#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvu s PHE -4 N 0.00 3.49 -0.04 2.98 5.36 -1.26 -5.03 117.98 123.48 3hvu s PHE -4 Ca 0.00 1.53 0.04 0.00 -0.96 0.00 0.00 56.93 57.54 3hvu s PHE -4 Cb 0.00 -3.23 -0.00 0.00 -0.34 0.00 0.00 43.02 39.44 3hvu s PHE -4 CO 0.00 -0.47 -0.17 -0.65 -1.46 0.00 0.00 175.22 172.47 3hvu s GLN -3 N 1.63 1.79 0.23 10.12 -0.21 -1.26 -5.14 119.66 126.82 3hvu s GLN -3 Ca 0.52 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.29 3hvu s GLN -3 Cb -0.21 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 3hvu s GLN -3 CO 0.23 0.25 0.13 -1.54 -2.12 0.00 0.00 175.29 172.24 3hvu s SER -2 N 0.02 0.63 0.54 5.90 1.04 -1.26 -5.13 113.70 115.44 3hvu s SER -2 Ca -0.04 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 54.75 3hvu s SER -2 Cb -0.11 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 3hvu s SER -2 CO 0.02 -0.83 1.32 -3.20 0.98 0.00 0.00 173.24 171.52 3hvu n ASN -1 N -0.46 2.51 -4.74 7.02 5.15 -1.26 -4.93 115.26 118.55 3hvu n ASN -1 Ca 0.02 0.98 -0.41 0.00 -0.60 0.00 0.00 54.58 54.57 3hvu n ASN -1 Cb 0.66 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 3hvu n ASN -1 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hvu s ALA 0 N -1.29 3.45 0.04 5.20 0.00 -1.26 -5.04 121.76 122.85 3hvu s ALA 0 Ca 0.71 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.72 3hvu s ALA 0 Cb -0.43 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 3hvu s ALA 0 CO 0.50 -0.38 -0.23 -1.64 0.00 0.00 0.00 175.76 174.01 3hvu s MET 1 N -0.41 1.54 0.32 0.00 -1.94 -1.26 -5.05 119.30 112.51 3hvu s MET 1 Ca 0.52 -1.00 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3hvu s MET 1 Cb -0.33 -1.68 0.60 0.00 2.01 0.00 0.00 34.83 35.43 3hvu s MET 1 CO 0.38 0.43 1.94 0.52 -0.01 0.00 0.00 175.02 178.27 3hvu h MET 2 N 4.85 0.91 -0.51 2.03 2.86 -2.02 -2.41 114.93 120.64 3hvu h MET 2 Ca -0.44 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.30 3hvu h MET 2 Cb 1.15 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 3hvu h MET 2 CO 0.44 0.60 0.46 -2.95 1.06 0.00 0.00 176.91 176.52 3hvu h ASN 3 N 0.93 0.00 0.62 1.22 7.08 -1.96 0.12 115.58 123.59 3hvu h ASN 3 Ca 0.35 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.56 3hvu h ASN 3 Cb 0.19 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.43 3hvu h ASN 3 CO -0.12 0.00 -0.03 1.56 -2.08 0.00 0.00 177.43 176.75 3hvu h GLN 4 N 0.00 0.00 -0.01 4.14 4.20 -1.86 -2.14 115.11 119.44 3hvu h GLN 4 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3hvu h GLN 4 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3hvu h GLN 4 CO -0.00 0.03 -0.29 -0.25 -0.67 0.00 0.00 178.83 177.65 3hvu n ASP 5 N -3.19 1.38 -4.60 1.46 8.00 0.41 -4.89 116.55 115.11 3hvu n ASP 5 Ca -0.01 -1.13 -0.38 0.00 0.71 0.00 0.00 54.79 53.98 3hvu n ASP 5 Cb 0.24 0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 3hvu n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hvu s ILE 6 N -2.45 5.30 0.06 0.53 -1.09 -0.81 -1.34 121.20 121.40 3hvu s ILE 6 Ca 0.24 0.23 -0.23 0.00 -2.23 0.00 0.00 60.65 58.66 3hvu s ILE 6 Cb 0.19 -3.55 -0.15 0.00 -1.58 0.00 0.00 42.46 37.37 3hvu s ILE 6 CO 0.51 0.25 1.57 -0.08 -1.23 0.00 0.00 174.94 175.97 3hvu h GLU 7 N 8.19 0.07 -2.46 2.79 4.57 -0.81 -3.45 114.58 123.49 3hvu h GLU 7 Ca -0.35 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 57.91 3hvu h GLU 7 Cb 1.18 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.64 3hvu h GLU 7 CO 0.58 0.24 0.43 -1.59 -1.18 0.00 0.00 179.01 177.48 3hvu s LYS 8 N -5.46 1.03 -0.35 1.92 -2.85 -1.21 -5.00 119.74 107.83 3hvu s LYS 8 Ca -0.14 -0.44 -0.21 0.00 -1.00 0.00 0.00 55.97 54.18 3hvu s LYS 8 Cb 0.05 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3hvu s LYS 8 CO 0.68 -0.46 0.66 0.54 0.10 0.00 0.00 175.35 176.87 3hvu s VAL 9 N -3.31 4.87 -0.05 1.79 0.11 -1.26 -0.44 120.40 122.11 3hvu s VAL 9 Ca 0.06 0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 59.58 3hvu s VAL 9 Cb -0.01 -4.09 -0.29 0.00 -1.53 0.00 0.00 36.38 30.46 3hvu s VAL 9 CO -0.07 -0.30 0.92 0.25 -3.33 0.00 0.00 175.10 172.57 3hvu h LEU 10 N 9.40 0.39 -7.55 2.54 5.85 -1.21 -3.45 115.31 121.28 3hvu h LEU 10 Ca -0.26 -0.92 -0.47 0.00 0.84 0.00 0.00 57.88 57.07 3hvu h LEU 10 Cb 1.11 -0.13 -0.38 0.00 0.37 0.00 0.00 40.66 41.64 3hvu h LEU 10 CO 0.84 1.28 -0.78 -0.63 -0.34 0.00 0.00 178.44 178.81 3hvu s ILE 11 N -2.56 0.59 0.72 4.05 1.01 -0.72 -5.02 121.20 119.27 3hvu s ILE 11 Ca -0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3hvu s ILE 11 Cb 0.01 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.79 3hvu s ILE 11 CO 0.80 0.29 1.09 -0.94 0.00 0.00 0.00 174.94 176.18 3hvu s SER 12 N 1.88 5.33 0.24 3.58 1.04 -1.26 -1.64 113.70 122.87 3hvu s SER 12 Ca 0.05 1.23 -0.07 0.00 0.48 0.00 0.00 55.95 57.63 3hvu s SER 12 Cb -0.12 -2.04 0.24 0.00 0.10 0.00 0.00 66.02 64.19 3hvu s SER 12 CO -0.06 -1.43 1.92 -0.08 0.98 0.00 0.00 173.24 174.57 3hvu h GLU 13 N -0.71 1.24 -0.87 4.02 4.81 -1.96 0.07 114.58 121.18 3hvu h GLU 13 Ca -0.45 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3hvu h GLU 13 Cb 1.25 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 3hvu h GLU 13 CO 0.62 0.82 0.57 0.93 -0.73 0.00 0.00 179.01 181.22 3hvu h GLU 14 N 1.28 1.15 -0.39 1.92 3.07 -1.92 0.50 114.58 120.18 3hvu h GLU 14 Ca 0.35 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 3hvu h GLU 14 Cb -0.14 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.50 3hvu h GLU 14 CO -0.08 0.76 0.02 1.96 -1.40 0.00 0.00 179.01 180.27 3hvu h GLN 15 N 1.18 0.68 0.21 2.33 4.20 -1.72 -2.13 115.11 119.86 3hvu h GLN 15 Ca 0.32 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3hvu h GLN 15 Cb -0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3hvu h GLN 15 CO -0.07 0.76 -0.17 0.82 -0.67 0.00 0.00 178.83 179.50 3hvu h ILE 16 N 0.51 0.63 -0.70 2.54 2.04 -0.44 -1.26 117.51 120.84 3hvu h ILE 16 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3hvu h ILE 16 Cb 0.44 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3hvu h ILE 16 CO 0.02 0.00 0.31 1.56 0.00 0.00 0.00 178.15 180.03 3hvu h GLN 17 N -0.39 1.01 -0.53 2.37 1.08 -0.91 0.24 115.11 117.98 3hvu h GLN 17 Ca -0.01 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3hvu h GLN 17 Cb 0.35 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3hvu h GLN 17 CO -0.02 0.81 0.34 1.49 -0.95 0.00 0.00 178.83 180.50 3hvu h GLU 18 N 1.00 0.67 -0.27 1.46 4.81 -1.21 -1.66 114.58 119.38 3hvu h GLU 18 Ca 0.24 