.93 177.99 3hxx h SER 17 N 0.81 0.00 -0.99 3.26 4.64 -0.93 -2.66 113.55 117.68 3hxx h SER 17 Ca 0.19 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.92 3hxx h SER 17 Cb 0.21 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.00 3hxx h SER 17 CO -0.01 0.00 0.74 0.29 -0.87 0.00 0.00 176.83 176.98 3hxx n LYS 18 N -3.07 2.43 -0.99 4.77 4.76 -0.74 -4.90 118.16 120.41 3hxx n LYS 18 Ca 0.02 -3.13 0.00 0.00 -2.87 0.00 0.00 58.31 52.33 3hxx n LYS 18 Cb 0.37 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 3hxx n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxx n GLY 19 N -1.05 0.46 3.79 0.72 0.00 -1.00 -4.99 105.19 103.11 3hxx n GLY 19 Ca 0.61 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.24 3hxx n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxx s HIS 20 N -1.99 3.84 -0.09 1.61 3.76 0.25 -4.80 115.29 117.87 3hxx s HIS 20 Ca 0.00 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.11 3hxx s HIS 20 Cb 0.00 -2.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.00 3hxx s HIS 20 CO 0.00 0.51 1.11 -1.14 -0.85 0.00 0.00 174.74 174.37 3hxx s GLN 21 N -1.27 4.37 -0.21 1.40 2.00 -0.12 -4.10 119.66 121.73 3hxx s GLN 21 Ca 0.35 1.53 -0.29 0.00 -2.00 0.00 0.00 55.36 54.95 3hxx s GLN 21 Cb -0.21 -3.56 0.00 0.00 0.80 0.00 0.00 33.01 30.04 3hxx s GLN 21 CO 0.23 -0.41 1.13 0.08 -0.50 0.00 0.00 175.29 175.82 3hxx s VAL 22 N 2.24 4.52 -0.03 1.34 1.01 -1.26 -1.11 120.40 127.11 3hxx s VAL 22 Ca 0.52 1.83 0.07 0.00 0.00 0.00 0.00 61.98 64.40 3hxx s VAL 22 Cb -0.21 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3hxx s VAL 22 CO 0.19 -0.18 -0.23 -0.69 0.00 0.00 0.00 175.10 174.19 3hxx s VAL 23 N 3.35 2.29 0.60 2.92 1.01 -0.55 -4.95 120.40 125.07 3hxx s VAL 23 Ca 0.48 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3hxx s VAL 23 Cb -0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3hxx s VAL 23 CO 0.10 0.58 1.15 0.00 0.00 0.00 0.00 175.10 176.92 3hxx s ALA 24 N -0.54 2.56 0.38 5.51 0.00 -1.26 -4.36 121.76 124.04 3hxx s ALA 24 Ca 0.08 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 3hxx s ALA 24 Cb -0.11 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 3hxx s ALA 24 CO 0.00 -1.08 1.29 0.45 0.00 0.00 0.00 175.76 176.42 3hxx n SER 25 N -1.79 2.69 -4.90 0.00 2.88 -1.26 -4.95 113.62 106.29 3hxx n SER 25 Ca 0.12 1.16 -0.29 0.00 -1.33 0.00 0.00 58.87 58.53 3hxx n SER 25 Cb 0.51 -1.50 0.08 0.00 -0.75 0.00 0.00 64.21 62.55 3hxx n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hxx s SER 26 N -0.41 4.69 0.79 -3.46 1.04 -1.26 -5.00 113.70 110.08 3hxx s SER 26 Ca 0.58 0.77 -0.12 0.00 0.48 0.00 0.00 55.95 57.66 3hxx s SER 26 Cb -0.53 -1.33 0.07 0.00 0.10 0.00 0.00 66.02 64.33 3hxx s SER 26 CO 0.60 -1.77 1.12 -0.55 0.98 0.00 0.00 173.24 173.62 3hxx s SER 27 N -4.54 4.07 0.43 7.02 0.15 -1.26 -4.64 113.70 114.93 3hxx s SER 27 Ca 0.61 2.02 0.30 0.00 0.70 0.00 0.00 55.95 59.58 3hxx s SER 27 Cb -0.11 -2.55 1.17 0.00 -1.71 0.00 0.00 66.02 62.83 3hxx s SER 27 CO 0.49 -2.33 1.87 -0.07 1.20 0.00 0.00 173.24 174.39 3hxx h LEU 28 N -1.09 0.00 -8.93 3.45 3.38 -1.91 -3.42 115.31 106.79 3hxx h LEU 28 Ca -0.44 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 3hxx h LEU 28 Cb 1.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 3hxx h LEU 28 CO 0.48 0.00 -0.22 -0.69 0.09 0.00 0.00 178.44 178.11 3hxx s VAL 29 N -3.51 5.16 0.09 1.22 1.01 -1.26 -1.19 120.40 121.92 3hxx s VAL 29 Ca 0.03 0.57 -0.32 0.00 0.00 0.00 0.00 61.98 62.26 3hxx s VAL 29 Cb 0.09 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 3hxx s VAL 29 CO 0.50 0.14 1.83 -2.65 0.00 0.00 0.00 175.10 174.91 3hxx n PRO 30 N 5.36 2.63 0.26 2.72 -0.02 -1.26 -4.90 135.00 139.78 3hxx n PRO 30 Ca -0.08 0.96 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 3hxx n PRO 30 Cb 0.51 -2.83 -0.09 0.00 -0.02 0.00 0.00 33.50 31.06 3hxx n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hxx h HIS 31 N 8.52 -1.29 -2.05 6.00 -0.00 -1.96 -3.35 115.15 121.03 3hxx h HIS 31 Ca -0.47 0.01 -0.53 0.00 -0.00 0.00 0.00 60.37 59.39 3hxx h HIS 31 Cb 1.24 0.51 -0.40 0.00 -0.00 0.00 0.00 27.41 28.75 3hxx h HIS 31 CO 0.80 -0.62 -1.06 -1.71 -0.00 0.00 0.00 177.93 175.33 3hxx n ASN 32 N -5.53 1.24 -3.51 3.26 2.85 -1.26 -5.00 115.26 107.30 3hxx n ASN 32 Ca -0.11 -3.01 -0.20 0.00 -0.11 0.00 0.00 54.58 51.15 3hxx n ASN 32 Cb 0.43 -0.62 -0.14 0.00 1.24 0.00 0.00 39.78 40.69 3hxx n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hxx s ASP 33 N -2.14 1.60 0.57 1.20 -1.08 -1.26 -4.99 116.67 110.57 3hxx s ASP 33 Ca 0.39 -0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.36 3hxx s ASP 33 Cb 0.27 0.25 1.64 0.00 -1.46 0.00 0.00 42.92 43.62 3hxx s ASP 33 CO -0.09 -0.33 2.21 -0.65 0.52 0.00 0.00 175.17 176.83 3hxx h PRO 34 N 8.33 0.00 -0.12 4.34 0.11 -1.94 -3.22 132.00 139.50 3hxx h PRO 34 Ca -0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.89 3hxx h PRO 34 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hxx h PRO 34 CO 0.29 0.00 -0.15 1.15 -0.21 0.00 0.00 178.00 179.07 3hxx h THR 35 N 0.00 1.37 -3.36 -1.15 2.02 -2.00 -3.44 112.91 106.34 3hxx h THR 35 Ca 0.01 -1.36 -0.57 0.00 0.77 0.00 0.00 66.41 65.26 3hxx h THR 35 Cb 0.04 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 3hxx h THR 35 CO -0.00 0.39 0.09 -0.22 0.37 0.00 0.00 175.52 176.15 3hxx s LEU 36 N -9.04 4.27 -0.01 2.58 2.96 -1.22 -4.99 118.68 113.23 3hxx s LEU 36 Ca -0.14 1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.67 3hxx s LEU 36 Cb 0.04 -3.01 -0.10 0.00 0.50 0.00 0.00 46.19 43.62 3hxx s LEU 36 CO 0.75 -0.15 0.82 0.25 -1.32 0.00 0.00 176.35 176.69 3hxx h LEU 37 N 7.13 -0.55 -8.35 -0.68 5.85 -1.87 -3.44 115.31 113.39 3hxx h LEU 37 Ca -0.38 0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.03 3hxx h LEU 37 Cb 1.18 0.14 -0.20 0.00 0.37 0.00 0.00 40.66 42.16 3hxx h LEU 37 CO 0.76 -0.20 -0.74 -0.36 -0.34 0.00 0.00 178.44 177.56 3hxx s PHE 38 N -3.73 0.98 -0.14 1.25 0.08 -1.26 -4.57 117.98 110.59 3hxx s PHE 38 Ca -0.09 -0.57 -0.36 0.00 0.12 0.00 0.00 56.93 56.03 3hxx s PHE 38 Cb 0.01 -0.55 -0.13 0.00 -0.57 0.00 0.00 43.02 41.78 3hxx s PHE 38 CO 0.28 -0.02 1.84 2.41 -0.10 0.00 0.00 175.22 179.64 3hxx n THR 39 N 1.00 0.49 -0.21 0.64 -1.04 -0.33 -4.81 114.28 110.03 3hxx n THR 39 Ca -0.19 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3hxx n THR 39 Cb 0.56 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3hxx n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hxx n ASN 40 N 6.23 1.28 -3.55 8.00 0.23 -1.26 -0.90 115.26 125.29 3hxx n ASN 40 Ca 0.24 -1.49 -0.13 0.00 -0.53 0.00 0.00 54.58 52.66 3hxx n ASN 40 Cb 0.25 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.90 3hxx n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxx s ALA 41 N -0.49 -1.35 0.11 -2.53 0.00 -1.26 -4.86 121.76 111.38 3hxx s ALA 41 Ca 0.00 0.52 0.33 0.00 0.00 0.00 0.00 51.96 52.81 3hxx s ALA 41 Cb 0.00 0.51 1.60 0.00 0.00 0.00 0.00 23.12 25.23 3hxx s ALA 41 CO 0.00 -0.57 1.99 0.78 0.00 0.00 0.00 175.76 177.96 3hxx h GLY 42 N 2.57 0.00 2.00 0.00 0.00 -1.89 -3.14 103.07 102.62 3hxx h GLY 42 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 3hxx h GLY 42 CO 0.41 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 176.40 3hxx h MET 43 N 0.00 0.00 -0.78 4.80 -0.00 -1.96 -3.38 114.93 113.62 3hxx h MET 43 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 59.85 3hxx h MET 43 Cb 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.72 3hxx h MET 43 CO 0.00 0.56 0.32 -0.91 -0.00 0.00 0.00 176.91 176.88 3hxx h ASN 44 N 0.00 0.30 0.91 -0.10 -0.26 -1.98 0.30 115.58 114.75 3hxx h ASN 44 Ca -0.01 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hxx h ASN 44 Cb 1.15 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 3hxx h ASN 44 CO 0.07 0.10 0.00 0.06 -1.06 0.00 0.00 177.43 176.61 3hxx h GLN 45 N 0.46 0.00 -0.36 0.81 3.07 -1.85 -2.55 115.11 114.69 3hxx h GLN 45 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 3hxx h GLN 45 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.23 3hxx h GLN 45 CO -0.41 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.70 3hxx n PHE 46 N -2.39 0.47 -0.22 0.06 3.72 0.97 -4.72 117.46 115.36 3hxx n PHE 46 Ca 0.02 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3hxx n PHE 46 Cb 0.28 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.88 3hxx n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxx h LYS 47 N 3.32 0.02 0.00 -1.08 3.64 -0.92 -0.12 116.57 121.42 3hxx h LYS 47 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hxx h LYS 47 Cb 0.82 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3hxx h LYS 47 CO 0.00 0.01 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.72 3hxx h ASP 48 N 0.02 0.00 -0.17 4.20 3.32 -1.84 -2.26 116.42 119.68 3hxx h ASP 48 Ca 0.32 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.20 3hxx h ASP 48 Cb 0.50 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3hxx h ASP 48 CO -0.65 0.03 -0.57 0.58 -1.72 0.00 0.00 179.24 176.91 3hxx h VAL 49 N 0.00 1.31 -0.28 -1.35 2.07 -1.18 0.10 116.25 116.92 3hxx h VAL 49 Ca -0.00 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 3hxx h VAL 49 Cb 0.74 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3hxx h VAL 49 CO 0.00 0.56 -0.10 -0.26 0.02 0.00 0.00 177.57 177.79 3hxx h PHE 50 N 0.39 0.49 0.00 1.57 0.04 -1.11 -2.27 116.94 116.05 3hxx h PHE 50 Ca -0.02 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3hxx h PHE 50 Cb 1.19 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 3hxx h PHE 50 CO 0.09 0.56 -0.16 -0.07 -0.60 0.00 0.00 178.31 178.13 3hxx h LEU 51 N 0.43 0.00 0.00 1.54 3.38 -1.36 -3.45 115.31 115.85 3hxx h LEU 51 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hxx h LEU 51 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hxx h LEU 51 CO 0.02 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3hxx n GLY 52 N 0.37 0.74 0.08 0.83 0.00 -0.79 -4.67 105.19 101.76 3hxx n GLY 52 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 3hxx n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hxx h LEU 53 N 0.00 0.00 -8.52 0.99 3.38 -1.27 -3.46 115.31 106.43 3hxx h LEU 53 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3hxx h LEU 53 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 3hxx h LEU 53 CO 0.00 0.86 -0.88 -0.62 0.09 0.00 0.00 178.44 177.89 3hxx s ASP 54 N -6.12 2.92 -0.05 -0.43 2.15 -0.49 -4.98 116.67 109.66 3hxx s ASP 54 Ca -0.03 -0.47 0.05 0.00 0.43 0.00 0.00 52.55 52.54 3hxx s ASP 54 Cb 0.08 -0.53 -0.02 0.00 -0.30 0.00 0.00 42.92 42.16 3hxx s ASP 54 CO 0.82 0.27 -0.21 -1.59 -0.17 0.00 0.00 175.17 174.29 3hxx s LYS 55 N -0.39 2.46 0.20 4.34 0.00 -1.26 -3.98 119.74 121.11 3hxx s LYS 55 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 55.97 55.25 3hxx s LYS 55 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 37.83 35.44 3hxx s LYS 55 CO 0.01 0.51 0.12 1.03 0.00 0.00 0.00 175.35 177.02 3hxx s ARG 56 N -0.47 2.77 0.53 1.78 1.81 -1.26 -5.00 118.95 119.11 3hxx s ARG 56 Ca 0.06 -1.02 0.30 0.00 -1.72 0.00 0.00 55.73 53.35 3hxx s ARG 56 Cb -0.12 -2.52 1.41 0.00 -0.45 0.00 0.00 34.95 33.27 3hxx s ARG 56 CO 0.01 0.44 2.02 -2.95 -0.68 0.00 0.00 175.30 174.14 3hxx h ASN 57 N 2.12 0.00 -3.40 0.23 -1.07 -2.02 -3.43 115.58 108.00 3hxx h ASN 57 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 55.24 3hxx h ASN 57 Cb 1.22 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.34 3hxx h ASN 57 CO 0.61 0.10 -0.68 -0.72 0.07 0.00 0.00 177.43 176.82 3hxx s TYR 58 N -3.91 2.95 -1.51 4.14 -0.85 -1.26 -5.02 117.35 111.89 3hxx s TYR 58 Ca -0.01 -0.04 0.20 0.00 -0.52 0.00 0.00 57.07 56.70 3hxx s TYR 58 Cb 0.11 -1.54 -0.08 0.00 0.38 0.00 0.00 41.96 40.84 3hxx s TYR 58 CO 0.57 0.46 0.93 -1.13 -1.52 0.00 0.00 175.55 174.86 3hxx n SER 59 N 0.73 1.55 -3.80 -0.18 3.41 -1.26 -4.91 113.62 109.16 3hxx n SER 59 Ca -0.12 -1.28 -0.13 0.00 -0.26 0.00 0.00 58.87 57.09 3hxx n SER 59 Cb 0.52 0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 65.00 3hxx n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxx s ARG 60 N -2.44 0.21 0.15 4.33 1.70 -1.26 -0.28 118.95 121.36 3hxx s ARG 60 Ca 0.13 0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 55.67 3hxx s ARG 60 Cb 0.16 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3hxx s ARG 60 CO 0.60 -0.04 0.07 0.00 -1.08 0.00 0.00 175.30 174.85 3hxx s ALA 61 N 0.22 0.99 -0.19 7.88 0.00 -0.28 -0.94 121.76 129.44 3hxx s ALA 61 Ca -0.01 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.26 3hxx s ALA 61 Cb -0.02 0.94 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3hxx s ALA 61 CO -0.01 -0.49 0.49 -0.08 0.00 0.00 0.00 175.76 175.67 3hxx s THR 62 N -4.02 -0.01 0.07 0.00 -1.32 -0.26 -0.18 115.64 109.92 3hxx s THR 62 Ca 0.27 0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 3hxx s THR 62 Cb 0.07 -0.69 -0.00 0.00 -1.51 0.00 0.00 72.50 70.37 3hxx s THR 62 CO 0.04 0.01 0.18 0.42 -2.21 0.00 0.00 174.62 173.06 3hxx s THR 63 N 0.62 0.14 -0.38 5.08 -4.23 -0.81 -1.49 115.64 114.56 3hxx s THR 63 Ca -0.03 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3hxx s THR 63 Cb -0.05 -1.21 0.10 0.00 1.34 0.00 0.00 72.50 72.68 3hxx s THR 63 CO -0.04 -0.62 0.16 -0.55 -0.54 0.00 0.00 174.62 173.03 3hxx s SER 64 N -2.61 5.17 -0.17 3.99 0.15 -1.26 -1.17 113.70 117.79 3hxx s SER 64 Ca 0.02 -1.88 -0.17 0.00 0.70 0.00 0.00 55.95 54.61 3hxx s SER 64 Cb 0.03 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 3hxx s SER 64 CO -0.09 -0.48 0.45 -1.58 1.20 0.00 0.00 173.24 172.75 3hxx s GLN 65 N 1.15 4.24 0.02 5.44 2.00 -0.22 -4.26 119.66 128.03 3hxx s GLN 65 Ca 0.06 0.34 -0.30 0.00 -2.00 0.00 0.00 55.36 53.46 3hxx s GLN 65 Cb -0.22 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.04 3hxx s GLN 65 CO -0.04 0.01 1.12 -0.98 -0.50 0.00 0.00 175.29 174.90 3hxx s ARG 66 N 1.13 4.47 0.10 1.67 1.70 -1.26 -0.15 118.95 126.61 3hxx s ARG 66 Ca 0.23 1.63 0.08 0.00 -0.47 0.00 0.00 55.73 57.19 3hxx s ARG 66 Cb -0.15 -3.41 -0.03 0.00 -0.57 0.00 0.00 34.95 30.78 3hxx s ARG 66 CO 0.09 -0.21 -0.20 0.00 -1.08 0.00 0.00 175.30 173.90 3hxx s VAL 68 N -1.18 1.13 -0.58 0.00 1.01 -0.08 -1.16 120.40 119.55 3hxx s VAL 68 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3hxx s VAL 68 Cb -0.10 -1.09 0.15 0.00 0.00 0.00 0.00 36.38 35.34 3hxx s VAL 68 CO 0.04 0.37 0.36 -0.13 0.00 0.00 0.00 175.10 175.74 3hxx s ARG 69 N 1.20 2.30 -0.01 2.72 0.52 -0.34 -4.36 118.95 120.98 3hxx s ARG 69 Ca -0.04 -2.59 0.01 0.00 -0.52 0.00 0.00 55.73 52.59 3hxx s ARG 69 Cb -0.14 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.80 3hxx s ARG 69 CO -0.03 -1.14 0.98 0.00 0.02 0.00 0.00 175.30 175.12 3hxx n ALA 70 N 3.29 1.95 0.00 2.13 0.00 -1.23 -1.03 120.51 125.62 3hxx n ALA 70 Ca 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3hxx n ALA 70 Cb 