#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 2.76 0.29 2.98 5.36 -1.26 -5.13 117.98 122.97 3hvu s PHE -4 Ca 0.00 -0.55 0.09 0.00 -0.96 0.00 0.00 56.93 55.51 3hvu s PHE -4 Cb 0.00 -1.77 -0.06 0.00 -0.34 0.00 0.00 43.02 40.85 3hvu s PHE -4 CO 0.00 -0.13 -0.11 -0.65 -1.46 0.00 0.00 175.22 172.87 3hvu s GLN -3 N 0.07 1.62 0.10 10.12 -0.21 -1.26 -5.15 119.66 124.95 3hvu s GLN -3 Ca -0.06 -1.80 -0.25 0.00 0.02 0.00 0.00 55.36 53.28 3hvu s GLN -3 Cb -0.15 -1.43 0.09 0.00 1.00 0.00 0.00 33.01 32.52 3hvu s GLN -3 CO 0.05 0.15 1.14 -1.54 -2.12 0.00 0.00 175.29 172.97 3hvu s SER -2 N -3.49 -0.01 0.49 5.90 1.04 -1.26 -5.15 113.70 111.23 3hvu s SER -2 Ca 0.29 -0.46 -0.22 0.00 0.48 0.00 0.00 55.95 56.05 3hvu s SER -2 Cb 0.01 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3hvu s SER -2 CO 0.13 -0.69 0.94 0.59 0.98 0.00 0.00 173.24 175.18 3hvu n ASN -1 N -1.08 0.83 -4.78 7.02 5.03 -1.26 -4.96 115.26 116.05 3hvu n ASN -1 Ca -0.01 0.93 -0.36 0.00 0.87 0.00 0.00 54.58 56.00 3hvu n ASN -1 Cb 0.59 -1.34 -0.05 0.00 -1.02 0.00 0.00 39.78 37.96 3hvu n ASN -1 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hvu s ALA 0 N -1.41 3.11 -0.04 5.41 0.00 -1.26 -5.06 121.76 122.51 3hvu s ALA 0 Ca 0.68 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.32 3hvu s ALA 0 Cb -0.50 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3hvu s ALA 0 CO 0.54 -0.10 -0.19 -1.64 0.00 0.00 0.00 175.76 174.37 3hvu s MET 1 N -2.46 1.91 0.32 0.00 -1.94 -1.26 -5.05 119.30 110.82 3hvu s MET 1 Ca 0.56 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.94 3hvu s MET 1 Cb -0.20 -1.67 0.79 0.00 2.01 0.00 0.00 34.83 35.76 3hvu s MET 1 CO 0.25 0.30 1.79 0.52 -0.01 0.00 0.00 175.02 177.87 3hvu h MET 2 N 6.13 0.70 -0.80 2.03 2.86 -2.02 -2.08 114.93 121.76 3hvu h MET 2 Ca -0.33 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.44 3hvu h MET 2 Cb 1.17 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 3hvu h MET 2 CO 0.48 0.46 0.54 -2.95 1.06 0.00 0.00 176.91 176.50 3hvu h ASN 3 N 0.72 0.38 0.11 1.22 7.08 -1.96 -0.14 115.58 122.98 3hvu h ASN 3 Ca 0.56 0.03 -0.01 0.00 -3.08 0.00 0.00 56.30 53.79 3hvu h ASN 3 Cb 0.92 -0.05 -0.00 0.00 -2.08 0.00 0.00 38.32 37.12 3hvu h ASN 3 CO -0.34 0.18 -0.06 1.56 -2.08 0.00 0.00 177.43 176.69 3hvu h GLN 4 N 0.39 0.00 -0.00 4.14 1.08 -1.81 -2.36 115.11 116.55 3hvu h GLN 4 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 3hvu h GLN 4 Cb 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3hvu h GLN 4 CO -0.13 0.06 -0.11 -0.25 -0.95 0.00 0.00 178.83 177.45 3hvu n ASP 5 N -4.08 0.30 -4.61 1.46 8.00 -0.07 -4.82 116.55 112.73 3hvu n ASP 5 Ca -0.03 -0.27 -0.37 0.00 0.71 0.00 0.00 54.79 54.83 3hvu n ASP 5 Cb 0.15 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.64 5.24 0.01 0.53 -1.09 -0.89 -1.14 121.20 121.23 3hvu s ILE 6 Ca 0.24 0.14 -0.23 0.00 -2.23 0.00 0.00 60.65 58.58 3hvu s ILE 6 Cb 0.20 -3.47 -0.17 0.00 -1.58 0.00 0.00 42.46 37.43 3hvu s ILE 6 CO 0.51 0.30 1.31 -0.08 -1.23 0.00 0.00 174.94 175.75 3hvu h GLU 7 N 7.96 0.18 -2.89 2.79 4.81 -0.61 -3.46 114.58 123.36 3hvu h GLU 7 Ca -0.37 