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3hvu h GLU 18 Cb 0.15 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hvu h GLU 18 CO -0.03 0.44 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.15 3hvu h LYS 19 N 0.69 0.70 -0.92 1.92 1.63 -0.38 -2.68 116.57 117.53 3hvu h LYS 19 Ca 0.20 -0.39 0.04 0.00 -0.85 0.00 0.00 60.65 59.65 3hvu h LYS 19 Cb -0.05 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 3hvu h LYS 19 CO -0.06 1.01 0.59 0.28 -3.45 0.00 0.00 179.45 177.82 3hvu h VAL 20 N 0.43 1.14 -0.93 2.00 2.07 -0.44 0.41 116.25 120.92 3hvu h VAL 20 Ca 0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3hvu h VAL 20 Cb 0.90 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3hvu h VAL 20 CO 0.08 0.21 0.55 0.25 0.02 0.00 0.00 177.57 178.68 3hvu h LEU 21 N 1.14 1.13 0.07 2.57 6.46 -1.18 -0.03 115.31 125.47 3hvu h LEU 21 Ca 0.37 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3hvu h LEU 21 Cb 0.03 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 3hvu h LEU 21 CO -0.13 0.87 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.44 3hvu h GLU 22 N 1.29 -0.09 -0.37 1.25 4.81 -0.98 -2.77 114.58 117.71 3hvu h GLU 22 Ca 0.33 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3hvu h GLU 22 Cb -0.04 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3hvu h GLU 22 CO -0.06 0.30 0.14 -0.07 -0.73 0.00 0.00 179.01 178.59 3hvu h LEU 23 N -0.50 0.52 -1.31 1.64 3.38 -0.80 -2.06 115.31 116.17 3hvu h LEU 23 Ca -0.01 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hvu h LEU 23 Cb 0.43 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3hvu h LEU 23 CO 0.02 0.55 0.51 1.23 0.09 0.00 0.00 178.44 180.83 3hvu h GLY 24 N 0.45 1.06 1.08 0.83 0.00 -1.08 0.26 103.07 105.67 3hvu h GLY 24 Ca 0.12 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 3hvu h GLY 24 CO -0.01 0.25 -0.33 0.00 0.00 0.00 0.00 176.54 176.45 3hvu h ALA 25 N 1.58 0.54 -0.39 3.60 0.00 -1.21 -0.72 119.26 122.66 3hvu h ALA 25 Ca 0.33 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hvu h ALA 25 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hvu h ALA 25 CO -0.11 0.60 -0.06 0.82 0.00 0.00 0.00 179.25 180.50 3hvu h ILE 26 N 0.68 1.27 -0.59 0.00 2.04 -0.60 -2.45 117.51 117.86 3hvu h ILE 26 Ca 0.06 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 3hvu h ILE 26 Cb 0.92 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3hvu h ILE 26 CO 0.08 0.37 -0.00 0.40 0.00 0.00 0.00 178.15 179.01 3hvu h ILE 27 N 0.54 1.26 -0.64 -0.67 2.04 -0.46 -1.36 117.51 118.23 3hvu h ILE 27 Ca 0.10 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3hvu h ILE 27 Cb 0.56 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3hvu h ILE 27 CO 0.03 0.41 0.41 0.00 0.00 0.00 0.00 178.15 179.00 3hvu h ALA 28 N 1.04 0.81 -0.40 1.87 0.00 -1.04 -0.47 119.26 121.07 3hvu h ALA 28 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hvu h ALA 28 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hvu h ALA 28 CO 0.03 0.26 0.15 1.49 0.00 0.00 0.00 179.25 181.17 3hvu h GLU 29 N 0.86 0.60 0.00 0.00 4.57 -1.20 -1.64 114.58 117.77 3hvu h GLU 29 Ca 0.23 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3hvu h GLU 29 Cb -0.07 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3hvu h GLU 29 CO -0.05 0.58 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.84 3hvu h ASP 30 N 0.49 0.00 -0.11 1.04 3.32 -0.78 -3.04 116.42 117.35 3hvu h ASP 30 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3hvu h ASP 30 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3hvu h ASP 30 CO -0.01 0.08 -0.08 -1.22 -1.72 0.00 0.00 179.24 176.29 3hvu n TYR 31 N -3.25 0.37 -0.31 4.55 4.01 -0.23 -4.84 117.16 117.45 3hvu n TYR 31 Ca -0.00 -1.11 0.06 0.00 -0.16 0.00 0.00 57.90 56.69 3hvu n TYR 31 Cb 0.32 -0.25 0.16 0.00 -0.31 0.00 0.00 39.34 39.26 3hvu n TYR 31 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hvu h LYS 32 N 0.72 0.02 0.17 -0.72 1.57 -1.18 -3.22 116.57 113.93 3hvu h LYS 32 Ca 0.03 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 3hvu h LYS 32 Cb 1.19 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 3hvu h LYS 32 CO 0.10 0.01 -1.62 -0.91 -0.57 0.00 0.00 179.45 176.46 3hvu h ASN 33 N 0.02 0.55 -2.56 0.86 2.35 -1.88 -3.47 115.58 111.44 3hvu h ASN 33 Ca 0.46 -0.76 -0.59 0.00 -0.55 0.00 0.00 56.30 54.86 3hvu h ASN 33 Cb 0.78 -0.18 -0.12 0.00 0.05 0.00 0.00 38.32 38.86 3hvu h ASN 33 CO -0.89 1.63 -0.69 0.42 -1.65 0.00 0.00 177.43 176.25 3hvu s THR 34 N -2.60 3.24 -0.52 2.81 -4.23 -1.22 -5.09 115.64 108.04 3hvu s THR 34 Ca -0.12 -1.85 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 3hvu s THR 34 Cb 0.06 -2.68 0.06 0.00 1.34 0.00 0.00 72.50 71.29 3hvu s THR 34 CO 0.87 -0.26 0.67 -0.69 -0.54 0.00 0.00 174.62 174.66 3hvu s VAL 35 N -2.07 4.82 0.75 2.29 1.01 -1.26 -4.87 120.40 121.06 3hvu s VAL 35 Ca 0.28 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3hvu s VAL 35 Cb -0.07 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 32.02 3hvu s VAL 35 CO 0.17 -0.88 1.10 -2.16 0.00 0.00 0.00 175.10 173.34 3hvu s PRO 36 N 2.77 2.23 -0.40 2.72 0.04 -1.26 -4.73 135.00 136.37 3hvu s PRO 36 Ca 0.16 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.13 3hvu s PRO 36 Cb -0.19 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.34 3hvu s PRO 36 CO 0.12 -1.35 0.26 -1.17 0.04 0.00 0.00 177.00 174.89 3hvu s LEU 37 N -5.42 4.95 -0.37 -3.56 2.96 -0.03 -1.26 118.68 115.96 3hvu s LEU 37 Ca 0.60 -1.03 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 3hvu s LEU 37 Cb -0.11 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.51 3hvu s LEU 37 CO 0.48 -0.44 0.59 0.00 -1.32 0.00 0.00 176.35 175.66 3hvu s ALA 38 N 1.59 3.44 -0.04 5.97 0.00 0.59 -0.89 121.76 132.42 3hvu s ALA 38 Ca 0.03 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3hvu s ALA 38 Cb -0.20 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3hvu s ALA 38 CO 0.07 -1.41 -0.18 0.96 0.00 0.00 0.00 175.76 175.20 3hvu s ILE 39 N 2.61 2.73 -0.04 0.00 -5.25 0.62 -1.34 121.20 120.54 3hvu s ILE 39 Ca 0.22 -0.85 0.07 0.00 -0.99 0.00 0.00 60.65 59.09 3hvu s ILE 39 Cb -0.15 -2.04 -0.02 0.00 2.95 0.00 0.00 42.46 43.21 3hvu s ILE 39 CO 0.15 0.58 -0.24 -0.83 -1.79 0.00 0.00 174.94 172.82 3hvu s GLY 40 N -0.71 1.32 -0.24 6.27 0.00 -0.84 -0.86 107.32 112.26 3hvu s GLY 40 Ca 0.11 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 3hvu s GLY 40 CO 0.00 -0.82 0.44 0.14 0.00 0.00 0.00 173.10 172.86 3hvu s VAL 41 N -0.49 5.14 0.62 1.40 1.01 -1.26 -1.36 120.40 125.47 3hvu s VAL 41 Ca 0.06 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 3hvu s VAL 41 Cb -0.11 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3hvu s VAL 41 CO 0.01 0.17 1.16 -0.76 0.00 0.00 0.00 175.10 175.67 3hvu s LEU 42 N 1.87 3.55 -0.04 3.92 1.43 -0.17 -3.50 118.68 125.73 3hvu s LEU 42 Ca 0.19 2.23 0.19 0.00 -1.03 0.00 0.00 54.13 55.70 3hvu s LEU 42 Cb -0.15 -4.58 -0.29 0.00 0.03 0.00 0.00 46.19 41.20 3hvu s LEU 42 CO 0.09 -1.64 0.38 0.29 0.23 0.00 0.00 176.35 175.70 3hvu n LYS 43 N -1.95 0.64 -0.10 1.70 5.02 -1.26 -4.74 118.16 117.47 3hvu n LYS 43 Ca 0.12 -0.16 0.14 0.00 -2.02 0.00 0.00 58.31 56.39 3hvu n LYS 43 Cb 0.51 -1.46 0.52 0.00 -0.02 0.00 0.00 35.03 34.58 3hvu n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hvu h GLY 44 N 3.51 0.57 2.00 0.72 0.00 -1.75 -3.04 103.07 105.08 3hvu h GLY 44 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hvu h GLY 44 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3hvu h ALA 45 N 1.68 1.00 0.19 3.60 0.00 -1.87 -3.40 119.26 120.47 3hvu h ALA 45 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hvu h ALA 45 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3hvu h ALA 45 CO -0.08 0.00 -0.53 1.98 0.00 0.00 0.00 179.25 180.62 3hvu h MET 46 N 0.00 -0.78 -0.86 0.00 -1.53 -1.82 0.16 114.93 110.11 3hvu h MET 46 Ca 0.00 0.05 0.08 0.00 -3.44 0.00 0.00 59.70 56.39 3hvu h MET 46 Cb 0.65 0.18 -0.07 0.00 -0.55 0.00 0.00 31.60 31.81 3hvu h MET 46 CO 0.00 -0.52 0.52 -1.35 0.14 0.00 0.00 176.91 175.70 3hvu h PRO 47 N -0.81 0.87 -0.22 0.39 0.11 -1.85 0.58 132.00 131.07 3hvu h PRO 47 Ca -0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 3hvu h PRO 47 Cb 0.79 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3hvu h PRO 47 CO -0.25 0.58 -0.06 0.35 -0.21 0.00 0.00 178.00 178.41 3hvu h PHE 48 N 0.90 0.49 -0.88 0.65 3.57 -1.73 -2.62 116.94 117.32 3hvu h PHE 48 Ca 0.40 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3hvu h PHE 48 Cb 0.28 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3hvu h PHE 48 CO -0.04 0.67 0.58 1.98 -2.23 0.00 0.00 178.31 179.27 3hvu h MET 49 N 0.16 1.13 0.06 1.11 4.05 0.09 0.23 114.93 121.76 3hvu h MET 49 Ca 0.06 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3hvu h MET 49 Cb 0.52 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3hvu h MET 49 CO 0.02 0.75 -0.03 0.00 0.23 0.00 0.00 176.91 177.88 3hvu h ALA 50 N 1.34 -0.08 -0.55 0.39 0.00 -0.91 -1.81 119.26 117.64 3hvu h ALA 50 Ca 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hvu h ALA 50 Cb -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hvu h ALA 50 CO -0.09 -0.50 0.10 -0.44 0.00 0.00 0.00 179.25 178.33 3hvu h ASP 51 N -0.17 0.87 0.40 0.00 3.32 -1.16 -2.91 116.42 116.77 3hvu h ASP 51 Ca -0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3hvu h ASP 51 Cb 0.15 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hvu h ASP 51 CO 0.01 0.90 -0.19 0.25 -1.72 0.00 0.00 179.24 178.49 3hvu h LEU 52 N 0.80 -0.46 -1.38 1.55 5.85 -0.94 -3.04 115.31 117.68 3hvu h LEU 52 Ca 0.17 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3hvu h LEU 52 Cb 0.39 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3hvu h LEU 52 CO 0.01 -0.26 0.06 -0.07 -0.34 0.00 0.00 178.44 177.85 3hvu h LEU 53 N -0.64 0.43 -0.09 2.25 3.38 -1.40 -0.24 115.31 119.01 3hvu h LEU 53 Ca -0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hvu h LEU 53 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hvu h LEU 53 CO 0.09 0.45 0.00 2.29 0.09 0.00 0.00 178.44 181.37 3hvu n LYS 54 N -4.34 0.04 -0.25 1.13 2.85 -1.10 -1.77 118.16 114.72 3hvu n LYS 54 Ca 0.02 0.21 0.09 0.00 -1.05 0.00 0.00 58.31 57.57 3hvu n LYS 54 Cb 0.19 -1.56 0.23 0.00 -0.65 0.00 0.00 35.03 33.23 3hvu n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hvu n ARG 55 N -1.63 2.63 -3.65 -1.58 5.12 -0.15 -4.78 116.66 112.62 3hvu n ARG 55 Ca 0.04 -2.29 -0.39 0.00 -1.93 0.00 0.00 57.85 53.29 3hvu n ARG 55 Cb 0.23 -1.43 -0.10 0.00 -1.16 0.00 0.00 32.46 30.01 3hvu n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hvu s THR 56 N -1.07 3.85 -1.39 0.55 2.01 -0.73 -3.82 115.64 115.04 3hvu s THR 56 Ca 0.36 -2.07 -0.15 0.00 0.31 0.00 0.00 61.69 60.14 3hvu s THR 56 Cb 0.19 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 69.21 3hvu s THR 56 CO 0.25 -0.77 2.03 -0.67 -0.69 0.00 0.00 174.62 174.77 3hvu n ASP 57 N 4.57 4.34 -3.45 3.53 2.03 -1.26 -4.87 116.55 121.44 3hvu n ASP 57 Ca -0.03 -2.89 -0.14 0.00 0.52 0.00 0.00 54.79 52.25 3hvu n ASP 57 Cb 0.41 -1.67 -0.03 0.00 -0.72 0.00 0.00 41.12 39.11 3hvu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hvu s THR 58 N 3.18 0.00 0.18 5.18 -1.32 -1.26 -4.95 115.64 116.65 3hvu s THR 58 Ca 0.48 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.65 3hvu s THR 58 Cb 0.10 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.98 3hvu s THR 58 CO -0.03 0.00 1.61 -0.31 -2.21 0.00 0.00 174.62 173.68 3hvu s TYR 59 N -2.92 3.02 0.11 9.09 2.02 -1.26 -4.98 117.35 122.43 3hvu s TYR 59 Ca -0.03 0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 56.97 3hvu s TYR 59 Cb -0.01 -3.99 0.08 0.00 -0.40 0.00 0.00 41.96 37.65 3hvu s TYR 59 CO -0.06 -3.67 0.69 -0.48 -1.57 0.00 0.00 175.55 170.47 3hvu s LEU 60 N 1.16 -0.50 0.12 -1.29 0.05 -1.26 -4.15 118.68 112.82 3hvu s LEU 60 Ca 0.71 -0.02 0.10 0.00 0.05 0.00 0.00 54.13 54.98 3hvu s LEU 60 Cb -0.45 2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 46.07 3hvu s LEU 60 CO 0.31 -0.87 -0.26 -1.83 -0.55 0.00 0.00 176.35 173.15 3hvu s GLU 61 N -3.56 1.37 0.08 1.48 -1.05 -0.39 -4.97 118.70 111.67 3hvu s GLU 61 Ca 0.03 -1.31 0.05 0.00 -0.15 0.00 0.00 54.97 53.58 3hvu s GLU 61 Cb -0.01 -1.