0.35 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3hxx n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxx n GLY 71 N -0.07 0.48 7.00 0.00 0.00 -1.24 -4.87 105.19 106.49 3hxx n GLY 71 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3hxx n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxx n GLY 72 N -0.07 2.47 0.17 -0.02 0.00 -1.26 -3.56 105.19 102.92 3hxx n GLY 72 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 3hxx n GLY 72 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hxx h LYS 73 N 0.00 -0.34 -4.74 1.61 3.11 -1.98 -3.38 116.57 110.85 3hxx h LYS 73 Ca 0.00 0.02 -0.67 0.00 -2.81 0.00 0.00 60.65 57.20 3hxx h LYS 73 Cb 0.00 0.08 -0.38 0.00 -1.00 0.00 0.00 32.23 30.92 3hxx h LYS 73 CO 0.00 -0.22 -0.73 -1.01 -2.81 0.00 0.00 179.45 174.68 3hxx s HIS 74 N -6.09 3.57 -0.30 1.91 3.76 -1.23 -5.07 115.29 111.84 3hxx s HIS 74 Ca -0.15 -2.69 -0.00 0.00 -0.15 0.00 0.00 55.06 52.07 3hxx s HIS 74 Cb 0.05 -2.59 0.06 0.00 1.11 0.00 0.00 32.58 31.20 3hxx s HIS 74 CO 0.64 -0.92 -0.01 1.21 -0.85 0.00 0.00 174.74 174.81 3hxx s ASN 75 N 1.05 4.80 0.00 1.40 3.84 -1.26 -3.49 114.94 121.28 3hxx s ASN 75 Ca 0.04 -1.40 0.17 0.00 0.21 0.00 0.00 52.86 51.88 3hxx s ASN 75 Cb -0.20 -1.68 0.36 0.00 -0.55 0.00 0.00 41.25 39.19 3hxx s ASN 75 CO -0.06 -0.27 1.28 0.47 -2.79 0.00 0.00 177.10 175.72 3hxx n ASP 76 N 4.55 3.09 -0.34 -4.21 8.00 -0.20 -4.63 116.55 122.82 3hxx n ASP 76 Ca -0.12 -1.90 0.14 0.00 0.71 0.00 0.00 54.79 53.62 3hxx n ASP 76 Cb 0.43 -0.24 0.33 0.00 -0.02 0.00 0.00 41.12 41.63 3hxx n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxx h LEU 77 N 3.24 0.69 -0.38 0.64 5.85 -1.87 0.51 115.31 123.99 3hxx h LEU 77 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hxx h LEU 77 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3hxx h LEU 77 CO 0.00 0.19 -0.08 -0.62 -0.34 0.00 0.00 178.44 177.59 3hxx n GLU 78 N -4.84 0.96 0.08 1.25 -0.58 -1.26 -3.01 120.64 113.24 3hxx n GLU 78 Ca 0.24 -0.38 0.09 0.00 -0.42 0.00 0.00 57.16 56.69 3hxx n GLU 78 Cb 0.62 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 3hxx n GLU 78 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hxx n ASN 79 N -0.69 0.74 -4.66 1.62 3.02 0.15 -4.81 115.26 110.63 3hxx n ASN 79 Ca 0.17 0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.59 3hxx n ASN 79 Cb 0.27 0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 40.00 3hxx n ASN 79 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hxx s VAL 80 N -3.29 3.17 0.00 2.41 1.01 -1.05 -1.39 120.40 121.26 3hxx s VAL 80 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3hxx s VAL 80 Cb 0.10 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3hxx s VAL 80 CO 0.81 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.50 3hxx n GLY 81 N 4.40 0.92 0.04 4.51 0.00 -1.26 -4.85 105.19 108.96 3hxx n GLY 81 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 3hxx n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxx n TYR 82 N -2.00 0.00 -4.01 1.61 4.01 -0.49 -4.78 117.16 111.50 3hxx n TYR 82 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3hxx n TYR 82 Cb 0.00 -0.41 -0.05 0.00 -0.31 0.00 0.00 39.34 38.57 3hxx n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxx s THR 83 N -2.21 3.67 -0.83 -0.72 -4.23 -0.76 -5.02 115.64 105.55 3hxx s THR 83 Ca -0.07 -1.51 0.27 0.00 -1.18 0.00 0.00 61.69 59.19 3hxx s THR 83 Cb 0.03 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.91 3hxx s THR 83 CO 0.31 -0.25 1.71 0.00 -0.54 0.00 0.00 174.62 175.85 3hxx n ALA 84 N -1.22 2.54 -0.10 3.99 0.00 -1.26 -4.36 120.51 120.11 3hxx n ALA 84 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3hxx n ALA 84 Cb 0.59 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hxx n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxx n ARG 85 N -1.93 0.42 -4.88 0.00 1.85 -1.26 -0.81 116.66 110.05 3hxx n ARG 85 Ca 0.06 -0.36 -0.33 0.00 -1.00 0.00 0.00 57.85 56.22 3hxx n ARG 85 Cb 0.39 -0.85 -0.14 0.00 -1.05 0.00 0.00 32.46 30.81 3hxx n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxx s HIS 86 N -0.16 2.74 0.36 2.89 3.76 -1.26 -4.96 115.29 118.66 3hxx s HIS 86 Ca 0.00 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.44 3hxx s HIS 86 Cb 0.00 -1.76 -0.07 0.00 1.11 0.00 0.00 32.58 31.86 3hxx s HIS 86 CO 0.00 -0.12 -0.05 -1.01 -0.85 0.00 0.00 174.74 172.71 3hxx s HIS 87 N 0.02 2.41 -0.08 1.40 3.76 -1.26 -4.49 115.29 117.06 3hxx s HIS 87 Ca -0.05 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 3hxx s HIS 87 Cb -0.15 -1.51 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 3hxx s HIS 87 CO 0.04 0.50 0.12 1.79 -0.85 0.00 0.00 174.74 176.35 3hxx h THR 88 N 1.94 0.00 -3.33 1.30 1.35 -1.85 -3.43 112.91 108.89 3hxx h THR 88 Ca -0.43 -0.82 -0.57 0.00 -0.55 0.00 0.00 66.41 64.05 3hxx h THR 88 Cb 1.25 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.61 3hxx h THR 88 CO 0.74 0.00 0.00 0.12 -0.25 0.00 0.00 175.52 176.14 3hxx s PHE 89 N -1.82 3.62 0.22 4.73 5.36 -1.26 -1.20 117.98 127.63 3hxx s PHE 89 Ca -0.01 1.17 -0.19 0.00 -0.96 0.00 0.00 56.93 56.94 3hxx s PHE 89 Cb 0.00 -2.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.04 3hxx s PHE 89 CO 0.04 0.23 0.59 -0.59 -1.46 0.00 0.00 175.22 174.03 3hxx s PHE 90 N 0.28 -0.15 -0.17 10.12 -0.12 -0.31 -4.90 117.98 122.73 3hxx s PHE 90 Ca 0.33 -0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 56.93 3hxx s PHE 90 Cb -0.18 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3hxx s PHE 90 CO 0.17 -1.02 0.04 -1.21 -0.05 0.00 0.00 175.22 173.14 3hxx s GLU 91 N -3.88 3.90 -0.30 1.99 2.02 -1.26 0.18 118.70 121.35 3hxx s GLU 91 Ca 0.10 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.61 3hxx s GLU 91 Cb -0.03 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 3hxx s GLU 91 CO -0.00 0.27 0.13 1.41 0.02 0.00 0.00 175.26 177.09 3hxx s MET 92 N 0.36 3.40 -0.11 1.61 -2.45 0.79 -1.13 119.30 121.77 3hxx s MET 92 Ca 0.01 -0.67 -0.27 0.00 -1.25 0.00 0.00 55.69 53.52 3hxx s MET 92 Cb -0.13 -3.50 -0.02 0.00 1.25 0.00 0.00 34.83 32.43 3hxx s MET 92 CO 0.01 -0.36 0.86 -0.51 1.05 0.00 0.00 175.02 176.07 3hxx s LEU 93 N 1.61 4.25 0.03 4.11 1.43 0.26 -1.05 118.68 129.32 3hxx s LEU 93 Ca 0.05 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3hxx s LEU 93 Cb -0.17 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 3hxx s LEU 93 CO 0.05 -0.32 -0.08 -0.83 0.23 0.00 0.00 176.35 175.40 3hxx s GLY 94 N 1.04 0.51 0.01 -3.19 0.00 -0.32 0.48 107.32 105.86 3hxx s GLY 94 Ca 0.42 -0.67 0.08 0.00 0.00 0.00 0.00 44.72 44.55 3hxx s GLY 94 CO 0.17 -0.70 -0.25 0.54 0.00 0.00 0.00 173.10 172.87 3hxx s ASN 95 N -1.25 2.92 -0.03 1.64 4.22 -1.25 -1.93 114.94 119.26 3hxx s ASN 95 Ca -0.06 -0.51 0.03 0.00 -2.14 0.00 0.00 52.86 50.18 3hxx s ASN 95 Cb -0.08 -0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.16 3hxx s ASN 95 CO 0.00 0.26 -0.11 -0.36 -2.04 0.00 0.00 177.10 174.86 3hxx s PHE 96 N -0.69 1.14 -0.24 1.54 0.08 0.75 -1.98 117.98 118.59 3hxx s PHE 96 Ca 0.10 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 3hxx s PHE 96 Cb -0.10 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.58 3hxx s PHE 96 CO 0.01 -0.12 -0.10 0.45 -0.10 0.00 0.00 175.22 175.35 3hxx s SER 97 N 0.18 4.08 -0.90 1.36 0.15 -0.43 -1.13 113.70 117.01 3hxx s SER 97 Ca -0.04 -0.94 -0.13 0.00 0.70 0.00 0.00 55.95 55.54 3hxx s SER 97 Cb -0.10 -1.60 0.23 0.00 -1.71 0.00 0.00 66.02 62.85 3hxx s SER 97 CO 0.01 -0.11 0.86 -0.36 1.20 0.00 0.00 173.24 174.83 3hxx s PHE 98 N 1.27 3.87 -1.21 3.44 0.40 0.61 -1.48 117.98 124.88 3hxx s PHE 98 Ca -0.01 -2.14 0.00 0.00 -0.60 0.00 0.00 56.93 54.18 3hxx s PHE 98 Cb -0.17 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.53 3hxx s PHE 98 CO -0.06 -0.99 0.00 0.41 0.70 0.00 0.00 175.22 175.27 3hxx n GLY 99 N 3.71 0.18 0.00 4.36 0.00 -1.26 -4.80 105.19 107.39 3hxx n GLY 99 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3hxx n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxx n ASP 100 N -0.46 0.00 -4.70 1.61 -0.08 -1.26 -5.05 116.55 106.61 3hxx n ASP 100 Ca -0.15 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.78 3hxx n ASP 100 Cb 0.58 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.14 3hxx n ASP 100 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hxx n TYR 101 N 0.00 1.48 0.00 -0.67 0.18 -1.26 -5.00 117.16 111.89 3hxx n TYR 101 Ca 0.00 0.41 0.00 0.00 1.88 0.00 0.00 57.90 60.19 3hxx n TYR 101 Cb 0.00 -2.17 0.00 0.00 -0.38 0.00 0.00 39.34 36.79 3hxx n TYR 101 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3hxx n PHE 102 N -2.69 0.00 0.10 -3.48 7.35 -1.26 -4.58 117.46 112.91 3hxx n PHE 102 Ca 0.14 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.71 3hxx n PHE 102 Cb 0.49 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.26 3hxx n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxx h LYS 103 N 0.00 -0.22 0.13 -4.13 1.57 -1.96 -1.96 116.57 110.01 3hxx h LYS 103 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hxx h LYS 103 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3hxx h LYS 103 CO 0.00 -0.15 -0.06 1.25 -0.57 0.00 0.00 179.45 179.92 3hxx h LEU 104 N -0.23 -0.15 -1.02 2.94 5.85 -1.97 -2.20 115.31 118.52 3hxx h LEU 104 Ca -0.00 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3hxx h LEU 104 Cb 0.21 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hxx h LEU 104 CO -0.01 -0.04 -0.48 0.44 -0.34 0.00 0.00 178.44 178.01 3hxx h ASP 105 N -0.25 0.00 0.05 1.25 3.32 -1.95 -1.28 116.42 117.56 3hxx h ASP 105 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hxx h ASP 105 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hxx h ASP 105 CO 0.03 0.48 -0.03 0.00 -1.72 0.00 0.00 179.24 178.00 3hxx h ALA 106 N 1.52 -0.07 -0.65 3.45 0.00 -1.25 -1.17 119.26 121.10 3hxx h ALA 106 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hxx h ALA 106 Cb 0.87 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hxx h ALA 106 CO 0.06 -0.50 0.23 0.82 0.00 0.00 0.00 179.25 179.86 3hxx h ILE 107 N -0.15 1.23 -0.25 0.00 2.04 -1.19 -2.60 117.51 116.59 3hxx h ILE 107 Ca -0.01 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 3hxx h ILE 107 Cb 0.13 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3hxx h ILE 107 CO 0.01 0.30 -0.16 -0.07 0.00 0.00 0.00 178.15 178.23 3hxx h LEU 108 N 0.94 0.58 -0.48 1.44 3.38 -1.17 -1.45 115.31 118.54 3hxx h LEU 108 Ca 0.22 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hxx h LEU 108 Cb 0.22 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3hxx h LEU 108 CO -0.01 0.88 0.08 -0.26 0.09 0.00 0.00 178.44 179.22 3hxx h PHE 109 N 0.27 0.12 -0.28 1.13 0.05 -1.12 0.84 116.94 117.95 3hxx h PHE 109 Ca 0.05 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.83 3hxx h PHE 109 Cb 0.69 0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.65 3hxx h PHE 109 CO 0.07 -0.02 0.01 0.00 -0.18 0.00 0.00 178.31 178.18 3hxx h ALA 110 N 1.38 0.38 -0.62 2.45 0.00 -1.40 -1.66 119.26 119.79 3hxx h ALA 110 Ca 0.24 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hxx h ALA 110 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hxx h ALA 110 CO -0.33 0.11 0.12 2.35 0.00 0.00 0.00 179.25 181.51 3hxx h TRP 111 N 0.28 1.08 0.41 0.00 2.91 -1.04 -1.81 115.95 117.79 3hxx h TRP 111 Ca 0.08 -0.14 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 3hxx h TRP 111 Cb 0.42 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 3hxx h TRP 111 CO 0.03 0.91 -0.23 1.25 -1.03 0.00 0.00 178.44 179.38 3hxx h LEU 112 N 0.93 -0.57 -0.50 0.65 5.85 -0.74 -0.39 115.31 120.54 3hxx h LEU 112 Ca 0.19 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3hxx h LEU 112 Cb 0.40 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3hxx h LEU 112 CO 0.01 -0.38 0.20 0.25 -0.34 0.00 0.00 178.44 178.18 3hxx h LEU 113 N -0.61 0.23 -0.51 2.25 5.85 -1.21 -0.13 115.31 121.18 3hxx h LEU 113 Ca -0.05 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3hxx h LEU 113 Cb 0.49 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3hxx h LEU 113 CO 0.06 0.16 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.74 3hxx h LEU 114 N 0.39 0.68 0.00 2.25 3.38 -1.25 -0.07 115.31 120.69 3hxx h LEU 114 Ca 0.23 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hxx h LEU 114 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hxx h LEU 114 CO -0.22 1.08 -0.54 0.35 0.09 0.00 0.00 178.44 179.20 3hxx n THR 115 N -3.98 0.00 -2.06 0.22 -2.24 -0.16 -0.47 114.28 105.59 3hxx n THR 115 Ca -0.03 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3hxx n THR 115 Cb 0.59 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 3hxx n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxx s SER 116 N -1.75 6.70 0.50 3.42 0.15 -0.07 -4.19 113.70 118.46 3hxx s SER 116 Ca 0.00 2.75 0.23 0.00 0.70 0.00 0.00 55.95 59.63 3hxx s SER 116 Cb 0.03 -2.65 1.32 0.00 -1.71 0.00 0.00 66.02 63.01 3hxx s SER 116 CO 0.16 -0.60 2.05 -0.33 1.20 0.00 0.00 173.24 175.72 3hxx h GLU 117 N 3.41 0.00 0.00 5.44 4.39 -1.92 -0.08 114.58 125.82 3hxx h GLU 117 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3hxx h GLU 117 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hxx h GLU 117 CO 0.66 0.14 0.00 0.87 -1.16 0.00 0.00 179.01 179.52 3hxx h LYS 118 N 0.00 0.00 0.00 2.33 1.57 -1.93 -3.44 116.57 115.09 3hxx h LYS 118 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hxx h LYS 118 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hxx h LYS 118 CO 0.02 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.81 3hxx n TRP 119 N -2.83 0.00 0.26 -1.35 7.02 -0.32 -5.00 117.44 115.23 3hxx n TRP 119 Ca 0.03 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.65 3hxx n TRP 119 Cb 0.39 0.00 0.63 0.00 -2.42 0.00 0.00 31.31 29.91 3hxx n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxx h PHE 120 N 0.00 0.00 -4.26 -5.99 0.04 -1.03 -3.47 116.94 102.24 3hxx h PHE 120 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 3hxx h PHE 120 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3hxx h PHE 120 CO 0.00 0.09 -0.47 0.00 -0.60 0.00 0.00 178.31 177.33 3hxx n ALA 121 N -2.15 -0.87 -1.77 2.45 0.00 -0.20 -4.89 120.51 113.08 3hxx n ALA 121 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 3hxx n ALA 121 Cb 0.33 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 3hxx n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxx s LEU 122 N -6.11 4.10 0.19 0.00 1.43 0.38 -4.93 118.68 113.74 3hxx s LEU 122 Ca 0.16 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 3hxx s LEU 122 Cb -0.08 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3hxx s LEU 122 CO 0.20 -0.85 1.36 -2.16 0.23 0.00 0.00 176.35 175.13 3hxx s PRO 123 N -2.49 4.34 0.39 1.29 0.04 -1.26 -4.47 135.00 132.85 3hxx s PRO 123 Ca 0.61 2.12 0.15 0.00 0.04 0.00 0.00 61.00 63.92 3hxx s PRO 123 