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hvu h GLU 7 Cb 1.18 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.45 3hvu h GLU 7 CO 0.60 0.61 0.26 -1.59 -0.73 0.00 0.00 179.01 178.15 3hvu s LYS 8 N -4.30 1.27 -0.26 1.92 -2.85 -1.20 -5.01 119.74 109.31 3hvu s LYS 8 Ca -0.15 -0.51 -0.23 0.00 -1.00 0.00 0.00 55.97 54.09 3hvu s LYS 8 Cb 0.03 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.35 3hvu s LYS 8 CO 0.71 -0.56 0.74 0.08 0.10 0.00 0.00 175.35 176.42 3hvu s VAL 9 N -3.67 4.89 -0.12 1.79 1.01 -1.26 -0.46 120.40 122.58 3hvu s VAL 9 Ca 0.03 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 3hvu s VAL 9 Cb -0.02 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 3hvu s VAL 9 CO -0.10 -0.07 0.77 0.25 0.00 0.00 0.00 175.10 175.95 3hvu h LEU 10 N 9.13 0.12 -7.51 3.92 5.85 -0.86 -3.45 115.31 122.51 3hvu h LEU 10 Ca -0.25 -0.96 -0.53 0.00 0.84 0.00 0.00 57.88 56.98 3hvu h LEU 10 Cb 1.11 -0.04 -0.38 0.00 0.37 0.00 0.00 40.66 41.71 3hvu h LEU 10 CO 0.83 1.13 -0.78 -0.63 -0.34 0.00 0.00 178.44 178.65 3hvu s ILE 11 N -2.28 0.87 0.79 4.05 1.01 -0.67 -5.02 121.20 119.94 3hvu s ILE 11 Ca -0.18 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 3hvu s ILE 11 Cb -0.02 -1.13 0.07 0.00 0.01 0.00 0.00 42.46 41.39 3hvu s ILE 11 CO 0.72 0.06 1.09 -0.94 0.00 0.00 0.00 174.94 175.87 3hvu s SER 12 N 1.73 4.39 0.26 3.58 1.04 -1.26 -1.68 113.70 121.77 3hvu s SER 12 Ca 0.01 1.76 -0.04 0.00 0.48 0.00 0.00 55.95 58.16 3hvu s SER 12 Cb -0.15 -2.47 0.33 0.00 0.10 0.00 0.00 66.02 63.83 3hvu s SER 12 CO -0.07 -2.10 1.93 -0.08 0.98 0.00 0.00 173.24 173.90 3hvu h GLU 13 N -1.17 1.25 -0.89 4.02 4.81 -1.96 -1.42 114.58 119.21 3hvu h GLU 13 Ca -0.44 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3hvu h GLU 13 Cb 1.24 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 3hvu h GLU 13 CO 0.52 0.82 0.50 0.93 -0.73 0.00 0.00 179.01 181.06 3hvu h GLU 14 N 1.28 1.24 -0.54 1.92 3.07 -1.91 -0.71 114.58 118.93 3hvu h GLU 14 Ca 0.36 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3hvu h GLU 14 Cb -0.11 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.53 3hvu h GLU 14 CO -0.09 0.90 0.08 1.96 -1.40 0.00 0.00 179.01 180.46 3hvu h GLN 15 N 1.24 0.91 -0.61 2.33 4.20 -1.72 -1.74 115.11 119.72 3hvu h GLN 15 Ca 0.32 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3hvu h GLN 15 Cb 0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3hvu h GLN 15 CO -0.05 0.89 0.23 0.82 -0.67 0.00 0.00 178.83 180.04 3hvu h ILE 16 N 0.79 1.24 -0.44 2.54 2.04 -0.91 -1.95 117.51 120.82 3hvu h ILE 16 Ca 0.16 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 3hvu h ILE 16 Cb 0.43 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3hvu h ILE 16 CO 0.01 0.30 -0.25 1.56 0.00 0.00 0.00 178.15 179.77 3hvu h GLN 17 N 0.86 0.93 -0.59 2.37 1.08 -0.87 0.95 115.11 119.84 3hvu h GLN 17 Ca 0.20 -0.41 -0.09 0.00 -1.45 0.00 0.00 58.65 56.90 3hvu h GLN 17 Cb 0.24 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3hvu h GLN 17 CO -0.01 1.06 0.00 0.93 -0.95 0.00 0.00 178.83 179.86 3hvu h GLU 18 N 0.79 1.04 -0.31 1.46 5.08 -1.23 -1.76 114.58 119.65 3hvu h GLU 18 Ca 0.10 