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.82 3hvu s GLU 61 CO -0.11 0.43 -0.02 -1.64 0.95 0.00 0.00 175.26 174.87 3hvu s MET 62 N -2.00 2.50 0.31 -4.83 -1.94 -1.26 -0.30 119.30 111.78 3hvu s MET 62 Ca 0.13 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 53.13 3hvu s MET 62 Cb -0.10 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.25 3hvu s MET 62 CO 0.06 0.54 0.61 0.34 -0.01 0.00 0.00 175.02 176.56 3hvu s ASP 63 N -2.20 0.12 0.02 3.03 -1.08 -0.45 -4.91 116.67 111.20 3hvu s ASP 63 Ca 0.24 -1.05 -0.10 0.00 -0.52 0.00 0.00 52.55 51.13 3hvu s ASP 63 Cb -0.12 0.70 0.01 0.00 -1.46 0.00 0.00 42.92 42.06 3hvu s ASP 63 CO 0.17 -1.37 0.20 -0.36 0.52 0.00 0.00 175.17 174.33 3hvu s PHE 64 N -3.32 -0.00 0.16 -5.34 0.08 -1.26 -1.98 117.98 106.31 3hvu s PHE 64 Ca 0.20 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.20 3hvu s PHE 64 Cb -0.03 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 3hvu s PHE 64 CO 0.12 -0.38 -0.16 -1.64 -0.10 0.00 0.00 175.22 173.06 3hvu s MET 65 N -1.98 1.20 -0.05 0.44 -1.94 -0.46 -4.36 119.30 112.15 3hvu s MET 65 Ca -0.10 -1.39 0.02 0.00 -1.71 0.00 0.00 55.69 52.51 3hvu s MET 65 Cb -0.04 -1.13 0.01 0.00 2.01 0.00 0.00 34.83 35.69 3hvu s MET 65 CO -0.01 0.21 -0.11 0.00 -0.01 0.00 0.00 175.02 175.11 3hvu s ALA 66 N -2.32 1.11 0.11 3.03 0.00 -0.52 -1.00 121.76 122.17 3hvu s ALA 66 Ca 0.15 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3hvu s ALA 66 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3hvu s ALA 66 CO 0.05 0.12 -0.06 0.14 0.00 0.00 0.00 175.76 176.01 3hvu s VAL 67 N 0.54 0.75 0.05 0.00 -7.23 -1.26 0.58 120.40 113.83 3hvu s VAL 67 Ca -0.11 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 3hvu s VAL 67 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3hvu s VAL 67 CO 0.02 -0.83 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.01 3hvu s SER 68 N -3.07 0.48 0.38 4.85 1.04 -0.23 -4.88 113.70 112.28 3hvu s SER 68 Ca 0.13 -0.92 -0.23 0.00 0.48 0.00 0.00 55.95 55.41 3hvu s SER 68 Cb 0.05 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.25 3hvu s SER 68 CO -0.03 -0.54 0.95 -0.55 0.98 0.00 0.00 173.24 174.05 3hvu s SER 69 N -2.69 7.10 0.00 7.02 0.15 -1.26 -0.41 113.70 123.62 3hvu s SER 69 Ca 0.03 1.78 0.21 0.00 0.70 0.00 0.00 55.95 58.67 3hvu s SER 69 Cb 0.05 -2.56 0.61 0.00 -1.71 0.00 0.00 66.02 62.41 3hvu s SER 69 CO -0.08 -0.24 1.48 -1.22 1.20 0.00 0.00 173.24 174.38 3hvu n TYR 70 N -0.06 0.32 0.00 3.44 4.01 -1.26 -4.82 117.16 118.79 3hvu n TYR 70 Ca 0.05 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3hvu n TYR 70 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3hvu n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hvu n GLY 71 N 1.25 0.48 0.15 2.72 0.00 -1.26 -4.50 105.19 104.02 3hvu n GLY 71 Ca 0.17 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.68 3hvu n GLY 71 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hvu h HIS 72 N 0.00 0.00 0.00 1.61 -0.00 -2.01 -3.04 115.15 111.71 3hvu h HIS 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hvu h HIS 72 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3hvu h HIS 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.93 176.80 3hvu n SER 73 N -2.49 0.78 -0.06 3.26 3.41 -1.26 -2.04 113.62 115.21 3hvu n SER 73 Ca 0.04 0.62 0.16 0.00 -0.26 0.00 0.00 58.87 59.42 3hvu n SER 73 Cb 0.38 -0.81 0.87 0.00 -0.26 0.00 0.00 64.21 64.39 3hvu n SER 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hvu n THR 74 N -2.28 0.00 0.31 6.66 -1.04 -1.15 -3.31 114.28 113.47 3hvu n THR 74 Ca 0.04 -0.03 0.11 0.00 -2.04 0.00 0.00 64.05 62.13 3hvu n THR 74 Cb 0.35 -0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 68.37 3hvu n THR 74 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hvu n VAL 75 N -0.89 0.06 -0.01 12.58 0.31 -0.87 -3.59 118.33 125.92 3hvu n VAL 75 Ca 0.22 -0.35 -0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3hvu n VAL 75 Cb 0.16 0.24 -0.00 0.00 -0.91 0.00 0.00 33.84 33.33 3hvu n VAL 75 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hvu h SER 76 N 0.00 0.00 -0.01 4.52 4.64 -1.65 -3.43 113.55 117.62 3hvu h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hvu h SER 76 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3hvu h SER 76 CO 0.00 0.08 -0.48 0.35 -0.87 0.00 0.00 176.83 175.90 3hvu n THR 77 N -2.45 0.00 -0.75 2.95 -2.24 -1.25 -4.97 114.28 105.57 3hvu n THR 77 Ca -0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hvu n THR 77 Cb 0.02 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3hvu n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hvu n GLY 78 N 1.36 0.79 3.68 3.38 0.00 -1.24 -4.48 105.19 108.68 3hvu n GLY 78 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 3hvu n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hvu n GLU 79 N -2.25 2.29 -4.40 1.61 2.13 -1.26 -4.33 120.64 114.41 3hvu n GLU 79 Ca 0.00 0.83 -0.21 0.00 0.66 0.00 0.00 57.16 58.44 3hvu n GLU 79 Cb 0.00 -2.64 -0.10 0.00 0.27 0.00 0.00 31.44 28.97 3hvu n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hvu s VAL 80 N 2.14 2.05 -0.17 6.31 -7.23 -1.26 -4.15 120.40 118.09 3hvu s VAL 80 Ca 0.83 -2.29 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 3hvu s VAL 80 Cb -0.64 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3hvu s VAL 80 CO 0.42 -0.50 0.77 -0.75 -0.31 0.00 0.00 175.10 174.72 3hvu s LYS 81 N -3.59 4.28 -0.25 4.82 2.20 0.45 -4.90 119.74 122.75 3hvu s LYS 81 Ca 0.26 0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 56.47 3hvu s LYS 81 Cb -0.02 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3hvu s LYS 81 CO 0.10 -0.29 1.09 0.42 -0.36 0.00 0.00 175.35 176.32 3hvu s ILE 82 N 2.02 4.55 -0.19 5.43 1.01 -1.26 -1.07 121.20 131.70 3hvu s ILE 82 Ca 0.35 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.91 3hvu s ILE 82 Cb -0.16 -4.30 -0.22 0.00 0.01 0.00 0.00 42.46 37.79 3hvu s ILE 82 CO 0.12 -0.28 0.08 0.18 0.00 0.00 0.00 174.94 175.04 3hvu n LEU 83 N 6.58 1.90 -3.67 2.97 4.77 0.20 -4.87 117.00 124.89 3hvu n LEU 83 Ca 0.12 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 3hvu n LEU 83 Cb 0.46 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3hvu n LEU 83 CO 0.55 0.74 -0.28 -0.75 -1.33 0.00 0.00 177.39 176.32 3hvu s LYS 84 N -2.53 -0.01 0.71 3.23 2.36 -0.36 -4.91 119.74 118.22 3hvu s LYS 84 Ca -0.22 0.47 -0.03 0.00 -2.55 0.00 0.00 55.97 53.64 3hvu s LYS 84 Cb 0.08 -0.40 0.10 0.00 -1.05 0.00 0.00 37.83 36.56 3hvu s LYS 84 CO 0.72 -0.32 0.99 0.34 1.55 0.00 0.00 175.35 178.62 3hvu s ASP 85 N 2.24 4.49 0.49 1.43 -1.08 -1.26 -1.44 116.67 121.55 3hvu s ASP 85 Ca 0.04 -0.08 -0.22 0.00 -0.52 0.00 0.00 52.55 51.77 3hvu s ASP 85 Cb -0.12 -0.42 -0.07 0.00 -1.46 0.00 0.00 42.92 40.86 3hvu s ASP 85 CO -0.05 -1.76 1.19 -0.76 0.52 0.00 0.00 175.17 174.32 3hvu s LEU 86 N -5.16 3.93 0.09 -1.34 1.43 -1.26 -4.79 118.68 111.57 3hvu s LEU 86 Ca 0.64 2.36 0.24 0.00 -1.03 0.00 0.00 54.13 56.35 3hvu s LEU 86 Cb -0.07 -4.32 0.96 0.00 0.03 0.00 0.00 46.19 42.79 3hvu s LEU 86 CO 0.44 -1.10 1.76 0.47 0.23 0.00 0.00 176.35 178.15 3hvu n ASP 87 N -0.76 0.30 -4.18 2.29 8.00 -1.26 -4.83 116.55 116.10 3hvu n ASP 87 Ca 0.09 0.54 -0.11 0.00 0.71 0.00 0.00 54.79 56.02 3hvu n ASP 87 Cb 0.48 -0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 