Cb -0.32 -3.18 0.81 0.00 0.04 0.00 0.00 34.50 31.85 3hxx s PRO 123 CO 0.39 -0.34 1.85 0.87 0.04 0.00 0.00 177.00 179.82 3hxx h LYS 124 N 5.62 0.00 0.00 4.56 1.57 -1.93 -2.95 116.57 123.44 3hxx h LYS 124 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3hxx h LYS 124 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hxx h LYS 124 CO 0.80 0.34 0.00 -0.85 -0.57 0.00 0.00 179.45 179.16 3hxx n GLU 125 N -4.00 0.11 0.00 3.15 0.00 -1.26 -2.13 120.64 116.50 3hxx n GLU 125 Ca -0.02 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.61 3hxx n GLU 125 Cb 0.39 -1.72 0.09 0.00 0.00 0.00 0.00 31.44 30.20 3hxx n GLU 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3hxx n ARG 126 N -1.93 0.62 -3.84 3.44 1.74 -1.11 -4.92 116.66 110.66 3hxx n ARG 126 Ca 0.03 -0.47 -0.37 0.00 -0.77 0.00 0.00 57.85 56.28 3hxx n ARG 126 Cb 0.20 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 3hxx n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxx s LEU 127 N -2.70 4.35 0.11 0.55 1.43 -0.91 -1.05 118.68 120.46 3hxx s LEU 127 Ca 0.16 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 3hxx s LEU 127 Cb 0.18 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3hxx s LEU 127 CO 0.66 0.35 -0.17 0.26 0.23 0.00 0.00 176.35 177.68 3hxx s TRP 128 N -0.68 1.59 0.10 0.29 0.52 0.24 -4.96 118.94 116.03 3hxx s TRP 128 Ca 0.13 -0.47 0.05 0.00 0.02 0.00 0.00 56.10 55.84 3hxx s TRP 128 Cb -0.12 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 3hxx s TRP 128 CO 0.03 0.19 -0.13 0.14 0.02 0.00 0.00 176.95 177.19 3hxx s VAL 129 N -1.59 1.17 0.12 4.03 -7.23 -0.58 0.69 120.40 117.02 3hxx s VAL 129 Ca 0.07 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 58.74 3hxx s VAL 129 Cb -0.08 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 3hxx s VAL 129 CO 0.04 -0.40 -0.23 0.42 -0.31 0.00 0.00 175.10 174.62 3hxx s THR 130 N -1.99 1.93 0.12 5.32 -4.23 0.04 -1.33 115.64 115.49 3hxx s THR 130 Ca 0.05 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 3hxx s THR 130 Cb -0.06 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 3hxx s THR 130 CO 0.02 -0.01 -0.11 0.68 -0.54 0.00 0.00 174.62 174.66 3hxx s VAL 131 N -1.17 1.11 0.24 2.29 -7.23 -0.29 -1.57 120.40 113.79 3hxx s VAL 131 Ca 0.10 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3hxx s VAL 131 Cb -0.10 -1.56 -0.11 0.00 0.56 0.00 0.00 36.38 35.18 3hxx s VAL 131 CO 0.05 -0.58 1.55 -0.47 -0.31 0.00 0.00 175.10 175.34 3hxx s TYR 132 N -2.65 2.92 0.30 2.82 5.04 -1.21 -0.52 117.35 124.05 3hxx s TYR 132 Ca 0.10 0.79 0.05 0.00 -2.44 0.00 0.00 57.07 55.57 3hxx s TYR 132 Cb -0.02 -3.96 0.77 0.00 0.35 0.00 0.00 41.96 39.10 3hxx s TYR 132 CO 0.01 -3.32 1.70 1.49 -1.34 0.00 0.00 175.55 174.09 3hxx h GLU 133 N 5.50 0.41 -0.01 4.97 4.81 -1.33 0.26 114.58 129.19 3hxx h GLU 133 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hxx h GLU 133 Cb 1.21 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3hxx h GLU 133 CO 0.83 0.27 -0.06 -1.13 -0.73 0.00 0.00 179.01 178.19 3hxx n SER 134 N -5.02 0.78 -4.20 1.04 3.41 -1.26 -4.57 113.62 103.80 3hxx n SER 134 Ca 0.23 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.39 3hxx n SER 134 Cb 0.68 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3hxx n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxx n ASP 135 N -0.54 4.77 0.21 4.04 -0.08 0.90 -4.77 116.55 121.08 3hxx n ASP 135 Ca 0.18 -2.95 0.05 0.00 -1.51 0.00 0.00 54.79 50.56 3hxx n ASP 135 Cb 0.27 -1.63 0.45 0.00 2.34 0.00 0.00 41.12 42.56 3hxx n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxx h ASP 136 N 6.72 0.00 -0.16 1.67 3.32 -1.82 -2.49 116.42 123.65 3hxx h ASP 136 Ca 0.44 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 3hxx h ASP 136 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3hxx h ASP 136 CO 1.55 0.28 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.98 3hxx h GLU 137 N 0.00 0.31 -0.52 3.56 5.08 -1.97 -1.40 114.58 119.64 3hxx h GLU 137 Ca -0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hxx h GLU 137 Cb 0.53 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3hxx h GLU 137 CO 0.04 0.58 0.25 0.00 -1.00 0.00 0.00 179.01 178.88 3hxx h ALA 138 N 0.72 0.67 -0.36 3.43 0.00 -1.93 -1.61 119.26 120.17 3hxx h ALA 138 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hxx h ALA 138 Cb 0.47 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3hxx h ALA 138 CO 0.02 0.23 -0.04 -0.92 0.00 0.00 0.00 179.25 178.54 3hxx h TYR 139 N 0.69 -0.09 -0.57 0.00 3.20 -1.39 -1.96 116.97 116.85 3hxx h TYR 139 Ca 0.18 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3hxx h TYR 139 Cb 0.12 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3hxx h TYR 139 CO -0.00 -0.11 0.06 0.93 -1.64 0.00 0.00 178.16 177.40 3hxx h GLU 140 N 0.06 0.93 0.37 1.82 3.07 -1.02 -1.58 114.58 118.22 3hxx h GLU 140 Ca 0.18 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3hxx h GLU 140 Cb 0.26 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3hxx h GLU 140 CO -0.33 0.88 -0.21 0.82 -1.40 0.00 0.00 179.01 178.78 3hxx h ILE 141 N 0.87 0.57 -0.88 3.13 2.04 -1.03 0.11 117.51 122.32 3hxx h ILE 141 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 3hxx h ILE 141 Cb 0.43 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3hxx h ILE 141 CO 0.01 0.00 0.54 -0.50 0.00 0.00 0.00 178.15 178.21 3hxx h TRP 142 N -0.54 1.00 0.03 1.37 4.06 -1.22 0.11 115.95 120.76 3hxx h TRP 142 Ca -0.04 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.80 3hxx h TRP 142 Cb 0.44 -0.32 0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3hxx h TRP 142 CO -0.08 0.49 -0.55 1.49 -3.56 0.00 0.00 178.44 176.23 3hxx h GLU 143 N 0.97 0.32 0.00 0.49 4.81 -1.11 -0.11 114.58 119.95 3hxx h GLU 143 Ca 0.39 -0.39 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 3hxx h GLU 143 Cb 0.21 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3hxx h GLU 143 CO -0.19 1.09 -1.80 1.63 -0.73 0.00 0.00 179.01 179.02 3hxx n LYS 144 N -4.27 1.52 -0.02 1.92 5.02 0.36 -3.24 118.16 119.46 3hxx n LYS 144 Ca -0.11 -0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 3hxx n LYS 144 Cb 0.66 -1.32 -0.14 0.00 -0.02 0.00 0.00 35.03 34.21 3hxx n LYS 144 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hxx n GLU 145 N -2.33 0.72 -0.07 1.97 -0.58 0.23 -4.54 120.64 116.04 3hxx n GLU 145 Ca -0.16 0.25 -0.18 0.00 -0.42 0.00 0.00 57.16 56.65 3hxx n GLU 145 Cb 0.76 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 3hxx n GLU 145 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hxx n VAL 146 N -3.36 1.60 -0.40 2.62 0.31 -0.27 -5.02 118.33 113.82 3hxx n VAL 146 Ca -0.31 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.37 3hxx n VAL 146 Cb 1.05 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 3hxx n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hxx n GLY 147 N 2.06 1.02 3.69 2.92 0.00 -0.26 -5.01 105.19 109.61 3hxx n GLY 147 Ca -0.37 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3hxx n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxx s ILE 148 N -2.00 2.88 0.53 -0.61 -1.09 -0.22 -4.96 121.20 115.74 3hxx s ILE 148 Ca 0.00 0.40 -0.22 0.00 -2.23 0.00 0.00 60.65 58.60 3hxx s ILE 148 Cb 0.00 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3hxx s ILE 148 CO 0.00 0.00 1.34 -0.81 -1.23 0.00 0.00 174.94 174.24 3hxx n PRO 149 N 5.37 1.71 0.23 2.79 -0.04 -1.26 -4.45 135.00 139.35 3hxx n PRO 149 Ca 0.16 0.63 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 3hxx n PRO 149 Cb 0.40 -2.55 0.74 0.00 -0.04 0.00 0.00 33.50 32.05 3hxx n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hxx h ARG 150 N 1.49 0.00 0.00 0.54 3.08 -1.93 -1.30 114.38 116.27 3hxx h ARG 150 Ca -0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3hxx h ARG 150 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hxx h ARG 150 CO 0.57 0.00 -0.01 1.05 -1.07 0.00 0.00 179.97 180.51 3hxx h GLU 151 N 0.00 0.00 -0.58 0.04 9.09 -2.03 -2.34 114.58 118.76 3hxx h GLU 151 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3hxx h GLU 151 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3hxx h GLU 151 CO -0.00 0.01 0.00 0.54 0.05 0.00 0.00 179.01 179.61 3hxx n ARG 152 N -3.11 2.96 -3.86 1.06 1.74 -0.49 -4.84 116.66 110.11 3hxx n ARG 152 Ca -0.00 -2.51 -0.35 0.00 -0.77 0.00 0.00 57.85 54.21 3hxx n ARG 152 Cb 0.26 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 3hxx n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxx s ILE 153 N -1.22 3.58 -0.16 0.55 1.01 -0.88 -1.52 121.20 122.56 3hxx s ILE 153 Ca 0.41 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3hxx s ILE 153 Cb 0.23 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3hxx s ILE 153 CO 0.25 0.35 -0.16 -0.63 0.00 0.00 0.00 174.94 174.76 3hxx s ILE 154 N 1.50 2.55 -0.05 2.92 1.01 -0.44 -4.96 121.20 123.72 3hxx s ILE 154 Ca 0.05 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 3hxx s ILE 154 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3hxx s ILE 154 CO -0.01 0.51 0.73 -0.13 0.00 0.00 0.00 174.94 176.04 3hxx s ARG 155 N 0.96 4.45 -0.16 2.79 0.52 -1.26 -1.14 118.95 125.11 3hxx s ARG 155 Ca -0.03 0.93 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 3hxx s ARG 155 Cb -0.15 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 31.90 3hxx s ARG 155 CO -0.03 0.07 -0.19 0.42 0.02 0.00 0.00 175.30 175.59 3hxx s ILE 156 N 0.75 1.92 0.00 1.52 -1.09 0.32 -4.81 121.20 119.81 3hxx s ILE 156 Ca 0.39 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 3hxx s ILE 156 Cb -0.18 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 3hxx s ILE 156 CO 0.19 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 3hxx n GLY 157 N 4.48 1.38 2.96 6.18 0.00 -1.26 -0.89 105.19 118.03 3hxx n GLY 157 Ca -0.20 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3hxx n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxx n ASP 158 N 0.00 3.23 -0.02 1.61 8.00 -1.26 -4.50 116.55 123.61 3hxx n ASP 158 Ca 0.00 -2.76 0.15 0.00 0.71 0.00 0.00 54.79 52.88 3hxx n ASP 158 Cb 0.00 -1.40 0.85 0.00 -0.02 0.00 0.00 41.12 40.55 3hxx n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxx n ASN 159 N 7.10 0.06 -1.46 -2.24 6.94 -1.12 -2.75 115.26 121.79 3hxx n ASN 159 Ca 0.51 -1.10 0.09 0.00 -0.02 0.00 0.00 54.58 54.05 3hxx n ASN 159 Cb 0.40 -0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.16 3hxx n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxx n LYS 160 N -0.91 3.72 -2.77 -3.83 4.76 -0.16 -4.98 118.16 114.00 3hxx n LYS 160 Ca 0.22 -2.85 -0.08 0.00 -2.87 0.00 0.00 58.31 52.72 3hxx n LYS 160 Cb 0.11 -1.88 0.03 0.00 -1.84 0.00 0.00 35.03 31.45 3hxx n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxx n GLY 161 N 0.81 0.23 3.63 0.72 0.00 -1.11 -4.94 105.19 104.53 3hxx n GLY 161 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 3hxx n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxx s ALA 162 N -3.14 -2.13 0.10 4.61 0.00 -1.26 -5.04 121.76 114.90 3hxx s ALA 162 Ca 0.12 1.81 -0.33 0.00 0.00 0.00 0.00 51.96 53.56 3hxx s ALA 162 Cb -0.05 -0.74 -0.13 0.00 0.00 0.00 0.00 23.12 22.20 3hxx s ALA 162 CO 0.30 -0.44 1.71 -2.30 0.00 0.00 0.00 175.76 175.03 3hxx n PRO 163 N 0.20 2.34 -0.86 0.00 -0.02 -1.26 -1.43 135.00 133.97 3hxx n PRO 163 Ca 0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3hxx n PRO 163 Cb 0.58 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3hxx n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxx n TYR 164 N 4.63 0.00 -2.93 6.00 4.01 -1.26 -4.94 117.16 122.67 3hxx n TYR 164 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.49 3hxx n TYR 164 Cb 0.31 -0.68 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 3hxx n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxx s ALA 165 N -2.40 3.32 -0.00 -0.72 0.00 -0.51 -4.75 121.76 116.70 3hxx s ALA 165 Ca 0.00 -2.52 -0.17 0.00 0.00 0.00 0.00 51.96 49.27 3hxx s ALA 165 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 19.20 3hxx s ALA 165 CO 0.00 -2.87 0.38 0.45 0.00 0.00 0.00 175.76 173.71 3hxx s SER 166 N 3.62 -0.26 0.38 0.00 0.15 -1.26 -0.98 113.70 115.34 3hxx s SER 166 Ca 0.28 0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.34 3hxx s SER 166 Cb -0.09 0.36 1.19 0.00 -1.71 0.00 0.00 66.02 65.77 3hxx s SER 166 CO -0.04 -0.52 1.83 0.44 1.20 0.00 0.00 173.24 176.15 3hxx h ASP 167 N 3.55 0.00 -0.22 5.45 3.32 -1.92 -2.79 116.42 123.81 3hxx h ASP 167 Ca -0.30 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3hxx h ASP 167 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3hxx h ASP 167 CO 0.41 0.00 -0.01 0.59 -1.72 0.00 0.00 179.24 178.51 3hxx n ASN 168 N -2.55 3.38 -3.95 6.45 4.13 -1.26 -4.83 115.26 116.63 3hxx n ASN 168 Ca 0.01 -3.14 -0.29 0.00 1.68 0.00 0.00 54.58 52.84 3hxx n ASN 168 Cb 0.23 -0.53 -0.16 0.00 -1.54 0.00 0.00 39.78 37.78 3hxx n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxx s PHE 169 N -2.90 2.01 -0.25 3.10 5.36 -1.05 -0.48 117.98 123.77 3hxx s PHE 169 Ca 0.40 -1.26 -0.10 0.00 -0.96 0.00 0.00 56.93 55.01 3hxx s PHE 169 Cb 0.34 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.51 3hxx s PHE 169 CO 0.06 -0.66 0.15 -0.46 -1.46 0.00 0.00 175.22 172.85 3hxx s TRP 170 N 1.53 3.26 -0.22 10.12 -0.00 0.07 -4.38 118.94 129.33 3hxx s TRP 170 Ca 0.01 0.11 -0.04 0.00 -0.00 0.00 0.00 56.10 56.19 3hxx s TRP 170 Cb -0.15 -2.27 0.11 0.00 -0.00 0.00 0.00 33.47 31.15 3hxx s TRP 170 CO -0.08 -0.03 0.29 1.14 -0.00 0.00 0.00 176.95 178.27 3hxx s GLN 171 N 1.22 0.25 0.45 5.86 -2.07 -1.26 -2.43 119.66 121.69 3hxx s GLN 171 Ca 0.07 0.37 0.30 0.00 -1.82 0.00 0.00 55.36 54.28 3hxx s GLN 171 Cb -0.14 -0.84 1.18 0.00 -1.09 0.00 0.00 33.01 32.12 3hxx s GLN 171 CO 0.06 -0.63 1.88 0.52 -1.32 0.00 0.00 175.29 175.80 3hxx h MET 172 N 8.26 0.00 -4.70 9.60 2.86 -1.90 -3.46 114.93 125.59 3hxx h MET 172 Ca -0.18 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.09 3hxx h MET 172 Cb 1.15 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 3hxx h MET 172 CO 0.27 0.00 -0.50 0.20 1.06 0.00 0.00 176.91 177.94 3hxx s GLY 173 N -3.98 1.93 0.45 8.32 0.00 -1.26 -4.84 107.32 107.94 3hxx s GLY 173 Ca 0.03 -1.88 0.23 0.00 0.00 0.00 0.00 44.72 43.10 3hxx s GLY 173 CO 0.51 -1.39 1.87 -0.55 0.00 0.00 0.00 173.10 173.54 3hxx h ASP 174 N 2.29 0.00 -3.66 1.64 3.45 -1.96 -3.44 116.42 114.74 3hxx h ASP 174 Ca -0.29 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 56.75 3hxx h ASP 174 Cb 1.24 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.87 3hxx h ASP 174 CO 0.42 0.23 -0.62 0.42 -1.57 0.00 0.00 179.24 178.12 3hxx s THR 175 N -3.80 1.02 0.00 0.35 -4.23 -1.26 -4.59 115.64 103.13 3hxx s THR 175 Ca -0.01 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3hxx s THR 175 Cb 0.11 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3hxx s THR 175 CO 0.64 