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3hvu h GLU 18 Cb 0.81 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hvu h GLU 18 CO 0.07 1.02 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.61 3hvu h LYS 19 N 0.93 0.63 -0.66 2.33 1.63 -1.13 -1.38 116.57 118.93 3hvu h LYS 19 Ca 0.17 -0.27 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 3hvu h LYS 19 Cb 0.55 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3hvu h LYS 19 CO 0.03 0.84 0.09 0.28 -3.45 0.00 0.00 179.45 177.25 3hvu h VAL 20 N 0.55 1.26 0.31 2.00 2.07 -0.68 0.24 116.25 122.01 3hvu h VAL 20 Ca 0.07 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3hvu h VAL 20 Cb 0.75 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hvu h VAL 20 CO 0.06 0.40 -0.15 0.25 0.02 0.00 0.00 177.57 178.14 3hvu h LEU 21 N 1.03 -0.36 -0.20 2.57 6.46 -1.04 0.10 115.31 123.86 3hvu h LEU 21 Ca 0.20 -0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 3hvu h LEU 21 Cb 0.46 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.41 3hvu h LEU 21 CO 0.02 -0.19 -0.28 -0.08 -0.62 0.00 0.00 178.44 177.28 3hvu h GLU 22 N -0.50 -0.30 -0.27 1.25 4.81 -1.02 -1.76 114.58 116.78 3hvu h GLU 22 Ca -0.04 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3hvu h GLU 22 Cb 0.38 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3hvu h GLU 22 CO 0.07 -0.20 -0.17 -0.07 -0.73 0.00 0.00 179.01 177.90 3hvu h LEU 23 N -0.32 0.46 -0.55 1.64 3.38 -0.86 -2.66 115.31 116.40 3hvu h LEU 23 Ca 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hvu h LEU 23 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3hvu h LEU 23 CO -0.38 0.65 0.30 1.23 0.09 0.00 0.00 178.44 180.33 3hvu h GLY 24 N 0.95 0.83 1.03 0.83 0.00 -0.14 -1.28 103.07 105.29 3hvu h GLY 24 Ca 0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3hvu h GLY 24 CO 0.04 0.37 0.12 0.00 0.00 0.00 0.00 176.54 177.06 3hvu h ALA 25 N 1.13 0.80 -0.27 3.60 0.00 -1.18 -1.16 119.26 122.19 3hvu h ALA 25 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hvu h ALA 25 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hvu h ALA 25 CO -0.03 0.54 0.04 0.82 0.00 0.00 0.00 179.25 180.62 3hvu h ILE 26 N 0.89 1.23 -0.60 0.00 2.04 -1.27 -1.89 117.51 117.91 3hvu h ILE 26 Ca 0.19 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 3hvu h ILE 26 Cb 0.40 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3hvu h ILE 26 CO 0.01 0.25 0.14 0.40 0.00 0.00 0.00 178.15 178.95 3hvu h ILE 27 N 0.26 1.25 -0.75 -0.67 2.04 -1.19 -0.82 117.51 117.64 3hvu h ILE 27 Ca 0.08 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3hvu h ILE 27 Cb 0.33 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3hvu h ILE 27 CO 0.01 0.34 0.49 0.00 0.00 0.00 0.00 178.15 178.99 3hvu h ALA 28 N 1.04 0.96 -0.27 1.87 0.00 -1.12 -0.58 119.26 121.15 3hvu h ALA 28 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hvu h ALA 28 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hvu h ALA 28 CO 0.00 0.34 0.09 1.49 0.00 0.00 0.00 179.25 181.17 3hvu h GLU 29 N 0.99 0.42 0.00 0.00 4.57 -1.08 -1.85 114.58 117.63 3hvu h GLU 29 Ca 0.28 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3hvu