40.86 3hvu n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hvu s THR 88 N -3.07 0.45 0.58 -3.53 -1.32 -1.26 -5.15 115.64 102.34 3hvu s THR 88 Ca 0.10 -1.93 -0.17 0.00 -1.21 0.00 0.00 61.69 58.48 3hvu s THR 88 Cb 0.14 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 3hvu s THR 88 CO 0.47 -0.61 1.08 -0.94 -2.21 0.00 0.00 174.62 172.40 3hvu s SER 89 N -3.08 5.76 -0.01 8.08 1.04 -1.26 -4.98 113.70 119.25 3hvu s SER 89 Ca 0.20 1.93 0.04 0.00 0.48 0.00 0.00 55.95 58.61 3hvu s SER 89 Cb 0.07 -2.55 -0.25 0.00 0.10 0.00 0.00 66.02 63.39 3hvu s SER 89 CO -0.00 -1.18 0.81 0.58 0.98 0.00 0.00 173.24 174.43 3hvu h VAL 90 N 0.72 1.08 -1.36 5.02 2.07 -1.96 -3.45 116.25 118.37 3hvu h VAL 90 Ca -0.48 -2.83 -0.78 0.00 0.82 0.00 0.00 66.70 63.43 3hvu h VAL 90 Cb 1.23 2.62 0.02 0.00 -1.52 0.00 0.00 31.29 33.64 3hvu h VAL 90 CO 0.57 0.73 0.78 1.21 0.02 0.00 0.00 177.57 180.88 3hvu n GLU 91 N -3.28 0.75 -0.93 1.57 2.13 -1.04 -0.38 120.64 119.45 3hvu n GLU 91 Ca -0.15 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3hvu n GLU 91 Cb 1.03 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.85 3hvu n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hvu n GLY 92 N 3.95 0.65 3.90 8.31 0.00 0.19 -4.90 105.19 117.28 3hvu n GLY 92 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 3hvu n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hvu s ARG 93 N -0.28 3.64 -0.46 1.61 1.81 0.48 -4.31 118.95 121.44 3hvu s ARG 93 Ca 0.00 -0.05 -0.22 0.00 -1.72 0.00 0.00 55.73 53.74 3hvu s ARG 93 Cb 0.00 -2.80 0.03 0.00 -0.45 0.00 0.00 34.95 31.73 3hvu s ARG 93 CO 0.00 0.41 0.74 -0.51 -0.68 0.00 0.00 175.30 175.26 3hvu s ASP 94 N -2.57 6.36 -0.16 0.23 1.01 -1.26 0.32 116.67 120.61 3hvu s ASP 94 Ca 0.42 -0.26 -0.15 0.00 0.71 0.00 0.00 52.55 53.27 3hvu s ASP 94 Cb -0.12 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3hvu s ASP 94 CO 0.25 -0.89 0.36 -0.63 0.21 0.00 0.00 175.17 174.47 3hvu s ILE 95 N 3.14 5.26 -0.24 0.77 -1.09 0.27 -0.85 121.20 128.45 3hvu s ILE 95 Ca 0.26 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 3hvu s ILE 95 Cb -0.13 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3hvu s ILE 95 CO 0.21 0.35 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.94 3hvu s LEU 96 N 0.68 3.15 -0.20 2.97 2.96 -0.07 -1.11 118.68 127.06 3hvu s LEU 96 Ca 0.19 -1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 52.83 3hvu s LEU 96 Cb -0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3hvu s LEU 96 CO 0.06 -0.14 0.57 -0.63 -1.32 0.00 0.00 176.35 174.90 3hvu s ILE 97 N 1.22 5.06 -0.22 6.68 1.01 -0.29 -0.28 121.20 134.39 3hvu s ILE 97 Ca -0.03 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.63 3hvu s ILE 97 Cb -0.18 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3hvu s ILE 97 CO -0.06 0.14 0.02 -0.69 0.00 0.00 0.00 174.94 174.35 3hvu s VAL 98 N 1.78 4.01 0.10 2.92 1.01 -0.04 -1.03 120.40 129.15 3hvu s VAL 98 Ca 0.26 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3hvu s VAL 98 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3hvu s VAL 98 CO 0.10 0.40 -0.11 -0.70 0.00 0.00 0.00 175.10 174.80 3hvu s GLU 99 N 1.21 0.86 -0.05 2.72 2.56 -0.48 -4.18 118.70 121.34 3hvu s GLU 99 Ca 0.03 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.66 3hvu s GLU 99 Cb -0.15 -0.60 -0.31 0.00 2.00 0.00 0.00 34.13 35.08 3hvu s GLU 99 CO 0.02 0.10 0.85 0.38 -0.56 0.00 0.00 175.26 176.04 3hvu h ASP 100 N 3.62 0.50 -4.43 -1.70 2.03 -1.87 -2.02 116.42 112.56 3hvu h ASP 100 Ca -0.38 -0.93 -0.12 0.00 -0.73 0.00 0.00 57.03 54.87 3hvu h ASP 100 Cb 1.19 -0.16 -0.22 0.00 -0.83 0.00 0.00 39.33 39.31 3hvu h ASP 100 CO 0.52 1.47 -0.25 -0.51 -1.03 0.00 0.00 179.24 179.44 3hvu s ILE 101 N -2.46 0.03 -0.14 4.15 2.07 -1.26 -0.54 121.20 123.06 3hvu s ILE 101 Ca -0.14 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 3hvu s ILE 101 Cb 0.02 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 42.01 3hvu s ILE 101 CO 0.83 -0.12 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.96 3hvu s ILE 102 N -0.55 2.74 0.00 2.00 1.01 -0.92 -4.99 121.20 120.49 3hvu s ILE 102 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3hvu s ILE 102 Cb -0.04 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3hvu s ILE 102 CO 0.03 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 174.82 3hvu n ASP 103 N 3.78 0.00 0.15 3.58 -0.08 -1.26 -1.72 116.55 121.00 3hvu n ASP 103 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 3hvu n ASP 103 Cb 0.52 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.21 3hvu n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hvu h SER 104 N 0.00 0.00 0.00 1.67 4.64 -1.87 -2.05 113.55 115.94 3hvu h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hvu h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hvu h SER 104 CO 0.00 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 3hvu n GLY 105 N 0.09 1.31 0.30 -0.77 0.00 -1.26 -0.69 105.19 104.17 3hvu n GLY 105 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3hvu n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hvu h LEU 106 N 0.00 -0.61 -0.55 0.99 3.38 -1.91 -0.14 115.31 116.47 3hvu h LEU 106 Ca 0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3hvu h LEU 106 Cb 0.00 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hvu h LEU 106 CO 0.00 -0.35 -0.65 0.71 0.09 0.00 0.00 178.44 178.24 3hvu h THR 107 N -0.83 1.39 -0.27 0.22 1.35 -1.87 -1.84 112.91 111.05 3hvu h THR 107 Ca -0.07 -2.05 -0.14 0.00 -0.55 0.00 0.00 66.41 63.60 3hvu h THR 107 Cb 0.60 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3hvu h THR 107 CO 0.12 0.61 -0.42 0.25 -0.25 0.00 0.00 175.52 175.83 3hvu h LEU 108 N 0.22 0.72 -0.73 3.87 5.85 -1.90 -1.64 115.31 121.70 3hvu h LEU 108 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3hvu h LEU 108 Cb 1.18 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 3hvu h LEU 108 CO 0.11 1.04 0.46 -1.28 -0.34 0.00 0.00 178.44 178.43 3hvu h SER 109 N 0.55 0.85 -0.68 1.25 0.87 -0.78 -0.63 113.55 114.98 3hvu h SER 109 Ca 0.04 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3hvu h SER 109 Cb 0.95 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3hvu h SER 109 CO 0.09 0.64 0.23 0.22 -0.53 0.00 0.00 176.83 177.48 3hvu h TYR 110 N 0.99 1.08 -0.27 2.24 3.20 -1.04 -2.67 116.97 120.50 3hvu h TYR 110 Ca 0.26 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3hvu h TYR 110 Cb -0.07 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 