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 3hxx n GLY 176 N -0.58 1.19 3.77 3.99 0.00 -0.89 -4.87 105.19 107.81 3hxx n GLY 176 Ca -0.02 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3hxx n GLY 176 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxx s PRO 177 N -1.42 4.18 0.32 1.61 0.04 -1.26 -1.54 135.00 136.93 3hxx s PRO 177 Ca 0.00 2.47 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 3hxx s PRO 177 Cb 0.00 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.57 3hxx s PRO 177 CO 0.00 -0.45 0.75 0.00 0.04 0.00 0.00 177.00 177.33 3hxx n GLY 179 N -0.49 0.33 3.73 0.00 0.00 -1.02 -1.46 105.19 106.29 3hxx n GLY 179 Ca -0.06 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3hxx n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxx s PRO 180 N -2.00 2.62 0.07 1.61 0.04 -1.25 -0.75 135.00 135.33 3hxx s PRO 180 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3hxx s PRO 180 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3hxx s PRO 180 CO 0.00 -1.55 -0.04 0.00 0.04 0.00 0.00 177.00 175.45 3hxx s THR 182 N -3.72 1.91 0.01 0.00 -1.32 -0.06 -3.30 115.64 109.16 3hxx s THR 182 Ca 0.08 -1.00 0.05 0.00 -1.21 0.00 0.00 61.69 59.61 3hxx s THR 182 Cb 0.06 -1.61 -0.02 0.00 -1.51 0.00 0.00 72.50 69.43 3hxx s THR 182 CO -0.08 0.54 -0.16 -1.61 -2.21 0.00 0.00 174.62 171.09 3hxx s GLU 183 N -0.27 1.22 -0.19 7.08 2.02 -0.61 -0.57 118.70 127.38 3hxx s GLU 183 Ca 0.01 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 3hxx s GLU 183 Cb -0.12 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 3hxx s GLU 183 CO 0.02 0.32 0.06 0.42 0.02 0.00 0.00 175.26 176.10 3hxx s ILE 184 N -0.57 4.66 0.09 -1.63 1.01 0.05 -0.78 121.20 124.03 3hxx s ILE 184 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3hxx s ILE 184 Cb -0.07 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3hxx s ILE 184 CO 0.00 0.45 -0.15 -0.36 0.00 0.00 0.00 174.94 174.88 3hxx s PHE 185 N 0.52 2.61 -0.08 3.97 0.40 0.22 -0.75 117.98 124.85 3hxx s PHE 185 Ca 0.03 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 3hxx s PHE 185 Cb -0.13 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 3hxx s PHE 185 CO 0.01 0.37 -0.21 -0.47 0.70 0.00 0.00 175.22 175.62 3hxx s TYR 186 N -1.12 2.59 -0.44 0.36 5.04 -0.50 -0.59 117.35 122.68 3hxx s TYR 186 Ca 0.18 -0.72 -0.22 0.00 -2.44 0.00 0.00 57.07 53.87 3hxx s TYR 186 Cb -0.11 -1.69 0.02 0.00 0.35 0.00 0.00 41.96 40.54 3hxx s TYR 186 CO 0.10 -0.22 0.74 0.34 -1.34 0.00 0.00 175.55 175.17 3hxx s ASP 187 N 0.01 6.38 0.08 4.32 -1.08 -0.21 -1.51 116.67 124.66 3hxx s ASP 187 Ca -0.07 -0.18 0.28 0.00 -0.52 0.00 0.00 52.55 52.05 3hxx s ASP 187 Cb -0.15 -2.36 1.09 0.00 -1.46 0.00 0.00 42.92 40.03 3hxx s ASP 187 CO 0.05 -0.87 1.88 1.41 0.52 0.00 0.00 175.17 178.16 3hxx n HIS 188 N 6.56 0.33 0.00 -5.34 8.25 0.24 -4.97 115.22 120.29 3hxx n HIS 188 Ca 0.01 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3hxx n HIS 188 Cb 0.48 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3hxx n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hxx n GLY 189 N 1.43 3.70 0.11 -1.41 0.00 -1.26 -4.89 105.19 102.86 3hxx n GLY 189 Ca 0.06 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.39 3hxx n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxx n ASP 190 N 0.00 0.32 -0.01 1.61 5.68 -1.26 -2.48 116.55 120.41 3hxx n ASP 190 Ca 0.00 -1.69 0.14 0.00 -0.50 0.00 0.00 54.79 52.74 3hxx n ASP 190 Cb 0.00 -0.03 0.60 0.00 -1.14 0.00 0.00 41.12 40.55 3hxx n ASP 190 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hxx n HIS 191 N -0.48 0.00 -4.16 2.11 1.44 -1.26 -4.79 115.22 108.08 3hxx n HIS 191 Ca 0.09 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.46 3hxx n HIS 191 Cb 0.09 -0.40 -0.10 0.00 0.12 0.00 0.00 29.99 29.69 3hxx n HIS 191 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hxx s ILE 192 N -2.87 4.51 0.52 0.61 1.01 -1.03 -5.09 121.20 118.85 3hxx s ILE 192 Ca 0.18 -0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 3hxx s ILE 192 Cb 0.19 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 3hxx s ILE 192 CO 0.53 0.49 1.36 0.86 0.00 0.00 0.00 174.94 178.18 3hxx s TRP 193 N 0.17 2.35 0.00 3.97 -0.00 -1.26 -4.66 118.94 119.50 3hxx s TRP 193 Ca 0.03 1.36 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 3hxx s TRP 193 Cb -0.13 -3.80 0.00 0.00 -0.00 0.00 0.00 33.47 29.55 3hxx s TRP 193 CO 0.01 -2.82 0.00 0.41 -0.00 0.00 0.00 176.95 174.55 3hxx n GLY 194 N 0.68 4.19 3.86 5.86 0.00 -1.26 -3.07 105.19 115.45 3hxx n GLY 194 Ca 0.09 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 3hxx n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxx s GLY 195 N 0.00 2.37 0.97 -0.02 0.00 0.69 -4.79 107.32 106.55 3hxx s GLY 195 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.12 3hxx s GLY 195 CO 0.00 -1.91 1.09 2.56 0.00 0.00 0.00 173.10 174.83 3hxx s PRO 196 N -4.15 0.61 0.40 2.90 0.04 -1.26 -4.15 135.00 129.39 3hxx s PRO 196 Ca 0.36 0.74 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 3hxx s PRO 196 Cb -0.01 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 3hxx s PRO 196 CO 0.21 -2.66 1.35 -2.30 0.04 0.00 0.00 177.00 173.64 3hxx n PRO 197 N -4.16 2.20 -0.23 0.56 -0.02 -1.26 -2.97 135.00 129.12 3hxx n PRO 197 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3hxx n PRO 197 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3hxx n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxx n GLY 198 N 0.68 0.67 3.64 -1.23 0.00 -1.26 -5.00 105.19 102.69 3hxx n GLY 198 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3hxx n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxx s SER 199 N -2.79 4.61 0.00 1.61 1.04 -1.16 -5.00 113.70 112.02 3hxx s SER 199 Ca 0.00 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.00 3hxx s SER 199 Cb 0.00 -0.92 0.30 0.00 0.10 0.00 0.00 66.02 65.51 3hxx s SER 199 CO 0.00 0.07 0.94 -0.81 0.98 0.00 0.00 173.24 174.42 3hxx n PRO 200 N -0.24 0.12 -0.20 4.02 -0.04 -1.26 -1.51 135.00 135.88 3hxx n PRO 200 Ca -0.09 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 3hxx n PRO 200 Cb 0.56 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.69 3hxx n PRO 200 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hxx n GLU 201 N -1.18 2.16 0.28 0.54 0.00 -1.26 -4.68 120.64 116.50 3hxx n GLU 201 Ca 0.03 -2.53 0.16 0.00 0.00 0.00 0.00 57.16 54.82 3hxx n GLU 201 Cb 0.03 -1.56 0.83 0.00 0.00 0.00 0.00 31.44 30.75 3hxx n GLU 201 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3hxx h GLU 202 N 0.79 0.00 0.00 3.44 4.11 -1.43 0.21 114.58 121.70 3hxx h GLU 202 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hxx h GLU 202 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hxx h GLU 202 CO 0.08 0.07 0.00 -3.47 0.07 0.00 0.00 179.01 175.76 3hxx n ASP 203 N -3.46 0.00 -4.66 3.06 2.03 -1.26 -4.73 116.55 107.53 3hxx n ASP 203 Ca -0.02 0.38 -0.30 0.00 0.52 0.00 0.00 54.79 55.38 3hxx n ASP 203 Cb 0.21 -0.45 0.17 0.00 -0.72 0.00 0.00 41.12 40.32 3hxx n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hxx s GLY 204 N -2.90 1.64 -0.10 0.27 0.00 -1.03 -4.94 107.32 100.26 3hxx s GLY 204 Ca 0.12 0.25 0.10 0.00 0.00 0.00 0.00 44.72 45.19 3hxx s GLY 204 CO 0.35 0.74 1.26 1.22 0.00 0.00 0.00 173.10 176.67 3hxx n ASP 205 N -4.20 3.31 -0.06 1.64 8.00 -1.18 -4.28 116.55 119.78 3hxx n ASP 205 Ca 0.08 -2.37 -0.10 0.00 0.71 0.00 0.00 54.79 53.11 3hxx n ASP 205 Cb 0.53 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 3hxx n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxx h ARG 206 N 2.39 -0.01 -4.07 -1.24 2.43 -1.81 -3.42 114.38 108.65 3hxx h ARG 206 Ca 0.00 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.41 3hxx h ARG 206 Cb 1.12 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.43 3hxx h ARG 206 CO 0.20 0.71 -0.17 0.71 -1.51 0.00 0.00 179.97 179.90 3hxx s TYR 207 N -2.13 3.31 -0.18 2.20 2.02 -1.26 -0.60 117.35 120.71 3hxx s TYR 207 Ca -0.14 -1.37 -0.10 0.00 -0.37 0.00 0.00 57.07 55.09 3hxx s TYR 207 Cb -0.02 -3.81 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 3hxx s TYR 207 CO 0.51 -1.02 0.15 0.42 -1.57 0.00 0.00 175.55 174.03 3hxx s ILE 208 N 1.45 5.41 -0.21 2.71 1.01 -0.57 -4.86 121.20 126.15 3hxx s ILE 208 Ca 0.05 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.65 3hxx s ILE 208 Cb -0.27 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 3hxx s ILE 208 CO 0.02 0.47 1.51 -0.70 0.00 0.00 0.00 174.94 176.23 3hxx s GLU 209 N 0.10 3.92 -0.24 2.79 2.12 -1.26 -1.41 118.70 124.73 3hxx s GLU 209 Ca 0.10 1.64 -0.16 0.00 0.36 0.00 0.00 54.97 56.91 3hxx s GLU 209 Cb -0.11 -3.96 -0.12 0.00 0.26 0.00 0.00 34.13 30.20 3hxx s GLU 209 CO -0.00 -1.13 -0.23 -0.89 -0.54 0.00 0.00 175.26 172.47 3hxx n ILE 210 N 6.11 1.52 -3.88 -3.70 2.08 0.07 -4.87 119.36 116.69 3hxx n ILE 210 Ca 0.17 -0.18 -0.24 0.00 0.56 0.00 0.00 62.75 63.07 3hxx n ILE 210 Cb 0.45 -2.03 -0.17 0.00 -0.75 0.00 0.00 39.64 37.14 3hxx n ILE 210 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3hxx s TRP 211 N -2.53 0.91 -0.28 1.39 -0.11 -1.13 -2.72 118.94 114.47 3hxx s TRP 211 Ca -0.33 -0.33 -0.08 0.00 1.22 0.00 0.00 56.10 56.57 3hxx s TRP 211 Cb 0.10 -0.90 -0.02 0.00 -1.50 0.00 0.00 33.47 31.16 3hxx s TRP 211 CO 0.48 -0.35 0.11 1.21 -4.62 0.00 0.00 176.95 173.77 3hxx s ASN 212 N 1.72 5.32 -0.38 5.86 2.47 0.04 -0.77 114.94 129.20 3hxx s ASN 212 Ca 0.02 -0.35 -0.10 0.00 0.42 0.00 0.00 52.86 52.85 3hxx s ASN 212 Cb -0.13 -1.96 0.04 0.00 -1.45 0.00 0.00 41.25 37.76 3hxx s ASN 212 CO -0.05 -0.10 0.21 -0.63 -3.72 0.00 0.00 177.10 172.81 3hxx s ILE 213 N 1.61 4.39 -0.16 -5.21 1.01 0.26 -0.63 121.20 122.47 3hxx s ILE 213 Ca 0.05 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 3hxx s ILE 213 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3hxx s ILE 213 CO 0.05 -0.30 0.30 -0.69 0.00 0.00 0.00 174.94 174.29 3hxx s VAL 214 N 1.50 5.30 -0.84 2.92 1.01 0.24 -0.88 120.40 129.65 3hxx s VAL 214 Ca 0.02 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 3hxx s VAL 214 Cb -0.20 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 32.72 3hxx s VAL 214 CO 0.05 0.38 0.90 -0.36 0.00 0.00 0.00 175.10 176.07 3hxx s PHE 215 N 0.51 3.45 -0.14 5.22 0.08 -0.44 -0.91 117.98 125.74 3hxx s PHE 215 Ca 0.17 -1.67 -0.29 0.00 0.12 0.00 0.00 56.93 55.26 3hxx s PHE 215 Cb -0.13 -4.01 -0.06 0.00 -0.57 0.00 0.00 43.02 38.25 3hxx s PHE 215 CO 0.04 -1.21 2.00 -1.64 -0.10 0.00 0.00 175.22 174.32 3hxx s MET 216 N 1.36 3.59 0.00 0.44 -1.94 0.55 -3.95 119.30 119.35 3hxx s MET 216 Ca 0.23 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.32 3hxx s MET 216 Cb -0.10 -4.23 0.00 0.00 2.01 0.00 0.00 34.83 32.51 3hxx s MET 216 CO -0.08 -1.58 0.00 1.04 -0.01 0.00 0.00 175.02 174.40 3hxx n GLN 217 N 8.15 1.49 -4.29 2.03 1.13 -0.62 -1.20 117.38 124.08 3hxx n GLN 217 Ca 0.24 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 55.10 3hxx n GLN 217 Cb 0.44 -0.92 -0.11 0.00 0.11 0.00 0.00 30.24 29.75 3hxx n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hxx s PHE 218 N -1.84 1.65 -0.30 1.08 0.08 -0.53 0.80 117.98 118.92 3hxx s PHE 218 Ca 0.00 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 3hxx s PHE 218 Cb 0.00 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3hxx s PHE 218 CO 0.00 0.24 0.12 1.21 -0.10 0.00 0.00 175.22 176.69 3hxx s ASN 219 N -2.44 5.40 0.05 1.36 2.47 0.26 -0.31 114.94 121.72 3hxx s ASN 219 Ca 0.11 -0.50 -0.29 0.00 0.42 0.00 0.00 52.86 52.61 3hxx s ASN 219 Cb -0.06 -1.97 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 3hxx s ASN 219 CO 0.05 -0.16 0.91 -0.60 -3.72 0.00 0.00 177.10 173.58 3hxx s ARG 220 N 1.59 4.60 0.53 0.43 3.52 -0.59 -1.32 118.95 127.71 3hxx s ARG 220 Ca 0.05 1.33 0.08 0.00 -0.13 0.00 0.00 55.73 57.06 3hxx s ARG 220 Cb -0.17 -3.41 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3hxx s ARG 220 CO 0.05 0.13 0.64 -0.65 -0.81 0.00 0.00 175.30 174.66 3hxx s GLN 221 N 0.38 2.41 0.59 5.12 -0.21 -0.79 -2.09 119.66 125.07 3hxx s GLN 221 Ca 0.46 -1.63 0.37 0.00 0.02 0.00 0.00 55.36 54.58 3hxx s GLN 221 Cb -0.22 -2.54 1.74 0.00 1.00 0.00 0.00 33.01 32.99 3hxx s GLN 221 CO 0.27 -0.65 2.13 0.00 -2.12 0.00 0.00 175.29 174.92 3hxx h ALA 222 N 0.45 1.03 0.00 6.09 0.00 -1.89 -0.35 119.26 124.59 3hxx h ALA 222 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hxx h ALA 222 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hxx h ALA 222 CO 0.46 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.49 3hxx n ASP 223 N -3.15 0.00 0.00 0.00 8.00 -1.26 -4.86 116.55 115.28 3hxx n ASP 223 Ca -0.01 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3hxx n ASP 223 Cb 0.22 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3hxx n ASP 223 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxx n GLY 224 N 0.90 0.64 3.80 0.44 0.00 -0.14 -5.01 105.19 105.83 3hxx n GLY 224 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3hxx n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxx s THR 225 N -2.71 4.46 -0.45 2.61 -4.23 -1.26 -4.79 115.64 109.26 3hxx s THR 225 Ca 0.00 1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 61.78 3hxx s THR 225 Cb 0.00 -3.90 0.04 0.00 1.34 0.00 0.00 72.50 69.98 3hxx s THR 225 CO 0.00 0.18 0.49 -0.04 -0.54 0.00 0.00 174.62 174.71 3hxx s MET 226 N -2.01 3.10 -0.06 3.99 -1.94 -1.26 -1.88 119.30 119.24 3hxx s MET 226 Ca 0.45 -0.84 -0.20 0.00 -1.71 0.00 0.00 55.69 53.39 3hxx s MET 226 Cb -0.17 -4.02 -0.05 0.00 2.01 0.00 0.00 34.83 32.60 3hxx s MET 226 CO 0.22 -0.98 0.55 -2.00 -0.01 0.00 0.00 175.02 172.80 3hxx s GLU 227 N 2.24 4.32 0.26 2.03 2.56 -0.44 -4.91 118.70 124.76 3hxx s GLU 227 Ca 0.12 0.62 -0.29 0.00 0.00 0.00 0.00 54.97 55.42 3hxx s GLU 227 Cb -0.18 -3.39 -0.09 0.00 2.00 0.00 0.00 34.13 32.47 3hxx s GLU 227 CO 0.13 0.26 1.27 -1.25 -0.56 0.00 0.00 175.26 175.11 3hxx s PRO 228 N 0.21 4.43 0.44 4.30 0.04 -1.26 0.93 135.00 144.08 3hxx s PRO 228 Ca 0.30 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 3hxx s PRO 228 Cb -0.17 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 3hxx s PRO 228 CO 0.14 -0.14 1.22 -0.51 0.04 0.00 0.00 177.00 177.75 3hxx s LEU 229 N -0.98 4.09 0.24 -3.56 1.43 0.24 -4.71 118.68 115.43 3hxx s LEU 229 Ca 0.51 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 56.01 3hxx s LEU 229 Cb -0.37 -4.11 0.39 0.00 0.03 0.00 0.00 46.19 42.14 3hxx s LEU 229 CO 0.44 -0.91 1.79 1.55 0.23 0.00 0.00 176.35 179.45 3hxx h PRO 230 N 2.29 0.65 -4.25 1.29 0.13 -1.86 -3.39 132.00 126.86 3hxx h PRO 230 Ca -0.49 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 3hxx h PRO 230 Cb 1.25 -0.15 -0.37 0.00 0.13 0.00 0.00 31.00 31.87 3hxx h PRO 230 CO 0.61 0.43 -0.80 0.15 -0.23 0.00 0.00 178.00 178.15 3hxx s LYS 231 N -6.03 1.55 0.24 0.86 1.02 -1.26 -5.12 119.74 111.00 3hxx s LYS 231 Ca -0.12 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.28 