h GLU 29 Cb -0.08 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3hvu h GLU 29 CO -0.07 0.47 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.66 3hvu h ASP 30 N 0.28 0.00 -0.10 1.04 3.32 -0.56 -3.02 116.42 117.37 3hvu h ASP 30 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3hvu h ASP 30 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3hvu h ASP 30 CO -0.00 0.13 -0.12 -1.22 -1.72 0.00 0.00 179.24 176.31 3hvu n TYR 31 N -3.45 0.32 0.25 4.55 4.01 -0.28 -4.78 117.16 117.78 3hvu n TYR 31 Ca -0.01 -1.16 0.08 0.00 -0.16 0.00 0.00 57.90 56.65 3hvu n TYR 31 Cb 0.29 -0.25 0.62 0.00 -0.31 0.00 0.00 39.34 39.70 3hvu n TYR 31 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3hvu h LYS 32 N 0.69 0.00 -0.59 -0.72 2.10 -1.20 -2.94 116.57 113.90 3hvu h LYS 32 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3hvu h LYS 32 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3hvu h LYS 32 CO 0.09 0.09 0.00 0.09 -2.00 0.00 0.00 179.45 177.73 3hvu n ASN 33 N -4.27 3.88 -3.67 7.07 5.03 -1.26 -4.95 115.26 117.09 3hvu n ASN 33 Ca -0.03 -2.15 -0.14 0.00 0.87 0.00 0.00 54.58 53.13 3hvu n ASN 33 Cb 0.17 -0.45 -0.08 0.00 -1.02 0.00 0.00 39.78 38.40 3hvu n ASN 33 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3hvu s THR 34 N -1.28 0.01 -0.50 3.41 -1.32 -1.11 -5.11 115.64 109.75 3hvu s THR 34 Ca 0.43 -0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.59 3hvu s THR 34 Cb 0.24 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 3hvu s THR 34 CO 0.26 -0.07 0.63 0.68 -2.21 0.00 0.00 174.62 173.91 3hvu s VAL 35 N -0.48 4.87 0.65 5.08 -7.23 -1.26 -4.85 120.40 117.18 3hvu s VAL 35 Ca -0.06 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 3hvu s VAL 35 Cb -0.03 -4.29 0.02 0.00 0.56 0.00 0.00 36.38 32.64 3hvu s VAL 35 CO 0.04 -0.79 0.99 -2.16 -0.31 0.00 0.00 175.10 172.87 3hvu s PRO 36 N 2.64 2.83 -0.40 4.82 0.04 -1.26 -4.76 135.00 138.91 3hvu s PRO 36 Ca 0.16 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.21 3hvu s PRO 36 Cb -0.19 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.21 3hvu s PRO 36 CO 0.12 -0.89 0.31 -1.17 0.04 0.00 0.00 177.00 175.41 3hvu s LEU 37 N -5.16 4.99 -0.27 -3.56 2.96 -0.10 -1.12 118.68 116.41 3hvu s LEU 37 Ca 0.56 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 3hvu s LEU 37 Cb -0.11 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3hvu s LEU 37 CO 0.48 -0.43 0.40 0.00 -1.32 0.00 0.00 176.35 175.48 3hvu s ALA 38 N 1.74 3.57 -0.01 5.97 0.00 0.97 -0.87 121.76 133.12 3hvu s ALA 38 Ca 0.06 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3hvu s ALA 38 Cb -0.19 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3hvu s ALA 38 CO 0.10 -0.67 -0.21 0.96 0.00 0.00 0.00 175.76 175.95 3hvu s ILE 39 N 2.11 1.65 -0.01 0.00 -5.25 0.42 -1.34 121.20 118.77 3hvu s ILE 39 Ca 0.16 -0.90 0.08 0.00 -0.99 0.00 0.00 60.65 58.99 3hvu s ILE 39 Cb -0.16 -1.37 -0.02 0.00 2.95 0.00 0.00 42.46 43.86 3hvu s ILE 39 CO 0.10 0.46 -0.24 -0.83 -1.79 0.00 0.00 174.94 172.63 3hvu s GLY 40 N -0.51 1.33 -0.28 6.27 0.00 -0.94 -0.56 107.32 112.63 3hvu s GLY 40 Ca 0.08 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 