3hvu h TYR 110 CO -0.02 0.86 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.03 3hvu h LEU 111 N 0.98 0.69 -0.50 2.82 3.38 -0.89 -1.77 115.31 120.02 3hvu h LEU 111 Ca 0.22 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3hvu h LEU 111 Cb 0.28 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3hvu h LEU 111 CO -0.01 1.02 0.17 0.58 0.09 0.00 0.00 178.44 180.28 3hvu h VAL 112 N 0.37 0.81 0.00 1.22 2.07 -1.07 -0.26 116.25 119.39 3hvu h VAL 112 Ca 0.04 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3hvu h VAL 112 Cb 0.82 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3hvu h VAL 112 CO 0.06 0.06 -0.20 0.44 0.02 0.00 0.00 177.57 177.95 3hvu h ASP 113 N 0.33 0.00 -0.30 0.57 3.32 -1.46 -1.30 116.42 117.58 3hvu h ASP 113 Ca 0.25 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3hvu h ASP 113 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hvu h ASP 113 CO -0.26 0.20 -0.09 0.25 -1.72 0.00 0.00 179.24 177.62 3hvu h LEU 114 N 0.00 0.60 -0.80 1.55 5.85 -0.58 -0.09 115.31 121.85 3hvu h LEU 114 Ca -0.00 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 3hvu h LEU 114 Cb 1.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3hvu h LEU 114 CO 0.03 0.83 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.60 3hvu h PHE 115 N 0.36 0.88 -0.33 1.25 0.04 -0.75 -0.32 116.94 118.07 3hvu h PHE 115 Ca 0.08 -0.16 -0.10 0.00 2.80 0.00 0.00 57.97 60.58 3hvu h PHE 115 Cb 0.58 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3hvu h PHE 115 CO 0.05 0.86 -0.23 0.87 -0.60 0.00 0.00 178.31 179.27 3hvu h LYS 116 N 0.73 0.63 -0.63 1.51 1.57 -1.16 -1.78 116.57 117.44 3hvu h LYS 116 Ca 0.12 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3hvu h LYS 116 Cb 0.59 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3hvu h LYS 116 CO 0.04 0.81 0.31 -0.92 -0.57 0.00 0.00 179.45 179.11 3hvu h TYR 117 N 0.56 0.88 -0.01 -1.35 3.20 -0.40 -1.18 116.97 118.66 3hvu h TYR 117 Ca 0.08 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hvu h TYR 117 Cb 0.69 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3hvu h TYR 117 CO 0.03 0.64 0.00 0.54 -1.64 0.00 0.00 178.16 177.73 3hvu n ARG 118 N -4.35 1.04 -3.30 1.82 1.74 -0.19 -4.88 116.66 108.54 3hvu n ARG 118 Ca 0.06 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 3hvu n ARG 118 Cb 0.13 -1.17 0.06 0.00 -1.02 0.00 0.00 32.46 30.46 3hvu n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hvu n LYS 119 N -0.31 -5.87 -1.77 5.56 5.02 -0.45 -2.51 118.16 117.84 3hvu n LYS 119 Ca 0.00 0.62 -0.38 0.00 -2.02 0.00 0.00 58.31 56.53 3hvu n LYS 119 Cb 0.09 -5.01 0.05 0.00 -0.02 0.00 0.00 35.03 30.14 3hvu n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hvu s ALA 120 N -3.24 2.70 0.24 7.82 0.00 -0.73 -0.64 121.76 127.91 3hvu s ALA 120 Ca 0.41 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.71 3hvu s ALA 120 Cb -0.18 -3.57 0.27 0.00 0.00 0.00 0.00 23.12 19.64 3hvu s ALA 120 CO 0.54 -1.45 1.58 -0.22 0.00 0.00 0.00 175.76 176.22 3hvu h LYS 121 N 1.20 0.29 -2.53 0.00 3.64 -0.32 -3.43 116.57 115.42 3hvu h LYS 121 Ca -0.51 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 58.72 3hvu h LYS 121 Cb 1.31 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 3hvu h LYS 121 CO 0.56 0.77 0.33 -1.54 -2.27 0.00 0.00 179.45 177.30 3hvu s SER 122 N -6.89 -0.49 -0.06 4.20 1.04 -1.16 -4.97 113.70 105.37 3hvu s SER 122 Ca -0.05 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 3hvu s SER 122 Cb 0.12 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.77 3hvu s SER 122 CO 0.80 -0.76 0.09 -0.69 0.98 0.00 0.00 173.24 173.66 3hvu s VAL 123 N -3.05 -0.16 0.30 5.02 1.01 -1.26 -0.57 120.40 121.70 3hvu s VAL 123 Ca 0.01 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3hvu s VAL 123 Cb -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 3hvu s VAL 123 CO -0.08 0.16 -0.07 -0.54 0.00 0.00 0.00 175.10 174.57 3hvu s LYS 124 N 2.21 1.64 -0.04 2.72 -0.14 -0.27 -5.00 119.74 120.86 3hvu s LYS 124 Ca 0.04 -1.83 0.02 0.00 -1.36 0.00 0.00 55.97 52.84 3hvu s LYS 124 Cb -0.12 -1.35 0.01 0.00 -1.68 0.00 0.00 37.83 34.69 3hvu s LYS 124 CO -0.04 0.08 -0.08 0.42 -0.76 0.00 0.00 175.35 174.97 3hvu s ILE 125 N -2.87 0.75 -0.15 2.17 1.01 -1.26 -1.14 121.20 119.72 3hvu s ILE 125 Ca 0.30 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3hvu s ILE 125 Cb 0.03 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.79 3hvu s ILE 125 CO 0.13 0.26 -0.20 0.54 0.00 0.00 0.00 174.94 175.68 3hvu s VAL 126 N 0.60 2.25 0.00 2.92 0.11 -0.20 -1.08 120.40 125.00 3hvu s VAL 126 Ca -0.10 -0.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 3hvu s VAL 126 Cb -0.13 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3hvu s VAL 126 CO 0.01 0.54 -0.18 0.28 -3.33 0.00 0.00 175.10 172.42 3hvu s THR 127 N 0.83 1.46 0.04 5.04 -1.32 -0.71 -1.38 115.64 119.59 3hvu s THR 127 Ca -0.06 -0.88 -0.21 0.00 -1.21 0.00 0.00 61.69 59.33 3hvu s THR 127 Cb -0.15 -1.23 -0.15 0.00 -1.51 0.00 0.00 72.50 69.46 3hvu s THR 127 CO -0.02 0.34 1.34 0.25 -2.21 0.00 0.00 174.62 174.32 3hvu h LEU 128 N 5.46 0.37 -8.70 9.08 5.85 -1.28 -1.49 115.31 124.61 3hvu h LEU 128 Ca -0.38 -0.48 -0.67 0.00 0.84 0.00 0.00 57.88 57.19 3hvu h LEU 128 Cb 1.15 -0.10 -0.26 0.00 0.37 0.00 0.00 40.66 41.82 3hvu h LEU 128 CO 0.47 0.77 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.71 3hvu s LEU 129 N -9.10 2.17 -0.05 2.25 1.43 0.30 -0.61 118.68 115.07 3hvu s LEU 129 Ca -0.14 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3hvu s LEU 129 Cb 0.05 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 45.08 3hvu s LEU 129 CO 0.75 0.23 -0.05 -0.62 0.23 0.00 0.00 176.35 176.89 3hvu s ASP 130 N -1.26 1.19 -0.74 2.29 2.15 0.72 -2.16 116.67 118.87 3hvu s ASP 130 Ca 0.11 -0.15 0.04 0.00 0.43 0.00 0.00 52.55 52.98 3hvu s ASP 130 Cb -0.10 -0.51 0.19 0.00 -0.30 0.00 0.00 42.92 42.21 3hvu s ASP 130 CO 0.02 -0.07 0.60 1.17 -0.17 0.00 0.00 175.17 176.73 3hvu n LYS 131 N 4.22 2.13 0.13 4.34 4.81 -0.70 -0.05 118.16 133.05 3hvu n LYS 131 Ca -0.22 -4.53 0.13 0.00 -0.87 0.00 0.00 58.31 52.83 3hvu n LYS 131 Cb 0.51 -2.31 0.65 0.00 0.02 0.00 0.00 35.03 33.90 3hvu n LYS 131 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3hvu h PRO 132 N 5.27 0.03 0.00 1.64 0.13 -1.82 -1.94 132.00 135.32 3hvu h PRO 132 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3hvu h PRO 132 Cb 0.74 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hvu h PRO 132 CO 0.77 