3hxx s LYS 231 Cb 0.19 -1.59 -0.13 0.00 -0.52 0.00 0.00 37.83 35.78 3hxx s LYS 231 CO 0.77 -0.25 1.41 -2.30 -0.92 0.00 0.00 175.35 174.06 3hxx n PRO 232 N 4.88 2.02 -4.31 -1.68 -0.02 -1.26 -4.63 135.00 130.01 3hxx n PRO 232 Ca -0.13 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 3hxx n PRO 232 Cb 0.50 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 3hxx n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxx s SER 233 N 0.30 1.74 -0.04 2.55 0.01 -0.34 -4.00 113.70 113.92 3hxx s SER 233 Ca 0.68 -1.73 0.03 0.00 1.31 0.00 0.00 55.95 56.25 3hxx s SER 233 Cb -0.65 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3hxx s SER 233 CO 0.49 -1.03 -0.13 -0.69 0.41 0.00 0.00 173.24 172.29 3hxx s VAL 234 N -3.46 1.13 -0.11 3.43 1.01 -0.55 -0.33 120.40 121.53 3hxx s VAL 234 Ca 0.38 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hxx s VAL 234 Cb 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.45 3hxx s VAL 234 CO 0.25 0.34 -0.00 -0.62 0.00 0.00 0.00 175.10 175.07 3hxx s ASP 235 N 0.16 2.00 0.28 3.32 2.15 -0.09 -1.32 116.67 123.18 3hxx s ASP 235 Ca -0.04 -0.30 0.11 0.00 0.43 0.00 0.00 52.55 52.75 3hxx s ASP 235 Cb -0.11 -0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 41.93 3hxx s ASP 235 CO 0.02 -0.21 -0.14 0.42 -0.17 0.00 0.00 175.17 175.08 3hxx s THR 236 N 1.90 2.69 -0.24 1.71 -4.23 -0.83 0.81 115.64 117.45 3hxx s THR 236 Ca 0.04 -2.27 -0.05 0.00 -1.18 0.00 0.00 61.69 58.22 3hxx s THR 236 Cb -0.13 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.36 3hxx s THR 236 CO -0.06 -0.37 0.46 -0.83 -0.54 0.00 0.00 174.62 173.27 3hxx s GLY 237 N -3.56 -0.50 -0.10 3.99 0.00 0.20 -3.81 107.32 103.54 3hxx s GLY 237 Ca 0.31 1.47 0.03 0.00 0.00 0.00 0.00 44.72 46.54 3hxx s GLY 237 CO 0.16 2.68 -0.21 -0.29 0.00 0.00 0.00 173.10 175.44 3hxx s MET 238 N 2.66 2.77 -0.14 2.90 -2.45 0.18 -0.78 119.30 124.44 3hxx s MET 238 Ca 0.05 -0.78 -0.29 0.00 -1.25 0.00 0.00 55.69 53.41 3hxx s MET 238 Cb -0.13 -2.13 -0.03 0.00 1.25 0.00 0.00 34.83 33.78 3hxx s MET 238 CO -0.15 0.13 1.48 0.20 1.05 0.00 0.00 175.02 177.72 3hxx s GLY 239 N 0.46 1.51 0.18 2.11 0.00 -1.10 0.91 107.32 111.39 3hxx s GLY 239 Ca -0.17 0.62 -0.13 0.00 0.00 0.00 0.00 44.72 45.04 3hxx s GLY 239 CO 0.07 2.80 1.76 -2.00 0.00 0.00 0.00 173.10 175.73 3hxx h LEU 240 N 10.35 0.23 -0.91 0.66 5.85 -1.50 -1.32 115.31 128.67 3hxx h LEU 240 Ca -0.33 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3hxx h LEU 240 Cb 1.14 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3hxx h LEU 240 CO 0.97 0.16 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.85 3hxx h GLU 241 N 0.38 0.73 -0.28 1.25 3.07 -1.91 0.64 114.58 118.47 3hxx h GLU 241 Ca 0.22 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 58.68 3hxx h GLU 241 Cb 0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3hxx h GLU 241 CO -0.21 0.79 -0.56 0.00 -1.40 0.00 0.00 179.01 177.62 3hxx h ARG 242 N 0.68 0.87 -0.00 2.33 3.08 -1.80 -1.17 114.38 118.36 3hxx h ARG 242 Ca 0.12 -0.57 -0.17 0.00 0.07 0.00 0.00 59.98 59.44 3hxx h ARG 242 Cb 0.51 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3hxx h ARG 242 CO 0.03 1.20 -0.80 0.97 -1.07 0.00 0.00 179.97 180.30 3hxx h ILE 243 N 0.65 1.54 -0.76 2.04 6.09 -1.16 -2.78 117.51 123.12 3hxx h ILE 243 Ca 0.01 -2.63 -0.02 0.00 -1.37 0.00 0.00 64.86 60.85 3hxx h ILE 243 Cb 1.18 2.43 -0.04 0.00 0.47 0.00 0.00 36.82 40.86 3hxx h ILE 243 CO 0.13 0.76 0.40 0.00 -3.07 0.00 0.00 178.15 176.36 3hxx h ALA 244 N 1.16 0.98 -0.26 0.18 0.00 -0.75 -1.04 119.26 119.52 3hxx h ALA 244 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hxx h ALA 244 Cb 1.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hxx h ALA 244 CO 0.11 0.51 0.17 0.00 0.00 0.00 0.00 179.25 180.04 3hxx h ALA 245 N 1.21 0.33 -0.37 0.00 0.00 -1.10 0.67 119.26 119.98 3hxx h ALA 245 Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hxx h ALA 245 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hxx h ALA 245 CO -0.04 -0.20 0.18 0.28 0.00 0.00 0.00 179.25 179.47 3hxx h VAL 246 N 0.35 0.98 0.00 0.00 2.07 -1.30 -0.16 116.25 118.18 3hxx h VAL 246 Ca 0.09 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3hxx h VAL 246 Cb -0.03 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3hxx h VAL 246 CO -0.02 0.07 -0.41 -0.07 0.02 0.00 0.00 177.57 177.16 3hxx h LEU 247 N 0.37 0.00 -1.95 2.57 3.38 -0.91 -2.66 115.31 116.11 3hxx h LEU 247 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hxx h LEU 247 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hxx h LEU 247 CO -0.11 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3hxx n GLN 248 N -3.73 2.25 -2.54 1.13 6.02 0.20 -4.69 117.38 116.03 3hxx n GLN 248 Ca -0.01 -1.92 -0.15 0.00 -0.01 0.00 0.00 57.00 54.91 3hxx n GLN 248 Cb 0.49 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 30.30 3hxx n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxx n HIS 249 N 1.09 -1.03 -4.46 1.08 8.25 -0.80 -5.02 115.22 114.32 3hxx n HIS 249 Ca 0.18 0.19 -0.24 0.00 -0.26 0.00 0.00 57.72 57.59 3hxx n HIS 249 Cb 0.49 -3.25 -0.10 0.00 1.12 0.00 0.00 29.99 28.26 3hxx n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxx s VAL 250 N -2.85 2.51 -0.15 1.59 -7.23 -0.14 -5.04 120.40 109.09 3hxx s VAL 250 Ca 0.11 -2.29 0.17 0.00 -1.81 0.00 0.00 61.98 58.16 3hxx s VAL 250 Cb -0.05 -2.46 -0.25 0.00 0.56 0.00 0.00 36.38 34.18 3hxx s VAL 250 CO 0.13 -0.34 0.26 0.59 -0.31 0.00 0.00 175.10 175.44 3hxx n ASN 251 N -0.71 0.22 -4.77 4.85 5.03 -1.26 -4.02 115.26 114.60 3hxx n ASN 251 Ca -0.05 0.10 -0.36 0.00 0.87 0.00 0.00 54.58 55.14 3hxx n ASN 251 Cb 0.61 0.84 -0.08 0.00 -1.02 0.00 0.00 39.78 40.13 3hxx n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hxx s SER 252 N -5.53 5.76 0.48 6.41 0.15 -1.26 -4.91 113.70 114.80 3hxx s SER 252 Ca -0.08 0.29 0.23 0.00 0.70 0.00 0.00 55.95 57.09 3hxx s SER 252 Cb 0.07 -1.74 1.28 0.00 -1.71 0.00 0.00 66.02 63.92 3hxx s SER 252 CO 0.83 0.39 1.91 0.78 1.20 0.00 0.00 173.24 178.36 3hxx h ASN 253 N 5.07 0.18 0.19 5.45 4.21 -1.26 0.12 115.58 129.54 3hxx h ASN 253 Ca -0.53 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3hxx h ASN 253 Cb 1.21 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3hxx h ASN 253 CO 0.56 0.08 -0.00 -1.22 -1.29 0.00 0.00 177.43 175.56 3hxx n TYR 254 N -4.40 0.00 1.11 1.19 4.01 -1.26 -2.91 117.16 114.90 3hxx n TYR 254 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.02 3hxx n TYR 254 Cb 0.72 -0.10 0.16 0.00 -0.31 0.00 0.00 39.34 39.82 3hxx n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxx n ASP 255 N -1.09 1.85 -4.83 7.72 8.00 0.03 -4.00 116.55 124.22 3hxx n ASP 255 Ca 0.21 -1.41 -0.31 0.00 0.71 0.00 0.00 54.79 53.98 3hxx n ASP 255 Cb 0.15 0.28 0.04 0.00 -0.02 0.00 0.00 41.12 41.57 3hxx n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxx s ILE 256 N -2.38 4.15 0.26 0.53 -4.36 -1.15 -4.77 121.20 113.48 3hxx s ILE 256 Ca 0.23 0.71 -0.02 0.00 -0.26 0.00 0.00 60.65 61.31 3hxx s ILE 256 Cb 0.19 -3.48 0.23 0.00 1.25 0.00 0.00 42.46 40.65 3hxx s ILE 256 CO 0.50 -0.90 1.73 -2.24 0.24 0.00 0.00 174.94 174.27 3hxx h ASP 257 N -0.60 0.32 -0.41 4.36 2.03 -1.93 -0.68 116.42 119.51 3hxx h ASP 257 Ca -0.44 0.11 0.04 0.00 -0.73 0.00 0.00 57.03 56.01 3hxx h ASP 257 Cb 1.21 0.08 -0.04 0.00 -0.83 0.00 0.00 39.33 39.75 3hxx h ASP 257 CO 0.58 0.10 0.19 0.25 -1.03 0.00 0.00 179.24 179.33 3hxx h LEU 258 N 0.47 0.25 -0.00 0.15 6.46 -1.92 -2.17 115.31 118.54 3hxx h LEU 258 Ca 0.45 0.03 -0.21 0.00 -0.12 0.00 0.00 57.88 58.03 3hxx h LEU 258 Cb 0.70 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 3hxx h LEU 258 CO -0.42 0.19 -1.01 -0.26 -0.62 0.00 0.00 178.44 176.32 3hxx h PHE 259 N 0.38 0.02 -0.88 1.25 -1.00 -1.60 -1.89 116.94 113.22 3hxx h PHE 259 Ca 0.18 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.96 3hxx h PHE 259 Cb 0.12 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.63 3hxx h PHE 259 CO -0.12 1.01 0.58 0.00 -1.61 0.00 0.00 178.31 178.17 3hxx h ARG 260 N 0.00 1.14 -0.19 1.51 3.08 -0.98 0.53 114.38 119.48 3hxx h ARG 260 Ca -0.02 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 3hxx h ARG 260 Cb 1.77 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 31.57 3hxx h ARG 260 CO 0.13 0.75 -0.69 1.15 -1.07 0.00 0.00 179.97 180.24 3hxx h THR 261 N 1.17 1.29 -0.31 2.04 2.02 -1.37 -2.29 112.91 115.46 3hxx h THR 261 Ca 0.33 -1.91 -0.17 0.00 0.77 0.00 0.00 66.41 65.43 3hxx h THR 261 Cb -0.11 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3hxx h THR 261 CO -0.08 0.61 -0.48 0.25 0.37 0.00 0.00 175.52 176.19 3hxx h LEU 262 N 0.55 0.96 -0.96 2.58 5.85 -0.93 -1.99 115.31 121.37 3hxx h LEU 262 Ca -0.03 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 3hxx h LEU 262 Cb 1.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3hxx h LEU 262 CO 0.14 1.29 -0.02 0.40 -0.34 0.00 0.00 178.44 179.91 3hxx h ILE 263 N 0.66 1.24 -0.65 4.05 2.04 0.03 -0.85 117.51 124.04 3hxx h ILE 263 Ca 0.03 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3hxx h ILE 263 Cb 1.09 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hxx h ILE 263 CO 0.11 0.35 0.33 1.56 0.00 0.00 0.00 178.15 180.50 3hxx h GLN 264 N 0.69 0.91 -0.95 2.37 4.20 -1.24 -0.50 115.11 120.59 3hxx h GLN 264 Ca 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3hxx h GLN 264 Cb 0.45 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3hxx h GLN 264 CO 0.02 0.71 0.58 0.00 -0.67 0.00 0.00 178.83 179.47 3hxx h ALA 265 N 1.16 1.22 -0.39 3.87 0.00 -0.84 -1.43 119.26 122.84 3hxx h ALA 265 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hxx h ALA 265 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hxx h ALA 265 CO -0.03 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.23 3hxx h VAL 266 N 1.32 1.24 -0.33 0.00 2.07 -0.62 -2.43 116.25 117.50 3hxx h VAL 266 Ca 0.34 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3hxx h VAL 266 Cb -0.06 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hxx h VAL 266 CO -0.06 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.88 3hxx h ALA 267 N 0.91 1.49 0.11 1.67 0.00 -0.91 -2.47 119.26 120.06 3hxx h ALA 267 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hxx h ALA 267 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hxx h ALA 267 CO 0.01 0.37 -0.05 -0.22 0.00 0.00 0.00 179.25 179.36 3hxx h LYS 268 N 0.48 -0.14 0.00 0.00 3.64 -0.96 -1.01 116.57 118.58 3hxx h LYS 268 Ca 0.11 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hxx h LYS 268 Cb 0.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3hxx h LYS 268 CO -0.00 0.12 0.00 -0.39 -2.27 0.00 0.00 179.45 176.91 3hxx h VAL 269 N -0.39 0.00 0.00 2.00 -1.51 -1.39 -3.23 116.25 111.73 3hxx h VAL 269 Ca -0.01 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3hxx h VAL 269 Cb 0.32 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3hxx h VAL 269 CO 0.02 0.00 -1.15 0.35 -1.23 0.00 0.00 177.57 175.56 3hxx n THR 270 N -2.55 0.00 -0.99 7.19 -2.24 -0.94 -4.84 114.28 109.91 3hxx n THR 270 Ca 0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hxx n THR 270 Cb 0.41 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3hxx n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxx n GLY 271 N 1.43 0.64 3.65 3.38 0.00 -0.42 -3.21 105.19 110.66 3hxx n GLY 271 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3hxx n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxx n ALA 272 N 1.00 0.59 -0.09 4.61 0.00 -0.96 -4.92 120.51 120.73 3hxx n ALA 272 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 3hxx n ALA 272 Cb 0.02 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.17 3hxx n ALA 272 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hxx n THR 273 N 0.12 1.30 -1.93 0.00 -2.24 -1.26 -4.76 114.28 105.51 3hxx n THR 273 Ca 0.07 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 3hxx n THR 273 Cb 0.35 -0.48 0.02 0.00 -2.10 0.00 0.00 70.33 68.12 3hxx n THR 273 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hxx s ASP 274 N -5.34 5.67 0.29 3.42 1.01 -1.26 -4.92 116.67 115.53 3hxx s ASP 274 Ca -0.09 2.66 0.16 0.00 0.71 0.00 0.00 52.55 55.99 3hxx s ASP 274 Cb 0.06 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.45 3hxx s ASP 274 CO 0.79 -1.29 1.43 -0.07 0.21 0.00 0.00 175.17 176.24 3hxx h LEU 275 N 1.83 0.00 -7.00 1.23 3.38 -2.00 -3.46 115.31 109.30 3hxx h LEU 275 Ca -0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3hxx h LEU 275 Cb 1.28 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.82 3hxx h LEU 275 CO 0.59 0.43 0.20 -0.55 0.09 0.00 0.00 178.44 179.19 3hxx s SER 276 N -6.38 -0.68 0.35 -0.43 0.15 -1.26 -4.89 113.70 100.57 3hxx s SER 276 Ca 0.04 1.16 -0.12 0.00 0.70 0.00 0.00 55.95 57.74 3hxx s SER 276 Cb 0.07 1.12 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 3hxx s SER 276 CO 0.74 -0.34 0.66 0.54 1.20 0.00 0.00 173.24 176.04 3hxx s ASN 277 N -0.10 0.28 0.19 5.45 2.20 -1.26 -5.01 114.94 116.69 3hxx s ASN 277 Ca -0.03 -1.20 -0.15 0.00 -0.94 0.00 0.00 52.86 50.54 3hxx s ASN 277 Cb -0.04 0.76 0.18 0.00 -2.00 0.00 0.00 41.25 40.16 3hxx s ASN 277 CO 0.03 -1.50 1.64 0.50 -2.94 0.00 0.00 177.10 174.83 3hxx h LYS 278 N 2.05 0.01 -0.77 3.55 3.64 -2.00 -2.51 116.57 120.53 3hxx h LYS 278 Ca -0.29 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 3hxx h LYS 278 Cb 1.25 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3hxx h LYS 278 CO 0.38 0.00 0.31 0.77 -2.27 0.00 0.00 179.45 178.64 3hxx h SER 279 N 0.01 1.07 -0.56 4.20 0.02 -1.94 0.11 113.55 116.45 3hxx h SER 279 Ca 0.26 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3hxx h SER 279 Cb 0.40 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3hxx h SER 279 CO -0.55 0.95 0.25 -0.07 -1.14 0.00 0.00 176.83 176.27 3hxx h LEU 280 N 1.12 0.75 -0.43 5.07 3.38 -1.83 -1.57 115.31 121.79 3hxx h LEU 280 Ca 0.26 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3hxx h LEU 280 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hxx h LEU 280 CO -0.02 0.69 -0.18 0.03 0.09 0.00 0.00 178.44 179.05 3hxx h ARG 281 N 0.76 0.89 -0.31 1.13 3.08 -1.05 -2.19 114.38 116.69 3hxx h ARG 281 Ca 0.19 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hxx h ARG 281 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hxx h ARG 281 CO -0.02 1.03 0.19 0.28 -1.07 0.00 0.00 179.97 180.38 3hxx h VAL 282 N 0.72 1.09 -0.53 2.04 2.07 -0.66 -1.82 116.25 119.16 3hxx h VAL 282 Ca 0.10 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 3hxx h VAL 282 Cb 0.74 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3hxx h VAL 282 CO 0.06 0.09 -0.14 0.40 0.02 0.00 0.00 177.57 178.00 3hxx h ILE 283 N 0.40 1.27 -0.51 4.57 2.04 -1.27 0.04 117.51 124.04 3hxx h ILE 283 Ca 0.11 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.71 3hxx h ILE 