3hvu s GLY 40 CO -0.01 -0.94 0.39 0.14 0.00 0.00 0.00 173.10 172.69 3hvu s VAL 41 N -0.66 5.15 0.63 1.40 1.01 -1.26 -1.76 120.40 124.91 3hvu s VAL 41 Ca 0.11 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 3hvu s VAL 41 Cb -0.10 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3hvu s VAL 41 CO -0.00 0.09 1.30 -0.76 0.00 0.00 0.00 175.10 175.73 3hvu s LEU 42 N 2.11 3.63 -0.02 3.92 1.43 -0.19 -3.77 118.68 125.78 3hvu s LEU 42 Ca 0.15 2.64 0.13 0.00 -1.03 0.00 0.00 54.13 56.02 3hvu s LEU 42 Cb -0.16 -4.56 -0.19 0.00 0.03 0.00 0.00 46.19 41.31 3hvu s LEU 42 CO 0.10 -1.91 0.27 0.29 0.23 0.00 0.00 176.35 175.33 3hvu n LYS 43 N -1.73 0.46 0.07 1.70 5.02 -1.26 -4.74 118.16 117.68 3hvu n LYS 43 Ca 0.15 -0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.45 3hvu n LYS 43 Cb 0.48 -1.30 0.60 0.00 -0.02 0.00 0.00 35.03 34.79 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 2.31 0.19 2.00 0.72 0.00 -1.75 -2.90 103.07 103.64 3hvu h GLY 44 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hvu h GLY 44 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3hvu h ALA 45 N 1.82 1.00 0.15 3.60 0.00 -1.86 -3.40 119.26 120.57 3hvu h ALA 45 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hvu h ALA 45 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hvu h ALA 45 CO -0.02 0.00 -0.44 1.98 0.00 0.00 0.00 179.25 180.76 3hvu h MET 46 N 0.00 -0.67 -0.35 0.00 -1.53 -1.81 0.59 114.93 111.16 3hvu h MET 46 Ca 0.00 0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.33 3hvu h MET 46 Cb 0.51 0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.68 3hvu h MET 46 CO 0.00 -0.45 0.17 -1.35 0.14 0.00 0.00 176.91 175.42 3hvu h PRO 47 N -0.70 0.34 -0.22 0.39 0.11 -1.84 -1.21 132.00 128.86 3hvu h PRO 47 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3hvu h PRO 47 Cb 0.71 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3hvu h PRO 47 CO -0.24 0.22 0.08 0.35 -0.21 0.00 0.00 178.00 178.21 3hvu h PHE 48 N 0.35 0.34 -0.55 0.65 3.57 -1.78 -2.55 116.94 116.97 3hvu h PHE 48 Ca 0.15 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3hvu h PHE 48 Cb 0.06 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3hvu h PHE 48 CO -0.10 0.39 0.25 1.98 -2.23 0.00 0.00 178.31 178.60 3hvu h MET 49 N 0.19 0.46 0.17 1.11 4.05 -0.70 0.20 114.93 120.41 3hvu h MET 49 Ca 0.07 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3hvu h MET 49 Cb 0.20 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 3hvu h MET 49 CO -0.00 0.30 -0.30 0.00 0.23 0.00 0.00 176.91 177.14 3hvu h ALA 50 N 1.33 -0.55 -0.40 0.39 0.00 -1.16 -1.14 119.26 117.73 3hvu h ALA 50 Ca 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hvu h ALA 50 Cb 0.22 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hvu h ALA 50 CO -0.21 -0.86 -0.01 -0.44 0.00 0.00 0.00 179.25 177.74 3hvu h ASP 51 N -0.55 0.70 0.29 0.00 3.32 -1.19 -2.41 116.42 116.57 3hvu h ASP 51 Ca 0.02 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3hvu h ASP 51 Cb 0.56 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hvu h ASP 51 CO -0.14 0.84 -0.14 0.25 -1.72 0.00 0.00 179.24 178.33 