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.81 3hvu n THR 133 N -4.47 0.69 0.68 1.56 -2.24 -1.26 -2.73 114.28 106.51 3hvu n THR 133 Ca 0.03 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3hvu n THR 133 Cb 0.32 -0.85 0.33 0.00 -2.10 0.00 0.00 70.33 68.02 3hvu n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hvu n GLY 134 N 0.40 -1.54 3.62 3.38 0.00 -0.73 -4.96 105.19 105.35 3hvu n GLY 134 Ca 0.05 -0.14 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 3hvu n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hvu n ARG 135 N -2.07 1.49 0.00 1.61 5.12 -0.77 -3.83 116.66 118.22 3hvu n ARG 135 Ca 0.05 0.54 0.03 0.00 -1.93 0.00 0.00 57.85 56.53 3hvu n ARG 135 Cb 0.42 -2.16 -0.01 0.00 -1.16 0.00 0.00 32.46 29.55 3hvu n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hvu n LYS 136 N 2.41 2.76 -3.72 5.56 5.02 0.13 -4.96 118.16 125.36 3hvu n LYS 136 Ca 0.16 -0.40 -0.14 0.00 -2.02 0.00 0.00 58.31 55.91 3hvu n LYS 136 Cb 0.24 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 3hvu n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hvu s VAL 137 N -1.08 0.05 0.04 -0.18 0.11 -1.18 -5.02 120.40 113.14 3hvu s VAL 137 Ca 0.05 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.38 3hvu s VAL 137 Cb 0.05 -0.69 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 3hvu s VAL 137 CO 0.16 -0.22 1.32 -1.81 -3.33 0.00 0.00 175.10 171.22 3hvu s ASP 138 N -1.34 6.92 -0.30 3.54 -0.00 -1.26 -4.76 116.67 119.47 3hvu s ASP 138 Ca -0.13 2.11 -0.10 0.00 -0.00 0.00 0.00 52.55 54.43 3hvu s ASP 138 Cb -0.04 -2.57 0.16 0.00 -0.00 0.00 0.00 42.92 40.46 3hvu s ASP 138 CO 0.05 -0.62 0.78 -0.22 -0.00 0.00 0.00 175.17 175.16 3hvu s LEU 139 N 1.72 -0.96 -0.17 1.23 2.96 -1.26 -5.04 118.68 117.16 3hvu s LEU 139 Ca 0.62 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 55.56 3hvu s LEU 139 Cb -0.31 1.99 -0.02 0.00 0.50 0.00 0.00 46.19 48.35 3hvu s LEU 139 CO 0.28 -0.18 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.32 3hvu s LYS 140 N 2.76 3.53 0.43 1.98 2.20 -1.26 -5.03 119.74 124.36 3hvu s LYS 140 Ca 0.01 -0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 54.81 3hvu s LYS 140 Cb -0.11 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 3hvu s LYS 140 CO -0.18 0.09 1.06 0.00 -0.36 0.00 0.00 175.35 175.96 3hvu s ALA 141 N 0.73 3.00 -0.01 3.13 0.00 -1.26 -4.93 121.76 122.42 3hvu s ALA 141 Ca -0.02 0.70 0.11 0.00 0.00 0.00 0.00 51.96 52.75 3hvu s ALA 141 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3hvu s ALA 141 CO 0.02 -0.30 1.39 -0.44 0.00 0.00 0.00 175.76 176.43 3hvu h ASP 142 N 2.15 0.00 -3.71 0.00 3.32 -1.49 -3.44 116.42 113.26 3hvu h ASP 142 Ca -0.49 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.25 3hvu h ASP 142 Cb 1.22 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 3hvu h ASP 142 CO 0.61 0.72 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.80 3hvu s TYR 143 N -2.89 0.30 -0.04 4.55 2.02 -0.62 -5.00 117.35 115.67 3hvu s TYR 143 Ca 0.02 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 3hvu s TYR 143 Cb 0.09 -0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.40 3hvu s TYR 143 CO 0.78 -0.05 -0.01 0.08 -1.57 0.00 0.00 175.55 174.77 3hvu s VAL 144 N 0.34 0.35 -0.07 0.71 1.01 -1.26 -1.74 120.40 119.73 3hvu s VAL 144 Ca -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3hvu s VAL 144 Cb -0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 36.38 35.73 3hvu s VAL 144 CO -0.01 0.20 0.74 1.23 0.00 0.00 0.00 175.10 177.26 3hvu h GLY 145 N 7.49 -0.15 -5.21 4.51 0.00 -1.04 -3.48 103.07 105.20 3hvu h GLY 145 Ca -0.35 0.05 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 3hvu h GLY 145 CO 0.42 -0.05 -0.43 -1.36 0.00 0.00 0.00 176.54 175.12 3hvu s PHE 146 N -2.93 -0.22 -0.23 5.60 0.08 0.22 -5.01 117.98 115.48 3hvu s PHE 146 Ca -0.12 0.51 -0.13 0.00 0.12 0.00 0.00 56.93 57.31 3hvu s PHE 146 Cb -0.00 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 3hvu s PHE 146 CO 0.45 -0.17 0.27 0.99 -0.10 0.00 0.00 175.22 176.67 3hvu s THR 147 N -0.20 5.28 0.12 0.64 2.01 -1.26 -0.20 115.64 122.03 3hvu s THR 147 Ca -0.03 0.42 0.09 0.00 0.31 0.00 0.00 61.69 62.48 3hvu s THR 147 Cb -0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3hvu s THR 147 CO 0.01 0.29 -0.18 0.68 -0.69 0.00 0.00 174.62 174.72 3hvu s VAL 148 N 1.29 2.81 0.00 3.82 -7.23 0.92 -4.91 120.40 117.11 3hvu s VAL 148 Ca 0.13 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3hvu s VAL 148 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3hvu s VAL 148 CO 0.07 0.09 0.00 -0.81 -0.31 0.00 0.00 175.10 174.13 3hvu n PRO 149 N 0.77 0.03 -2.62 4.82 -0.04 -1.26 -4.39 135.00 132.30 3hvu n PRO 149 Ca -0.15 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 3hvu n PRO 149 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3hvu n PRO 149 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3hvu n HIS 150 N -1.89 4.46 -4.39 0.54 -0.00 -1.26 -4.93 115.22 107.76 3hvu n HIS 150 Ca 0.00 -3.07 -0.30 0.00 0.46 0.00 0.00 57.72 54.81 3hvu n HIS 150 Cb 0.00 -2.35 -0.11 0.00 -0.12 0.00 0.00 29.99 27.40 3hvu n HIS 150 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3hvu s GLU 151 N 2.50 1.93 -0.65 1.57 0.41 -1.26 -5.07 118.70 118.12 3hvu s GLU 151 Ca 0.47 -1.09 -0.26 0.00 -0.41 0.00 0.00 54.97 53.68 3hvu s GLU 151 Cb 0.03 -2.17 0.04 0.00 -1.78 0.00 0.00 34.13 30.25 3hvu s GLU 151 CO 0.02 0.50 1.12 0.12 -0.49 0.00 0.00 175.26 176.53 3hvu s PHE 152 N -1.09 2.54 -0.01 1.61 5.36 -1.26 -5.00 117.98 120.13 3hvu s PHE 152 Ca 0.18 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 56.07 3hvu s PHE 152 Cb -0.11 -4.41 -0.04 0.00 -0.34 0.00 0.00 43.02 38.12 3hvu s PHE 152 CO 0.09 -1.73 0.07 0.14 -1.46 0.00 0.00 175.22 172.33 3hvu s VAL 153 N 4.82 4.69 0.17 3.12 -7.23 -1.26 -1.72 120.40 122.99 3hvu s VAL 153 Ca 0.32 -0.39 -0.00 0.00 -1.81 0.00 0.00 61.98 60.11 3hvu s VAL 153 Cb -0.11 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 3hvu s VAL 153 CO 0.17 0.38 0.06 0.68 -0.31 0.00 0.00 175.10 176.08 3hvu s VAL 154 N -1.16 0.26 0.00 1.32 -7.23 -0.19 -4.68 120.40 108.72 3hvu s VAL 154 Ca 0.22 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3hvu s VAL 154 Cb -0.12 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3hvu s VAL 154 CO 0.12 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 3hvu n GLY 155 N -0.21 1.98 4.10 2.32 0.00 0.88 -0.96 105.19 113.30 3hvu n GLY 155 Ca -0.03 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 