283 Cb -0.02 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3hxx h ILE 283 CO -0.02 0.46 0.26 0.00 0.00 0.00 0.00 178.15 178.85 3hxx h ALA 284 N 0.92 0.65 -0.34 1.87 0.00 -1.27 -1.19 119.26 119.90 3hxx h ALA 284 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hxx h ALA 284 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hxx h ALA 284 CO 0.06 -0.08 0.04 0.22 0.00 0.00 0.00 179.25 179.48 3hxx h ASP 285 N 0.51 0.55 -0.18 0.00 3.58 -1.05 -3.28 116.42 116.55 3hxx h ASP 285 Ca 0.22 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 3hxx h ASP 285 Cb 0.13 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3hxx h ASP 285 CO -0.15 0.69 -0.23 0.45 -2.88 0.00 0.00 179.24 177.11 3hxx h HIS 286 N 0.40 0.71 -0.57 0.28 3.86 -0.59 -2.35 115.15 116.89 3hxx h HIS 286 Ca 0.10 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3hxx h HIS 286 Cb 0.38 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3hxx h HIS 286 CO 0.03 0.81 0.34 0.97 0.86 0.00 0.00 177.93 180.94 3hxx h ILE 287 N 0.56 1.16 0.16 2.45 6.09 -1.30 0.17 117.51 126.80 3hxx h ILE 287 Ca 0.08 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 63.21 3hxx h ILE 287 Cb 0.70 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.35 3hxx h ILE 287 CO 0.05 0.17 -0.08 0.03 -3.07 0.00 0.00 178.15 175.25 3hxx h ARG 288 N 0.78 -0.21 -0.33 2.19 3.08 -1.49 0.28 114.38 118.69 3hxx h ARG 288 Ca 0.21 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3hxx h ARG 288 Cb -0.03 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3hxx h ARG 288 CO -0.04 -0.00 0.01 0.66 -1.07 0.00 0.00 179.97 179.53 3hxx h SER 289 N -0.38 0.56 -0.07 7.04 4.64 -1.24 -2.46 113.55 121.63 3hxx h SER 289 Ca -0.02 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3hxx h SER 289 Cb 0.30 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3hxx h SER 289 CO 0.04 0.72 0.01 0.00 -0.87 0.00 0.00 176.83 176.73 3hxx h ALA 291 N 0.78 0.56 -0.12 0.00 0.00 -0.99 -1.94 119.26 117.55 3hxx h ALA 291 Ca 0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3hxx h ALA 291 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hxx h ALA 291 CO 0.00 0.18 -0.62 0.74 0.00 0.00 0.00 179.25 179.55 3hxx h PHE 292 N 0.55 0.53 -0.33 0.00 0.04 -1.46 -0.86 116.94 115.41 3hxx h PHE 292 Ca 0.14 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3hxx h PHE 292 Cb 0.22 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3hxx h PHE 292 CO 0.00 0.92 0.16 -0.07 -0.60 0.00 0.00 178.31 178.72 3hxx h LEU 293 N 0.30 0.42 -0.37 1.54 3.38 -1.05 -0.73 115.31 118.80 3hxx h LEU 293 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hxx h LEU 293 Cb 1.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3hxx h LEU 293 CO 0.11 0.42 0.20 0.40 0.09 0.00 0.00 178.44 179.66 3hxx h ILE 294 N 0.39 1.15 0.00 1.22 2.04 -1.26 -0.88 117.51 120.17 3hxx h ILE 294 Ca 0.11 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hxx h ILE 294 Cb 0.10 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hxx h ILE 294 CO -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 178.15 178.28 3hxx h ALA 295 N 1.06 1.80 -0.24 1.87 0.00 -1.03 0.26 119.26 122.98 3hxx h ALA 295 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hxx h ALA 295 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hxx h ALA 295 CO -0.02 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 3hxx n ASP 296 N -4.25 1.60 0.00 0.00 8.00 -0.29 -4.90 116.55 116.70 3hxx n ASP 296 Ca -0.03 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3hxx n ASP 296 Cb 0.09 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3hxx n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxx n GLY 297 N 1.05 0.73 3.69 0.44 0.00 0.08 -4.76 105.19 106.42 3hxx n GLY 297 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hxx n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxx s VAL 298 N -2.00 4.80 -0.09 1.61 1.01 -0.39 -4.98 120.40 120.35 3hxx s VAL 298 Ca 0.00 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 3hxx s VAL 298 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3hxx s VAL 298 CO 0.00 0.02 0.00 -0.04 0.00 0.00 0.00 175.10 175.08 3hxx s MET 299 N 1.96 3.07 0.40 2.72 -1.94 -1.26 -3.96 119.30 120.29 3hxx s MET 299 Ca 0.47 -0.41 -0.27 0.00 -1.71 0.00 0.00 55.69 53.77 3hxx s MET 299 Cb -0.18 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 33.74 3hxx s MET 299 CO 0.18 0.65 1.48 -2.30 -0.01 0.00 0.00 175.02 175.02 3hxx n PRO 300 N 2.29 2.57 -2.95 2.03 -0.02 -1.26 -4.16 135.00 133.50 3hxx n PRO 300 Ca -0.18 0.91 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3hxx n PRO 300 Cb 0.53 -2.68 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3hxx n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hxx n SER 301 N 0.24 -1.50 -1.22 2.55 3.41 -0.91 -4.95 113.62 111.24 3hxx n SER 301 Ca 0.02 -1.99 0.08 0.00 -0.26 0.00 0.00 58.87 56.72 3hxx n SER 301 Cb 0.40 2.49 0.29 0.00 -0.26 0.00 0.00 64.21 67.13 3hxx n SER 301 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hxx n ASN 302 N -1.30 4.13 -4.00 4.04 3.02 -1.26 -2.80 115.26 117.09 3hxx n ASN 302 Ca -0.05 -2.43 -0.14 0.00 -0.03 0.00 0.00 54.58 51.93 3hxx n ASN 302 Cb 0.41 -0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 38.96 3hxx n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxx s GLU 303 N -1.79 0.45 6.54 3.52 4.04 -1.26 -4.79 118.70 125.41 3hxx s GLU 303 Ca 0.43 -0.44 0.00 0.00 0.04 0.00 0.00 54.97 55.00 3hxx s GLU 303 Cb 0.28 -0.33 0.00 0.00 0.02 0.00 0.00 34.13 34.10 3hxx s GLU 303 CO 0.20 0.08 0.00 0.09 -1.84 0.00 0.00 175.26 173.79 3hxx n ASN 304 N 2.28 0.00 -0.26 0.83 3.02 -1.26 -2.27 115.26 117.60 3hxx n ASN 304 Ca -0.17 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.32 3hxx n ASN 304 Cb 0.57 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.79 3hxx n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxx h ARG 305 N 0.00 1.04 -0.73 3.52 3.08 -1.95 -2.57 114.38 116.76 3hxx h ARG 305 Ca 0.00 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 59.98 3hxx h ARG 305 Cb 0.00 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3hxx h ARG 305 CO 0.00 0.82 0.48 0.78 -1.07 0.00 0.00 179.97 180.98 3hxx h GLY 306 N 1.01 0.92 1.57 0.04 0.00 -1.61 -2.01 103.07 102.99 3hxx h GLY 306 Ca 0.25 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 3hxx h GLY 306 CO -0.03 0.17 -0.76 -1.82 0.00 0.00 0.00 176.54 174.11 3hxx h TYR 307 N 0.67 0.57 -0.38 5.60 3.20 -1.09 -0.92 116.97 124.62 3hxx h TYR 307 Ca 0.33 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3hxx h TYR 307 Cb 0.41 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3hxx h TYR 307 CO -0.00 1.02 0.20 0.28 -1.64 0.00 0.00 178.16 178.02 3hxx h VAL 308 N 0.28 1.16 0.34 1.81 2.07 -1.18 0.21 116.25 120.93 3hxx h VAL 308 Ca -0.04 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3hxx h VAL 308 Cb 1.34 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3hxx h VAL 308 CO 0.13 0.16 -0.36 0.25 0.02 0.00 0.00 177.57 177.77 3hxx h LEU 309 N 0.49 -0.98 -0.56 2.57 5.85 -1.34 -1.29 115.31 120.05 3hxx h LEU 309 Ca 0.13 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3hxx h LEU 309 Cb 0.08 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3hxx h LEU 309 CO -0.02 -0.50 0.09 -0.09 -0.34 0.00 0.00 178.44 177.58 3hxx h ARG 310 N -0.73 0.21 -0.58 1.25 2.43 -1.02 0.13 114.38 116.08 3hxx h ARG 310 Ca -0.02 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3hxx h ARG 310 Cb 0.67 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3hxx h ARG 310 CO -0.08 0.14 0.22 0.00 -1.51 0.00 0.00 179.97 178.75 3hxx h ARG 311 N 0.22 0.40 -0.33 0.20 3.08 -0.35 -0.35 114.38 117.25 3hxx h ARG 311 Ca 0.29 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 3hxx h ARG 311 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hxx h ARG 311 CO -0.39 0.27 -0.02 0.82 -1.07 0.00 0.00 179.97 179.58 3hxx h ILE 312 N 0.42 1.26 -0.27 2.04 2.04 -0.37 -1.78 117.51 120.85 3hxx h ILE 312 Ca 0.28 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.19 3hxx h ILE 312 Cb 0.32 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3hxx h ILE 312 CO -0.27 0.33 -0.01 0.40 0.00 0.00 0.00 178.15 178.60 3hxx h ILE 313 N 0.39 0.79 -0.18 -0.67 2.04 -0.65 -1.62 117.51 117.60 3hxx h ILE 313 Ca 0.09 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 3hxx h ILE 313 Cb 0.47 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3hxx h ILE 313 CO 0.02 0.01 -0.28 0.03 0.00 0.00 0.00 178.15 177.93 3hxx h ARG 314 N 0.07 0.35 -0.49 2.37 3.08 -0.99 -1.17 114.38 117.60 3hxx h ARG 314 Ca 0.13 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hxx h ARG 314 Cb 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hxx h ARG 314 CO -0.23 0.61 -0.12 0.00 -1.07 0.00 0.00 179.97 179.17 3hxx h ARG 315 N 0.31 0.92 -0.66 0.04 3.08 -1.01 -1.06 114.38 116.00 3hxx h ARG 315 Ca 0.04 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 3hxx h ARG 315 Cb 0.67 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3hxx h ARG 315 CO 0.05 0.98 0.08 0.00 -1.07 0.00 0.00 179.97 180.02 3hxx h ALA 316 N 1.04 0.88 -0.67 0.04 0.00 -0.85 -0.98 119.26 118.72 3hxx h ALA 316 Ca 0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3hxx h ALA 316 Cb 0.65 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hxx h ALA 316 CO 0.05 0.67 0.12 0.28 0.00 0.00 0.00 179.25 180.36 3hxx h VAL 317 N 1.03 1.26 -0.47 0.00 2.07 -1.09 -0.50 116.25 118.54 3hxx h VAL 317 Ca 0.20 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hxx h VAL 317 Cb 0.47 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hxx h VAL 317 CO 0.02 0.39 0.23 -0.09 0.02 0.00 0.00 177.57 178.13 3hxx h ARG 318 N 1.03 0.68 -0.35 1.57 1.12 -0.96 -1.03 114.38 116.45 3hxx h ARG 318 Ca 0.21 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 58.93 3hxx h ARG 318 Cb 0.43 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.25 3hxx h ARG 318 CO 0.01 0.58 0.04 0.45 -3.11 0.00 0.00 179.97 177.94 3hxx h HIS 319 N 0.62 0.53 -0.73 2.20 3.86 -1.00 -1.92 115.15 118.72 3hxx h HIS 319 Ca 0.16 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3hxx h HIS 319 Cb 0.12 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 3hxx h HIS 319 CO -0.01 0.50 0.46 0.78 0.86 0.00 0.00 177.93 180.52 3hxx h GLY 320 N 0.79 1.05 0.72 2.45 0.00 -0.45 -1.96 103.07 105.67 3hxx h GLY 320 Ca 0.11 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.14 3hxx h GLY 320 CO 0.00 0.30 0.16 -0.57 0.00 0.00 0.00 176.54 176.43 3hxx h ASN 321 N 0.90 0.20 0.25 0.19 -1.24 -0.48 -1.93 115.58 113.47 3hxx h ASN 321 Ca 0.29 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 3hxx h ASN 321 Cb 0.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 3hxx h ASN 321 CO -0.11 0.15 -0.10 -0.03 -1.29 0.00 0.00 177.43 176.06 3hxx h MET 322 N 0.33 0.00 0.00 6.67 4.05 -0.91 0.37 114.93 125.43 3hxx h MET 322 Ca 0.17 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hxx h MET 322 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3hxx h MET 322 CO -0.15 0.10 0.00 -0.07 0.23 0.00 0.00 176.91 177.02 3hxx h LEU 323 N 0.00 0.00 0.00 3.39 3.38 -0.64 -3.47 115.31 117.97 3hxx h LEU 323 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hxx h LEU 323 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hxx h LEU 323 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3hxx n GLY 324 N 0.93 0.97 3.68 0.83 0.00 0.12 -4.41 105.19 107.31 3hxx n GLY 324 Ca 0.04 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3hxx n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxx n ALA 325 N -1.84 1.01 0.29 4.61 0.00 -0.83 -4.90 120.51 118.86 3hxx n ALA 325 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.85 3hxx n ALA 325 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 3hxx n ALA 325 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hxx n LYS 326 N 0.90 4.37 -4.07 0.00 5.02 -1.26 -4.79 118.16 118.32 3hxx n LYS 326 Ca 0.07 -0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 3hxx n LYS 326 Cb 0.34 -0.83 -0.09 0.00 -0.02 0.00 0.00 35.03 34.43 3hxx n LYS 326 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hxx s GLU 327 N -1.47 0.85 0.01 1.97 -1.05 -1.26 -5.11 118.70 112.63 3hxx s GLU 327 Ca 0.03 -1.28 -0.37 0.00 -0.15 0.00 0.00 54.97 53.20 3hxx s GLU 327 Cb 0.05 0.26 -0.16 0.00 -0.44 0.00 0.00 34.13 33.84 3hxx s GLU 327 CO 0.24 -0.23 1.49 2.41 0.95 0.00 0.00 175.26 180.11 3hxx n THR 328 N -0.04 0.10 0.00 1.83 -1.04 -1.26 -4.85 114.28 109.02 3hxx n THR 328 Ca -0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3hxx n THR 328 Cb 0.63 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3hxx n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxx n PHE 329 N 3.46 0.00 -0.26 -1.42 1.16 -1.26 -4.91 117.46 114.24 3hxx n PHE 329 Ca 0.20 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.73 3hxx n PHE 329 Cb 0.20 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.12 3hxx n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxx h PHE 330 N 0.00 0.93 0.00 2.97 3.57 -1.91 -0.83 116.94 121.67 3hxx h PHE 330 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hxx h PHE 330 Cb 0.56 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3hxx h PHE 330 CO 0.00 0.62 0.00 0.10 -2.23 0.00 0.00 178.31 176.80 3hxx h TYR 331 N 0.97 0.00 0.00 0.41 -0.00 -1.87 -2.44 116.97 114.04 3hxx h TYR 331 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.99 3hxx h TYR 331 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.68 3hxx h TYR 331 CO -0.01 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.78 3hxx n LYS 332 N -2.68 0.46 0.00 0.10 5.02 -0.32 -3.06 118.16 117.68 3hxx n LYS 332 Ca -0.01 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3hxx n LYS 332 Cb 0.15 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.78 3hxx n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxx n LEU 333 N -1.26 1.81 -0.10 -0.35 4.77 -0.92 -4.21 117.00 116.74 3hxx n LEU 333 Ca 0.14 -0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 55.37 3hxx n LEU 333 Cb 0.22 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hxx n LEU 333 CO 0.22 0.33 0.71 0.58 -1.33 0.00 0.00 177.39 177.90 3hxx h VAL 334 N 2.25 1.28 0.37 4.08 2.07 -1.73 -0.44 116.25 124.13 3hxx h VAL 334 Ca 0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3hxx h VAL 334 Cb 0.70 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3hxx h VAL 334 CO 0.00 0.35 -0.38 1.23 0.02 0.00 0.00 177.57 178.79 3hxx h GLY 335 N 0.33 -1.13 0.15 2.17 0.00 -1.80 -0.25 103.07 102.54 3hxx h GLY 335 Ca 0.07 0.53 0.24 0.00 0.00 0.00 0.00 47.33 48.17 3hxx h GLY 335 CO 0.03 -0.35 0.64 -2.55 0.00 0.00 0.00 176.54 174.31 3hxx h PRO 336 N -0.76 0.24 -0.05 4.80 0.11 -1.77 -1.89 132.00 132.69 3hxx h PRO 336 Ca -0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3hxx h PRO 336 Cb 0.66 