3hvu h LEU 52 N 0.54 -0.32 -1.49 1.55 5.85 -0.53 -2.90 115.31 118.00 3hvu h LEU 52 Ca 0.11 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hvu h LEU 52 Cb 0.48 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3hvu h LEU 52 CO 0.02 -0.20 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.82 3hvu h LEU 53 N -0.43 0.26 -1.91 2.25 3.38 -1.24 -0.90 115.31 116.72 3hvu h LEU 53 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hvu h LEU 53 Cb 0.32 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hvu h LEU 53 CO 0.06 0.34 -0.09 0.11 0.09 0.00 0.00 178.44 178.96 3hvu h LYS 54 N 0.28 0.00 -0.70 1.13 1.57 -1.31 -2.13 116.57 115.41 3hvu h LYS 54 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hvu h LYS 54 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hvu h LYS 54 CO 0.01 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 179.52 3hvu n ARG 55 N -4.25 3.10 -3.73 3.15 5.12 -0.38 -4.74 116.66 114.93 3hvu n ARG 55 Ca -0.03 -2.74 -0.37 0.00 -1.93 0.00 0.00 57.85 52.78 3hvu n ARG 55 Cb 0.17 -1.68 -0.11 0.00 -1.16 0.00 0.00 32.46 29.68 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 -1.31 3.52 -1.33 0.55 2.01 -0.80 -3.68 115.64 114.59 3hvu s THR 56 Ca 0.49 -2.20 -0.13 0.00 0.31 0.00 0.00 61.69 60.16 3hvu s THR 56 Cb 0.28 -3.37 0.10 0.00 0.01 0.00 0.00 72.50 69.52 3hvu s THR 56 CO 0.30 -0.74 1.90 -0.67 -0.69 0.00 0.00 174.62 174.71 3hvu n ASP 57 N 4.42 4.66 -3.56 3.53 2.03 -1.26 -4.87 116.55 121.50 3hvu n ASP 57 Ca -0.01 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.21 3hvu n ASP 57 Cb 0.41 -1.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.15 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 2.33 0.03 0.18 5.18 -1.32 -1.26 -4.96 115.64 115.82 3hvu s THR 58 Ca 0.46 -0.26 -0.31 0.00 -1.21 0.00 0.00 61.69 60.36 3hvu s THR 58 Cb 0.08 -1.01 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3hvu s THR 58 CO -0.01 -0.15 1.43 -0.31 -2.21 0.00 0.00 174.62 173.37 3hvu s TYR 59 N -2.85 3.14 0.13 9.09 2.02 -1.26 -4.99 117.35 122.63 3hvu s TYR 59 Ca -0.03 0.95 -0.24 0.00 -0.37 0.00 0.00 57.07 57.37 3hvu s TYR 59 Cb -0.00 -3.76 0.07 0.00 -0.40 0.00 0.00 41.96 37.86 3hvu s TYR 59 CO -0.05 -2.61 0.74 -0.48 -1.57 0.00 0.00 175.55 171.57 3hvu s LEU 60 N 0.47 -0.42 -0.01 -1.29 0.05 -1.26 -4.13 118.68 112.08 3hvu s LEU 60 Ca 0.63 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 54.72 3hvu s LEU 60 Cb -0.40 2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 46.13 3hvu s LEU 60 CO 0.36 -0.93 -0.14 -0.70 -0.55 0.00 0.00 176.35 174.39 3hvu s GLU 61 N -3.55 2.39 0.00 1.48 2.12 -0.28 -4.97 118.70 115.89 3hvu s GLU 61 Ca 0.05 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3hvu s GLU 61 Cb -0.02 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 3hvu s GLU 61 CO -0.07 0.60 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.58 3hvu s MET 62 N -1.08 2.69 0.26 4.30 -1.94 -1.26 -0.02 119.30 122.25 3hvu s MET 62 Ca 0.14 -0.66 -0.12 0.00 -1.71 0.00 0.00 55.69 53.34 3hvu s MET 62 Cb -0.11 -2.61 -0.00 0.00 2.01 0.00 0.00 34.83 34.13 3hvu s MET 62 CO 0.03 0.62 0.48 0.34 -0.01 0.00 0.00 175.02 176.48 