3hvu n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hvu n TYR 156 N 1.80 -1.53 0.00 1.61 9.36 -0.22 -0.98 117.16 127.21 3hvu n TYR 156 Ca 0.00 0.71 0.00 0.00 3.32 0.00 0.00 57.90 61.93 3hvu n TYR 156 Cb 0.00 -3.36 0.00 0.00 -0.63 0.00 0.00 39.34 35.35 3hvu n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hvu n GLY 157 N -2.10 2.23 3.71 2.98 0.00 -0.15 -4.56 105.19 107.30 3hvu n GLY 157 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3hvu n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hvu s LEU 158 N 0.00 4.39 0.36 0.99 1.43 -0.15 -4.32 118.68 121.38 3hvu s LEU 158 Ca 0.00 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.92 3hvu s LEU 158 Cb 0.00 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3hvu s LEU 158 CO 0.00 -0.26 0.10 1.51 0.23 0.00 0.00 176.35 177.93 3hvu s ASP 159 N 0.84 4.43 -0.12 2.29 -4.77 -1.26 -0.08 116.67 118.00 3hvu s ASP 159 Ca 0.52 -0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 48.82 3hvu s ASP 159 Cb -0.23 -0.60 0.04 0.00 -1.09 0.00 0.00 42.92 41.05 3hvu s ASP 159 CO 0.29 -0.33 0.04 -0.47 0.70 0.00 0.00 175.17 175.40 3hvu s TYR 160 N -2.50 0.58 -1.46 2.11 5.04 -0.57 -4.81 117.35 115.74 3hvu s TYR 160 Ca 0.37 -0.33 -0.07 0.00 -2.44 0.00 0.00 57.07 54.61 3hvu s TYR 160 Cb -0.00 -0.79 0.05 0.00 0.35 0.00 0.00 41.96 41.56 3hvu s TYR 160 CO 0.21 -0.42 0.73 1.63 -1.34 0.00 0.00 175.55 176.36 3hvu n LYS 161 N 5.17 -4.47 -0.55 4.97 5.02 -1.26 -1.69 118.16 125.34 3hvu n LYS 161 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3hvu n LYS 161 Cb 0.49 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3hvu n LYS 161 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hvu n GLU 162 N -4.45 0.00 -3.10 1.97 -0.58 -1.26 -4.98 120.64 108.23 3hvu n GLU 162 Ca -0.14 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.41 3hvu n GLU 162 Cb 0.61 -3.35 0.02 0.00 -0.57 0.00 0.00 31.44 28.14 3hvu n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hvu s GLN 163 N -0.39 2.65 0.00 3.49 -0.21 -0.68 -4.58 119.66 119.94 3hvu s GLN 163 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.98 3hvu s GLN 163 Cb 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.34 3hvu s GLN 163 CO 0.00 -0.42 0.00 0.66 -2.12 0.00 0.00 175.29 173.41 3hvu n TYR 164 N -1.91 0.00 0.25 0.91 4.01 -1.26 -1.51 117.16 117.66 3hvu n TYR 164 Ca 0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.97 3hvu n TYR 164 Cb 0.60 -0.16 0.81 0.00 -0.31 0.00 0.00 39.34 40.28 3hvu n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hvu h ARG 165 N 1.74 0.00 0.00 -0.72 3.08 -1.80 -2.07 114.38 114.62 3hvu h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hvu h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hvu h ARG 165 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 3hvu n ASN 166 N -4.08 0.00 -4.77 7.04 6.94 -1.26 -0.98 115.26 118.15 3hvu n ASN 166 Ca -0.01 -0.39 -0.40 0.00 -0.02 0.00 0.00 54.58 53.76 3hvu n ASN 166 Cb 0.16 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3hvu n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hvu s LEU 167 N -2.39 4.26 0.00 -4.53 1.43 -0.78 -4.82 118.68 111.85 3hvu s LEU 167 Ca 0.33 2.93 0.15 0.00 -1.03 0.00 0.00 54.13 56.51 3hvu s LEU 167 Cb 0.20 -3.77 0.66 0.00 0.03 0.00 0.00 46.19 43.31 3hvu s LEU 167 CO 0.41 -0.93 1.46 -0.81 0.23 0.00 0.00 176.35 176.71 3hvu n PRO 168 N 0.26 1.38 -4.28 1.29 -0.04 -1.26 -1.05 135.00 131.29 3hvu n PRO 168 Ca 0.02 -0.58 -0.16 0.00 -0.04 0.00 0.00 63.50 62.75 3hvu n PRO 168 Cb 0.41 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3hvu n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3hvu s TYR 169 N -1.85 1.46 -0.26 0.54 -0.85 -1.26 -4.00 117.35 111.13 3hvu s TYR 169 Ca 0.24 -1.39 -0.07 0.00 -0.52 0.00 0.00 57.07 55.33 3hvu s TYR 169 Cb 0.12 -0.74 -0.02 0.00 0.38 0.00 0.00 41.96 41.70 3hvu s TYR 169 CO 0.18 -0.59 0.07 0.08 -1.52 0.00 0.00 175.55 173.78 3hvu s VAL 170 N -3.80 4.24 0.33 -3.49 1.01 -0.65 -2.95 120.40 115.10 3hvu s VAL 170 Ca 0.38 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3hvu s VAL 170 Cb 0.06 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 3hvu s VAL 170 CO 0.17 0.31 -0.11 -0.83 0.00 0.00 0.00 175.10 174.63 3hvu s GLY 171 N 1.60 2.11 -0.20 4.51 0.00 -0.14 -0.67 107.32 114.54 3hvu s GLY 171 Ca 0.06 -2.03 -0.13 0.00 0.00 0.00 0.00 44.72 42.62 3hvu s GLY 171 CO 0.03 -2.01 0.25 0.14 0.00 0.00 0.00 173.10 171.51 3hvu s VAL 172 N -2.58 5.32 0.12 1.40 1.01 0.41 -1.02 120.40 125.06 3hvu s VAL 172 Ca 0.32 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3hvu s VAL 172 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 3hvu s VAL 172 CO 0.16 0.36 1.05 -0.22 0.00 0.00 0.00 175.10 176.45 3hvu s LEU 173 N 0.78 4.46 0.34 3.92 2.96 -0.70 -0.15 118.68 130.30 3hvu s LEU 173 Ca 0.13 1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 55.68 3hvu s LEU 173 Cb -0.13 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 3hvu s LEU 173 CO 0.04 -0.20 1.52 -0.54 -1.32 0.00 0.00 176.35 175.85 3hvu s LYS 174 N 0.11 4.12 0.35 1.98 1.02 -0.45 -4.65 119.74 122.22 3hvu s LYS 174 Ca 0.50 2.56 0.11 0.00 0.02 0.00 0.00 55.97 59.16 3hvu s LYS 174 Cb -0.26 -2.99 0.90 0.00 -0.52 0.00 0.00 37.83 34.95 3hvu s LYS 174 CO 0.31 -0.56 1.79 -1.35 -0.92 0.00 0.00 175.35 174.62 3hvu h PRO 175 N 3.72 0.58 -0.85 -1.68 0.11 -1.94 -1.89 132.00 130.06 3hvu h PRO 175 Ca -0.49 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.78 3hvu h PRO 175 Cb 1.23 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 3hvu h PRO 175 CO 0.70 0.39 0.33 0.77 -0.21 0.00 0.00 178.00 179.97 3hvu h SER 176 N 0.60 0.24 -0.45 -2.05 0.02 -1.90 0.25 113.55 110.26 3hvu h SER 176 Ca 0.57 0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.60 3hvu h SER 176 Cb 1.11 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3hvu h SER 176 CO -0.33 -0.00 0.05 0.58 -1.14 0.00 0.00 176.83 175.98 3hvu h VAL 177 N 0.37 1.24 -0.01 2.27 2.07 -1.69 -3.30 116.25 117.21 3hvu h VAL 177 Ca 0.51 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hvu h VAL 177 Cb 0.93 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3hvu h VAL 177 CO -0.52 0.34 -0.20 0.00 0.02 0.00 0.00 177.57 177.21 3hvu n TYR 178 N -4.23 0.00 1.23 1.57 4.11 -0.89 -5.12 117.16 113.84 3hvu n TYR 178 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.06 3hvu n TYR 178 Cb 0.28 0.00 0.30 0.00 -0.00 0.00 0.00 39.34 39.92 3hvu n TYR 178 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29