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3hxx h PRO 336 CO -0.06 0.16 -0.07 1.25 -0.21 0.00 0.00 178.00 179.07 3hxx h LEU 337 N 0.25 0.16 -0.76 2.35 5.85 -0.68 -2.92 115.31 119.55 3hxx h LEU 337 Ca 0.49 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.85 3hxx h LEU 337 Cb 1.47 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.35 3hxx h LEU 337 CO -0.13 0.64 0.25 0.40 -0.34 0.00 0.00 178.44 179.26 3hxx h ILE 338 N -0.33 0.56 -0.48 4.05 2.04 -0.26 -2.48 117.51 120.61 3hxx h ILE 338 Ca 0.01 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3hxx h ILE 338 Cb 0.61 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3hxx h ILE 338 CO 0.02 0.06 -0.01 -0.78 0.00 0.00 0.00 178.15 177.44 3hxx h ASP 339 N 0.35 0.84 1.21 1.72 3.58 -1.42 -2.93 116.42 119.77 3hxx h ASP 339 Ca 0.43 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3hxx h ASP 339 Cb 0.72 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3hxx h ASP 339 CO -0.48 0.95 0.00 -0.37 -2.88 0.00 0.00 179.24 176.47 3hxx h VAL 340 N 0.71 0.00 0.00 2.25 -1.51 -1.28 -3.20 116.25 113.22 3hxx h VAL 340 Ca 0.14 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3hxx h VAL 340 Cb 0.53 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3hxx h VAL 340 CO 0.03 0.00 -0.44 0.23 -1.23 0.00 0.00 177.57 176.16 3hxx n MET 341 N -2.43 0.06 0.00 5.19 2.81 -0.96 -4.91 117.12 116.88 3hxx n MET 341 Ca 0.04 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3hxx n MET 341 Cb 0.36 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3hxx n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxx n GLY 342 N 1.47 3.41 0.28 3.03 0.00 -1.21 -1.25 105.19 110.92 3hxx n GLY 342 Ca 0.05 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3hxx n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxx h SER 343 N 0.00 0.00 -0.09 1.61 4.64 -1.94 -0.87 113.55 116.90 3hxx h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxx h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxx h SER 343 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3hxx n ALA 344 N -2.34 2.52 -0.02 5.18 0.00 -0.38 -3.61 120.51 121.86 3hxx n ALA 344 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.22 3hxx n ALA 344 Cb 0.15 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.58 3hxx n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxx n GLY 345 N 0.77 2.10 0.07 0.00 0.00 -0.33 -4.76 105.19 103.05 3hxx n GLY 345 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 3hxx n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hxx h GLU 346 N 0.98 0.01 -0.19 1.61 5.08 -1.66 -1.36 114.58 119.05 3hxx h GLU 346 Ca 0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3hxx h GLU 346 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3hxx h GLU 346 CO 0.00 0.94 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.40 3hxx h ASP 347 N 0.00 0.42 -0.71 1.42 3.45 -1.86 -2.64 116.42 116.49 3hxx h ASP 347 Ca -0.01 -0.43 -0.00 0.00 0.43 0.00 0.00 57.03 57.02 3hxx h ASP 347 Cb 1.66 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 40.28 3hxx h ASP 347 CO 0.12 0.76 0.43 0.25 -1.57 0.00 0.00 179.24 179.23 3hxx h LEU 348 N 0.08 0.86 -0.80 1.55 5.85 -1.88 -2.72 115.31 118.26 3hxx h LEU 348 Ca 0.04 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3hxx h LEU 348 Cb 0.61 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3hxx h LEU 348 CO 0.03 0.66 0.35 0.50 -0.34 0.00 0.00 178.44 179.64 3hxx h LYS 349 N 0.99 1.17 -0.96 1.25 3.64 -1.14 -0.73 116.57 120.79 3hxx h LYS 349 Ca 0.26 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hxx h LYS 349 Cb -0.04 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 3hxx h LYS 349 CO -0.05 0.93 0.59 0.00 -2.27 0.00 0.00 179.45 178.65 3hxx h ARG 350 N 1.14 1.30 -0.59 1.90 3.08 -1.17 -2.89 114.38 117.15 3hxx h ARG 350 Ca 0.27 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3hxx h ARG 350 Cb 0.17 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3hxx h ARG 350 CO -0.03 0.89 0.08 1.04 -1.07 0.00 0.00 179.97 180.89 3hxx n GLN 351 N -4.36 4.29 -0.27 0.04 6.02 -0.91 -4.68 117.38 117.52 3hxx n GLN 351 Ca 0.11 -3.12 0.01 0.00 -0.01 0.00 0.00 57.00 53.99 3hxx n GLN 351 Cb 0.05 -2.21 0.14 0.00 1.02 0.00 0.00 30.24 29.24 3hxx n GLN 351 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hxx h GLN 352 N 3.31 0.72 -0.22 -1.09 4.15 -0.93 -1.28 115.11 119.78 3hxx h GLN 352 Ca 0.09 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3hxx h GLN 352 Cb 2.04 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.56 3hxx h GLN 352 CO 0.54 0.48 0.02 0.00 -1.93 0.00 0.00 178.83 177.94 3hxx h ALA 353 N 1.41 0.29 -0.25 3.38 0.00 -1.85 -0.66 119.26 121.58 3hxx h ALA 353 Ca 0.35 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hxx h ALA 353 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hxx h ALA 353 CO -0.22 -0.01 0.09 1.96 0.00 0.00 0.00 179.25 181.07 3hxx h GLN 354 N 0.15 0.20 -0.44 0.00 4.20 -1.82 -1.14 115.11 116.27 3hxx h GLN 354 Ca 0.06 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3hxx h GLN 354 Cb 0.36 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3hxx h GLN 354 CO 0.01 0.13 0.11 0.28 -0.67 0.00 0.00 178.83 178.69 3hxx h VAL 355 N 0.21 1.23 -0.75 -0.54 2.07 -1.17 -1.52 116.25 115.78 3hxx h VAL 355 Ca 0.11 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3hxx h VAL 355 Cb 0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3hxx h VAL 355 CO -0.10 0.28 0.34 -0.33 0.02 0.00 0.00 177.57 177.78 3hxx h GLU 356 N 0.57 1.09 -0.31 1.57 5.08 -0.99 -1.75 114.58 119.85 3hxx h GLU 356 Ca 0.14 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3hxx h GLU 356 Cb 0.32 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3hxx h GLU 356 CO 0.00 0.86 -0.22 0.37 -1.00 0.00 0.00 179.01 179.03 3hxx h GLN 357 N 1.08 0.70 -0.28 2.33 5.75 -0.96 0.11 115.11 123.84 3hxx h GLN 357 Ca 0.26 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3hxx h GLN 357 Cb 0.15 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3hxx h GLN 357 CO -0.03 0.94 0.05 0.28 -2.65 0.00 0.00 178.83 177.42 3hxx h VAL 358 N 0.46 0.86 -0.29 2.39 2.07 -1.16 -0.08 116.25 120.49 3hxx h VAL 358 Ca 0.06 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3hxx h VAL 358 Cb 0.77 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hxx h VAL 358 CO 0.06 0.03 -0.30 -0.07 0.02 0.00 0.00 177.57 177.31 3hxx h LEU 359 N 0.15 0.63 -0.17 2.57 3.38 -1.22 -1.20 115.31 119.45 3hxx h LEU 359 Ca 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hxx h LEU 359 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hxx h LEU 359 CO -0.17 0.89 -0.02 0.50 0.09 0.00 0.00 178.44 179.72 3hxx h LYS 360 N 0.52 0.33 -0.54 1.13 3.64 -0.54 -1.73 116.57 119.38 3hxx h LYS 360 Ca 0.07 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hxx h LYS 360 Cb 0.78 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3hxx h LYS 360 CO 0.06 0.57 0.33 1.15 -2.27 0.00 0.00 179.45 179.29 3hxx h THR 361 N 0.05 1.16 -0.48 1.00 2.02 -0.90 -0.99 112.91 114.76 3hxx h THR 361 Ca 0.05 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3hxx h THR 361 Cb 0.44 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3hxx h THR 361 CO 0.01 0.16 0.22 -0.33 0.37 0.00 0.00 175.52 175.95 3hxx h GLU 362 N 0.72 0.70 -0.35 6.66 4.39 -1.20 -1.02 114.58 124.49 3hxx h GLU 362 Ca 0.19 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3hxx h GLU 362 Cb -0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3hxx h GLU 362 CO -0.04 0.61 -0.09 1.49 -1.16 0.00 0.00 179.01 179.81 3hxx h GLU 363 N 0.63 0.69 -0.84 2.33 4.81 -1.10 -2.24 114.58 118.86 3hxx h GLU 363 Ca 0.16 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hxx h GLU 363 Cb 0.15 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3hxx h GLU 363 CO -0.02 0.85 0.54 0.93 -0.73 0.00 0.00 179.01 180.58 3hxx h GLU 364 N 0.48 1.12 -0.52 1.92 5.08 -1.08 -0.14 114.58 121.44 3hxx h GLU 364 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3hxx h GLU 364 Cb 0.60 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3hxx h GLU 364 CO 0.04 0.77 0.27 0.37 -1.00 0.00 0.00 179.01 179.45 3hxx h GLN 365 N 1.15 0.74 0.00 2.33 5.75 -1.10 -2.99 115.11 120.99 3hxx h GLN 365 Ca 0.31 -0.10 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 3hxx h GLN 365 Cb -0.09 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 3hxx h GLN 365 CO -0.06 0.60 -0.61 0.35 -2.65 0.00 0.00 178.83 176.46 3hxx h PHE 366 N 0.69 0.00 0.00 3.99 3.57 -1.09 -3.10 116.94 121.01 3hxx h PHE 366 Ca 0.18 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hxx h PHE 366 Cb 0.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3hxx h PHE 366 CO -0.01 0.61 -0.07 0.00 -2.23 0.00 0.00 178.31 176.61 3hxx h ALA 367 N 1.39 1.63 -0.87 2.41 0.00 -0.88 -1.04 119.26 121.90 3hxx h ALA 367 Ca -0.01 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.03 3hxx h ALA 367 Cb 1.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3hxx h ALA 367 CO 0.08 0.09 0.58 0.00 0.00 0.00 0.00 179.25 180.00 3hxx h ARG 368 N 0.00 0.36 0.00 0.00 3.08 -1.54 -3.25 114.38 113.03 3hxx h ARG 368 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hxx h ARG 368 Cb 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hxx h ARG 368 CO 0.01 0.24 -0.56 0.25 -1.07 0.00 0.00 179.97 178.84 3hxx n THR 369 N -4.49 0.00 0.21 2.04 -2.24 -0.81 -4.86 114.28 104.13 3hxx n THR 369 Ca 0.18 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 3hxx n THR 369 Cb 0.69 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 3hxx n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxx h LEU 370 N 0.00 -1.24 -1.34 3.22 5.85 -1.25 0.11 115.31 120.65 3hxx h LEU 370 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hxx h LEU 370 Cb 0.01 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3hxx h LEU 370 CO 0.00 -0.55 0.45 -0.33 -0.34 0.00 0.00 178.44 177.67 3hxx h GLU 371 N -0.81 0.88 -0.39 1.25 5.08 -1.87 0.95 114.58 119.68 3hxx h GLU 371 Ca -0.04 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 3hxx h GLU 371 Cb 0.72 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hxx h GLU 371 CO -0.11 0.58 -0.33 0.00 -1.00 0.00 0.00 179.01 178.16 3hxx h ARG 372 N 0.91 0.92 -0.75 2.33 3.08 -1.82 -0.33 114.38 118.72 3hxx h ARG 372 Ca 0.25 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3hxx h ARG 372 Cb -0.10 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3hxx h ARG 372 CO -0.05 1.12 0.43 0.78 -1.07 0.00 0.00 179.97 181.18 3hxx h GLY 373 N 0.74 1.11 1.15 0.04 0.00 -0.14 -0.97 103.07 104.99 3hxx h GLY 373 Ca 0.07 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3hxx h GLY 373 CO 0.09 0.47 0.07 1.41 0.00 0.00 0.00 176.54 178.57 3hxx h LEU 374 N 1.03 1.00 -0.35 3.11 3.38 -0.59 0.13 115.31 123.02 3hxx h LEU 374 Ca 0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hxx h LEU 374 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hxx h LEU 374 CO -0.05 1.01 0.20 0.00 0.09 0.00 0.00 178.44 179.70 3hxx h ALA 375 N 1.10 0.45 -0.20 1.53 0.00 -0.87 0.53 119.26 121.80 3hxx h ALA 375 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hxx h ALA 375 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hxx h ALA 375 CO 0.02 -0.04 0.12 1.25 0.00 0.00 0.00 179.25 180.60 3hxx h LEU 376 N 0.45 0.21 -0.36 0.00 5.85 -0.83 -0.62 115.31 120.00 3hxx h LEU 376 Ca 0.12 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3hxx h LEU 376 Cb 0.03 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3hxx h LEU 376 CO -0.02 0.15 0.18 0.25 -0.34 0.00 0.00 178.44 178.66 3hxx h LEU 377 N 0.26 0.27 -1.01 2.25 5.85 -0.60 -0.40 115.31 121.93 3hxx h LEU 377 Ca 0.08 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hxx h LEU 377 Cb -0.02 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3hxx h LEU 377 CO -0.03 0.20 0.65 0.44 -0.34 0.00 0.00 178.44 179.37 3hxx h ASP 378 N 0.38 1.05 -0.56 1.25 5.19 -0.68 0.09 116.42 123.14 3hxx h ASP 378 Ca 0.15 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.53 3hxx h ASP 378 Cb 0.06 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3hxx h ASP 378 CO -0.10 0.68 0.18 -0.08 -3.12 0.00 0.00 179.24 176.79 3hxx h GLU 379 N 1.19 0.87 0.00 3.56 4.81 -0.36 -2.11 114.58 122.54 3hxx h GLU 379 Ca 0.43 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3hxx h GLU 379 Cb 0.15 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3hxx h GLU 379 CO -0.17 0.79 -0.74 0.93 -0.73 0.00 0.00 179.01 179.09 3hxx h GLU 380 N 0.78 0.00 0.00 1.92 4.39 -0.48 -2.99 114.58 118.20 3hxx h GLU 380 Ca 0.18 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 3hxx h GLU 380 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3hxx h GLU 380 CO -0.01 0.74 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.10 3hxx h LEU 381 N 0.00 0.00 -0.43 1.33 3.38 -0.90 -2.49 115.31 116.21 3hxx h LEU 381 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3hxx h LEU 381 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3hxx h LEU 381 CO 0.10 0.41 -0.78 0.00 0.09 0.00 0.00 178.44 178.25 3hxx h ALA 382 N 1.59 0.68 -0.18 1.53 0.00 -1.24 -3.20 119.26 118.44 3hxx h ALA 382 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hxx h ALA 382 Cb 1.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hxx h ALA 382 CO 0.05 0.91 0.00 0.36 0.00 0.00 0.00 179.25 180.57 3hxx n LYS 383 N -3.68 2.35 -2.60 0.00 2.85 -1.15 -4.95 118.16 110.98 3hxx n LYS 383 Ca -0.02 -2.00 -0.41 0.00 -1.05 0.00 0.00 58.31 54.83 3hxx n LYS 383 Cb 0.75 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.61 3hxx n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxx s LEU 384 N -1.78 4.46 -0.16 -5.58 2.96 -0.94 -5.05 118.68 112.59 3hxx s LEU 384 Ca 0.33 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 56.14 3hxx s LEU 384 Cb 0.21 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 3hxx s LEU 384 CO 0.31 -0.20 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.13 3hxx s SER 385 N 0.20 4.47 0.00 3.68 1.04 -1.26 -5.02 113.70 116.81 3hxx s SER 385 Ca 0.50 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3hxx s SER 385 Cb -0.26 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.13 3hxx s SER 385 CO 0.32 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.28 3hxx n GLY 386 N 3.74 1.37 1.53 7.32 0.00 -1.26 -4.79 105.19 113.10 3hxx n GLY 386 Ca -0.18 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 43.84 3hxx n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxx n ASP 387 N 0.00 4.54 -3.74 1.61 5.75 -1.26 -4.88 116.55 118.57 3hxx n ASP 387 Ca 0.00 -2.51 -0.20 0.00 -0.01 0.00 0.00 54.79 52.08 3hxx n ASP 387 Cb 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 41.12 39.34 3hxx n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxx s THR 388 N -2.01 0.09 0.05 2.12 2.01 -1.26 0.01 115.64 116.66 3hxx s THR 388 Ca 0.46 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 3hxx s THR 388 Cb 0.31 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.50 3hxx s THR 388 CO 0.20 0.19 1.13 -0.22 -0.69 0.00 0.00 174.62 175.23 3hxx s LEU 389 N 1.75 4.38 0.56 4.42 2.96 0.49 -4.88 118.68 128.36 3hxx s LEU 389 Ca 0.00 1.93 -0.19 0.00 -0.22 0.00 0.00 54.13 55.65 3hxx s LEU 389 Cb -0.13 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3hxx s LEU 389 CO -0.03 -0.39 1.18 1.51 -1.32 0.00 0.00 176.35 177.30 3hxx s ASP 390 N 0.95 5.45 0.05 3.68 3.84 -1.26 -0.99 116.67 128.39 3hxx s ASP 390 Ca 0.56 2.32 0.14 0.00 -0.00 0.00 0.00 52.55 55.58 3hxx s ASP 390 Cb -0.27 -2.59 0.61 0.00 -1.38 0.00 0.00 42.92 39.29 3hxx s ASP 390 CO 0.29 -1.41 1.45 0.61 -0.00 0.00 0.00 175.17 176.11 3hxx n GLY 391 N 0.39 -0.98 0.11 2.12 0.00 -1.25 -2.55 105.19 103.05 3hxx n GLY 391 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hxx n GLY 391 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hxx h GLU 392 N 0.00 0.27 -0.41 1.61 4.81 -1.90 -0.63 114.58 118.33 3hxx h GLU 392 Ca 0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3hxx h GLU 392 Cb 0.