3hvu s ASP 63 N -1.51 -0.02 0.01 3.03 -1.08 -0.45 -4.92 116.67 111.72 3hvu s ASP 63 Ca 0.19 -0.98 -0.05 0.00 -0.52 0.00 0.00 52.55 51.19 3hvu s ASP 63 Cb -0.11 0.60 -0.00 0.00 -1.46 0.00 0.00 42.92 41.94 3hvu s ASP 63 CO 0.09 -1.17 0.09 -0.36 0.52 0.00 0.00 175.17 174.35 3hvu s PHE 64 N -3.91 0.10 0.13 -5.34 0.08 -1.26 -2.20 117.98 105.58 3hvu s PHE 64 Ca 0.23 -0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.13 3hvu s PHE 64 Cb -0.01 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.32 3hvu s PHE 64 CO 0.10 -0.25 -0.21 -1.64 -0.10 0.00 0.00 175.22 173.12 3hvu s MET 65 N -1.37 1.21 -0.06 0.44 -1.94 -0.72 -4.34 119.30 112.52 3hvu s MET 65 Ca -0.15 -1.27 0.03 0.00 -1.71 0.00 0.00 55.69 52.60 3hvu s MET 65 Cb -0.08 -1.44 0.01 0.00 2.01 0.00 0.00 34.83 35.33 3hvu s MET 65 CO 0.01 0.32 -0.15 0.00 -0.01 0.00 0.00 175.02 175.19 3hvu s ALA 66 N -1.44 1.39 0.11 3.03 0.00 -0.90 -1.02 121.76 122.93 3hvu s ALA 66 Ca 0.10 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3hvu s ALA 66 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3hvu s ALA 66 CO 0.05 0.19 -0.06 0.14 0.00 0.00 0.00 175.76 176.08 3hvu s VAL 67 N 0.38 0.73 0.06 0.00 -7.23 -1.26 -0.10 120.40 112.99 3hvu s VAL 67 Ca -0.10 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3hvu s VAL 67 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3hvu s VAL 67 CO 0.03 -0.82 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.02 3hvu s SER 68 N -3.07 0.62 0.40 4.85 1.04 -0.11 -4.88 113.70 112.55 3hvu s SER 68 Ca 0.14 -0.94 -0.24 0.00 0.48 0.00 0.00 55.95 55.38 3hvu s SER 68 Cb 0.05 0.16 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 3hvu s SER 68 CO -0.03 -0.53 1.05 -0.55 0.98 0.00 0.00 173.24 174.15 3hvu s SER 69 N -2.78 6.78 0.00 7.02 0.15 -1.26 -0.55 113.70 123.06 3hvu s SER 69 Ca 0.06 2.03 0.22 0.00 0.70 0.00 0.00 55.95 58.95 3hvu s SER 69 Cb 0.05 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.47 3hvu s SER 69 CO -0.08 -0.48 1.53 -1.22 1.20 0.00 0.00 173.24 174.19 3hvu n TYR 70 N -0.06 0.23 0.00 3.44 4.01 -1.26 -4.80 117.16 118.72 3hvu n TYR 70 Ca 0.05 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3hvu n TYR 70 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.21 0.34 0.17 2.72 0.00 -1.26 -4.47 105.19 103.90 3hvu n GLY 71 Ca 0.17 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.80 3hvu n GLY 71 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3hvu h HIS 72 N 0.00 0.00 0.00 1.61 2.07 -2.00 -3.21 115.15 113.62 3hvu h HIS 72 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hvu h HIS 72 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3hvu h HIS 72 CO 0.00 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.73 3hvu n SER 73 N -2.78 0.00 -0.09 3.10 3.41 -1.26 -1.72 113.62 114.28 3hvu n SER 73 Ca 0.04 0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.61 3hvu n SER 73 Cb 0.50 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.36 1.55 0.09 6.66 -1.04 -1.21 -3.54 114.28 115.43 3hvu n THR 74 Ca 0.10 -0.66 0.01 0.00 -2.04 0.00 0.00 64.05 61.46 3hvu n THR 74 Cb 0.22 -1.30 0.35 0.00 -1.82 0.00 0.00 70.33 67.79 3hvu