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3hxx h GLU 392 CO 0.00 0.73 0.14 1.15 -0.73 0.00 0.00 179.01 180.30 3hxx h THR 393 N -0.17 1.21 -0.86 0.32 2.02 -1.88 -0.56 112.91 112.99 3hxx h THR 393 Ca 0.01 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.52 3hxx h THR 393 Cb 0.71 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3hxx h THR 393 CO 0.03 0.25 0.57 0.00 0.37 0.00 0.00 175.52 176.74 3hxx h ALA 394 N 0.98 1.44 -0.38 6.16 0.00 -1.55 0.90 119.26 126.80 3hxx h ALA 394 Ca 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3hxx h ALA 394 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hxx h ALA 394 CO -0.01 0.49 -0.27 0.35 0.00 0.00 0.00 179.25 179.82 3hxx h PHE 395 N 1.10 0.93 -0.27 0.00 3.57 -0.78 -1.86 116.94 119.63 3hxx h PHE 395 Ca 0.33 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3hxx h PHE 395 Cb -0.03 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3hxx h PHE 395 CO -0.00 0.98 0.12 -0.09 -2.23 0.00 0.00 178.31 177.09 3hxx h ARG 396 N 0.69 0.40 -1.00 1.11 9.65 -0.26 0.33 114.38 125.30 3hxx h ARG 396 Ca 0.08 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 3hxx h ARG 396 Cb 0.80 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.25 3hxx h ARG 396 CO 0.07 0.42 0.65 -0.07 2.80 0.00 0.00 179.97 183.84 3hxx h LEU 397 N 0.30 1.06 0.02 3.80 3.38 -0.78 -1.18 115.31 121.91 3hxx h LEU 397 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hxx h LEU 397 Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hxx h LEU 397 CO -0.01 0.70 -0.01 0.22 0.09 0.00 0.00 178.44 179.43 3hxx h TYR 398 N 1.21 -0.03 -0.19 1.13 3.20 -0.98 -1.24 116.97 120.08 3hxx h TYR 398 Ca 0.42 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.18 3hxx h TYR 398 Cb 0.10 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3hxx h TYR 398 CO -0.00 0.40 -0.32 0.22 -1.64 0.00 0.00 178.16 176.81 3hxx h ASP 399 N -0.46 0.61 0.07 -2.11 3.58 -0.06 -1.79 116.42 116.26 3hxx h ASP 399 Ca -0.00 -0.53 -0.32 0.00 0.42 0.00 0.00 57.03 56.59 3hxx h ASP 399 Cb 0.44 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3hxx h ASP 399 CO 0.01 1.03 -1.78 0.41 -2.88 0.00 0.00 179.24 176.02 3hxx n THR 400 N -4.33 1.68 0.98 2.25 -1.04 -0.47 -4.58 114.28 108.77 3hxx n THR 400 Ca -0.06 -0.43 0.10 0.00 -2.04 0.00 0.00 64.05 61.63 3hxx n THR 400 Cb 0.49 -1.84 -0.09 0.00 -1.82 0.00 0.00 70.33 67.07 3hxx n THR 400 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hxx n TYR 401 N -3.83 0.00 -1.35 -1.42 4.01 -0.88 -4.98 117.16 108.70 3hxx n TYR 401 Ca -0.33 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.37 3hxx n TYR 401 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.93 3hxx n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxx n GLY 402 N 1.47 0.52 3.62 2.72 0.00 -0.63 -4.67 105.19 108.21 3hxx n GLY 402 Ca 0.05 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3hxx n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxx s PHE 403 N -2.13 2.67 0.62 1.61 0.40 -0.56 -4.92 117.98 115.66 3hxx s PHE 403 Ca 0.00 0.82 -0.19 0.00 -0.60 0.00 0.00 56.93 56.96 3hxx s PHE 403 Cb 0.00 -4.09 -0.02 0.00 0.51 0.00 0.00 43.02 39.41 3hxx s PHE 403 CO 0.00 -1.63 1.26 -2.30 0.70 0.00 0.00 175.22 173.25 3hxx n PRO 404 N 7.58 1.20 -0.14 0.24 -0.02 -1.26 -3.21 135.00 139.39 3hxx n PRO 404 Ca 0.15 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3hxx n PRO 404 Cb 0.47 -2.49 0.39 0.00 -0.02 0.00 0.00 33.50 31.86 3hxx n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxx h VAL 405 N 0.71 1.00 0.00 -1.45 3.04 -1.96 -0.93 116.25 116.66 3hxx h VAL 405 Ca -0.51 -0.22 -0.10 0.00 -1.01 0.00 0.00 66.70 64.86 3hxx h VAL 405 Cb 1.34 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 3hxx h VAL 405 CO 0.53 0.12 -0.46 -2.24 -1.01 0.00 0.00 177.57 174.51 3hxx h ASP 406 N 0.65 0.00 -0.06 3.17 3.04 -1.98 -0.25 116.42 121.00 3hxx h ASP 406 Ca 0.29 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.07 3hxx h ASP 406 Cb 0.30 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.59 3hxx h ASP 406 CO -0.09 0.46 -0.01 0.25 -2.04 0.00 0.00 179.24 177.81 3hxx h LEU 407 N 0.00 0.11 -0.64 0.15 6.46 -1.54 -0.56 115.31 119.29 3hxx h LEU 407 Ca -0.00 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 3hxx h LEU 407 Cb 0.98 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.83 3hxx h LEU 407 CO 0.06 0.43 0.32 0.74 -0.62 0.00 0.00 178.44 179.38 3hxx h THR 408 N -0.22 0.91 -0.51 1.05 2.02 -1.26 -2.03 112.91 112.87 3hxx h THR 408 Ca 0.01 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 3hxx h THR 408 Cb 0.38 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3hxx h THR 408 CO 0.00 0.11 0.15 0.00 0.37 0.00 0.00 175.52 176.15 3hxx h ALA 409 N 1.36 1.30 -0.32 6.16 0.00 -0.96 -1.67 119.26 125.13 3hxx h ALA 409 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hxx h ALA 409 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hxx h ALA 409 CO -0.21 0.50 0.17 0.22 0.00 0.00 0.00 179.25 179.93 3hxx h ASP 410 N 0.75 0.41 -0.16 0.00 3.58 -0.42 0.15 116.42 120.72 3hxx h ASP 410 Ca 0.17 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3hxx h ASP 410 Cb 0.23 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3hxx h ASP 410 CO -0.01 0.38 0.11 0.58 -2.88 0.00 0.00 179.24 177.42 3hxx h VAL 411 N 0.40 1.05 -0.67 2.25 2.07 -1.17 -3.09 116.25 117.09 3hxx h VAL 411 Ca 0.11 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3hxx h VAL 411 Cb 0.07 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hxx h VAL 411 CO -0.02 0.05 0.20 0.00 0.02 0.00 0.00 177.57 177.82 3hxx h ARG 413 N 1.00 0.86 0.00 0.00 2.43 -0.59 0.62 114.38 118.70 3hxx h ARG 413 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3hxx h ARG 413 Cb 0.30 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hxx h ARG 413 CO -0.01 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 179.41 3hxx n GLU 414 N -4.68 0.09 -0.11 0.20 1.02 -1.02 -1.19 120.64 114.94 3hxx n GLU 414 Ca 0.14 0.51 0.04 0.00 -0.02 0.00 0.00 57.16 57.84 3hxx n GLU 414 Cb 0.27 -1.75 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3hxx n GLU 414 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hxx n ARG 415 N -1.93 2.62 -2.58 3.49 1.74 0.07 -4.97 116.66 115.10 3hxx n ARG 415 Ca 0.00 -2.02 -0.15 0.00 -0.77 0.00 0.00 57.85 54.91 3hxx n ARG 415 Cb 0.08 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3hxx n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxx n ASN 416 N -0.43 -4.66 -4.27 0.55 3.02 -0.33 -5.02 115.26 104.11 3hxx n ASN 416 Ca 0.09 -0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 3hxx n ASN 416 Cb 0.45 -3.64 -0.16 0.00 -0.61 0.00 0.00 39.78 35.81 3hxx n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxx s ILE 417 N -2.88 2.19 0.62 2.41 -1.09 -0.40 -4.94 121.20 117.11 3hxx s ILE 417 Ca 0.13 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.50 3hxx s ILE 417 Cb -0.06 -1.81 0.04 0.00 -1.58 0.00 0.00 42.46 39.05 3hxx s ILE 417 CO 0.16 0.57 0.90 -0.54 -1.23 0.00 0.00 174.94 174.79 3hxx s LYS 418 N -0.03 2.50 -0.09 2.79 1.02 0.10 -2.92 119.74 123.11 3hxx s LYS 418 Ca -0.07 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.58 3hxx s LYS 418 Cb -0.15 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3hxx s LYS 418 CO 0.05 -0.91 -0.22 0.08 -0.92 0.00 0.00 175.35 173.42 3hxx s VAL 419 N -3.01 1.92 -0.84 3.17 1.01 -1.26 -0.38 120.40 121.00 3hxx s VAL 419 Ca 0.57 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3hxx s VAL 419 Cb -0.11 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3hxx s VAL 419 CO 0.42 0.53 1.63 -0.62 0.00 0.00 0.00 175.10 177.06 3hxx s ASP 420 N 0.36 5.82 0.20 3.32 2.15 -0.16 -4.81 116.67 123.54 3hxx s ASP 420 Ca -0.18 -0.66 -0.03 0.00 0.43 0.00 0.00 52.55 52.11 3hxx s ASP 420 Cb -0.17 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.02 3hxx s ASP 420 CO 0.08 -2.09 1.52 -0.33 -0.17 0.00 0.00 175.17 174.18 3hxx h GLU 421 N 11.27 0.57 -0.46 4.34 5.08 -1.97 -2.15 114.58 131.26 3hxx h GLU 421 Ca -0.03 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3hxx h GLU 421 Cb 1.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3hxx h GLU 421 CO 1.30 0.95 0.14 0.00 -1.00 0.00 0.00 179.01 180.39 3hxx h ALA 422 N 0.99 0.60 -0.70 3.43 0.00 -1.99 -0.60 119.26 120.99 3hxx h ALA 422 Ca 0.02 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hxx h ALA 422 Cb 1.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3hxx h ALA 422 CO 0.10 0.26 0.46 0.78 0.00 0.00 0.00 179.25 180.85 3hxx h GLY 423 N 0.60 0.92 0.76 0.00 0.00 -1.88 0.15 103.07 103.63 3hxx h GLY 423 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3hxx h GLY 423 CO -0.00 0.23 -0.18 -2.75 0.00 0.00 0.00 176.54 173.84 3hxx h PHE 424 N 0.75 0.48 -0.60 5.60 3.04 -0.95 -2.52 116.94 122.73 3hxx h PHE 424 Ca 0.29 -0.15 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 3hxx h PHE 424 Cb 0.20 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 3hxx h PHE 424 CO -0.00 0.79 0.13 0.93 -2.02 0.00 0.00 178.31 178.15 3hxx h GLU 425 N 0.02 0.95 -0.56 1.11 5.08 -0.58 -0.94 114.58 119.66 3hxx h GLU 425 Ca 0.02 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3hxx h GLU 425 Cb 0.73 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3hxx h GLU 425 CO 0.04 0.86 0.31 0.00 -1.00 0.00 0.00 179.01 179.21 3hxx h ALA 426 N 1.24 0.72 -0.65 3.43 0.00 -1.02 -1.47 119.26 121.50 3hxx h ALA 426 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hxx h ALA 426 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hxx h ALA 426 CO 0.00 0.24 0.28 0.00 0.00 0.00 0.00 179.25 179.77 3hxx h ALA 427 N 1.14 1.27 -0.53 0.00 0.00 -0.97 -1.47 119.26 118.69 3hxx h ALA 427 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hxx h ALA 427 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hxx h ALA 427 CO -0.03 0.55 0.09 1.98 0.00 0.00 0.00 179.25 181.84 3hxx h MET 428 N 0.93 0.88 -0.18 0.00 -1.53 -0.80 -2.50 114.93 111.73 3hxx h MET 428 Ca 0.22 -0.23 -0.18 0.00 -3.44 0.00 0.00 59.70 56.07 3hxx h MET 428 Cb 0.15 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.09 3hxx h MET 428 CO -0.02 0.85 -0.62 0.93 0.14 0.00 0.00 176.91 178.19 3hxx h GLU 429 N 0.76 0.62 -0.64 0.39 4.39 -1.04 -2.03 114.58 117.04 3hxx h GLU 429 Ca 0.16 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 3hxx h GLU 429 Cb 0.40 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3hxx h GLU 429 CO 0.01 1.05 0.33 1.49 -1.16 0.00 0.00 179.01 180.73 3hxx h GLU 430 N 0.46 0.89 -0.36 2.33 4.57 -1.22 0.17 114.58 121.42 3hxx h GLU 430 Ca -0.01 -0.10 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 3hxx h GLU 430 Cb 1.19 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3hxx h GLU 430 CO 0.12 0.68 -0.36 0.37 -1.18 0.00 0.00 179.01 178.64 3hxx h GLN 431 N 0.90 0.83 -0.38 1.92 4.15 -1.30 -1.26 115.11 119.97 3hxx h GLN 431 Ca 0.22 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 3hxx h GLN 431 Cb 0.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3hxx h GLN 431 CO -0.03 1.05 0.03 0.00 -1.93 0.00 0.00 178.83 177.95 3hxx h ARG 432 N 0.69 0.58 -0.49 1.69 3.08 -0.63 -0.71 114.38 118.59 3hxx h ARG 432 Ca 0.06 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3hxx h ARG 432 Cb 0.92 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3hxx h ARG 432 CO 0.08 0.58 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.32 3hxx h ARG 433 N 0.56 0.96 -0.63 0.04 2.43 -0.43 -1.65 114.38 115.66 3hxx h ARG 433 Ca 0.12 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 3hxx h ARG 433 Cb 0.31 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3hxx h ARG 433 CO 0.01 1.06 0.27 0.00 -1.51 0.00 0.00 179.97 179.79 3hxx h ARG 434 N 0.82 0.92 -0.28 0.20 3.08 -0.82 0.46 114.38 118.75 3hxx h ARG 434 Ca 0.12 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3hxx h ARG 434 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3hxx h ARG 434 CO 0.06 0.74 -0.34 0.00 -1.07 0.00 0.00 179.97 179.36 3hxx h ALA 435 N 1.39 0.88 -0.15 0.04 0.00 -0.90 -1.44 119.26 119.08 3hxx h ALA 435 Ca 0.22 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3hxx h ALA 435 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hxx h ALA 435 CO -0.02 0.63 -0.21 0.00 0.00 0.00 0.00 179.25 179.64 3hxx h ARG 436 N 0.52 0.40 -0.49 0.00 3.08 -0.99 -1.64 114.38 115.26 3hxx h ARG 436 Ca 0.06 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 59.93 3hxx h ARG 436 Cb 0.83 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 3hxx h ARG 436 CO 0.07 0.82 0.20 1.49 -1.07 0.00 0.00 179.97 181.48 3hxx h GLU 437 N 0.02 0.39 -0.01 0.04 4.81 -0.82 0.73 114.58 119.74 3hxx h GLU 437 Ca 0.02 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3hxx h GLU 437 Cb 0.78 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.08 3hxx h GLU 437 CO 0.05 0.26 -0.65 0.00 -0.73 0.00 0.00 179.01 177.94 3hxx h ALA 438 N 1.31 0.09 0.08 2.92 0.00 -1.31 -3.35 119.26 119.00 3hxx h ALA 438 Ca 0.23 -0.58 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 3hxx h ALA 438 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hxx h ALA 438 CO -0.21 0.39 -1.13 0.66 0.00 0.00 0.00 179.25 178.96 3hxx h SER 439 N -0.03 0.33 0.00 0.00 4.64 -1.26 -3.48 113.55 113.75 3hxx h SER 439 Ca -0.08 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hxx h SER 439 Cb 1.35 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hxx h SER 439 CO 0.13 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.93 3hxx n GLY 440 N 1.37 0.65 0.00 -0.77 0.00 0.24 -5.07 105.19 101.61 3hxx n GLY 440 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hxx n GLY 440 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29