n THR 74 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hvu h VAL 75 N 0.02 1.20 0.00 12.58 2.07 -1.56 -0.71 116.25 129.84 3hvu h VAL 75 Ca -0.52 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3hvu h VAL 75 Cb 2.00 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3hvu h VAL 75 CO -0.01 0.28 -0.84 -1.20 0.02 0.00 0.00 177.57 175.81 3hvu n SER 76 N -4.24 0.67 0.00 0.57 7.64 -0.70 -4.74 113.62 112.82 3hvu n SER 76 Ca -0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3hvu n SER 76 Cb 0.29 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 3hvu n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3hvu n THR 77 N -1.68 0.00 0.00 0.44 -1.04 -1.16 -5.04 114.28 105.80 3hvu n THR 77 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3hvu n THR 77 Cb 0.37 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 3hvu n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hvu n GLY 78 N 0.00 3.01 3.69 3.41 0.00 -0.28 -4.79 105.19 110.22 3hvu n GLY 78 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.52 1.42 -4.39 1.61 2.13 -1.26 -4.41 120.64 115.22 3hvu n GLU 79 Ca 0.00 0.52 -0.20 0.00 0.66 0.00 0.00 57.16 58.14 3hvu n GLU 79 Cb 0.00 -2.24 -0.10 0.00 0.27 0.00 0.00 31.44 29.37 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 3.10 1.97 -0.09 6.31 -7.23 -1.26 -4.20 120.40 118.99 3hvu s VAL 80 Ca 0.94 -2.27 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 3hvu s VAL 80 Cb -0.95 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 3hvu s VAL 80 CO 0.59 -0.53 0.73 -0.75 -0.31 0.00 0.00 175.10 174.82 3hvu s LYS 81 N -3.60 4.40 -0.28 4.82 2.20 0.29 -4.90 119.74 122.66 3hvu s LYS 81 Ca 0.25 0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 56.52 3hvu s LYS 81 Cb -0.02 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3hvu s LYS 81 CO 0.09 -0.03 0.81 0.42 -0.36 0.00 0.00 175.35 176.28 3hvu s ILE 82 N 1.12 4.80 -0.15 5.43 1.01 -1.26 -0.94 121.20 131.22 3hvu s ILE 82 Ca 0.37 1.33 0.13 0.00 0.00 0.00 0.00 60.65 62.48 3hvu s ILE 82 Cb -0.17 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 37.92 3hvu s ILE 82 CO 0.17 -0.19 0.26 0.18 0.00 0.00 0.00 174.94 175.36 3hvu n LEU 83 N 6.15 0.79 -3.65 2.97 4.77 0.86 -4.84 117.00 124.06 3hvu n LEU 83 Ca 0.04 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 3hvu n LEU 83 Cb 0.48 0.13 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 3hvu n LEU 83 CO 0.49 0.53 -0.29 -0.75 -1.33 0.00 0.00 177.39 176.04 3hvu s LYS 84 N -2.53 -0.00 0.73 3.23 2.20 -0.76 -4.92 119.74 117.69 3hvu s LYS 84 Ca -0.12 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3hvu s LYS 84 Cb 0.07 -0.69 0.11 0.00 -1.51 0.00 0.00 37.83 35.81 3hvu s LYS 84 CO 0.80 -0.40 1.03 0.34 -0.36 0.00 0.00 175.35 176.76 3hvu s ASP 85 N 2.22 4.40 0.55 1.43 -1.08 -1.26 -2.12 116.67 120.80 3hvu s ASP 85 Ca 0.04 0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 51.90 3hvu s ASP 85 Cb -0.13 -0.51 -0.05 0.00 -1.46 0.00 0.00 42.92 40.78 3hvu s ASP 85 CO -0.05 -1.83 1.23 -0.76 0.52 0.00 0.00 175.17 174.27 3hvu s LEU 86 N -5.25 3.79 0.14 -1.34 1.43 -1.26 -4.80 118.68 111.39 3hvu s LEU 86 Ca 0.65 2.44 0.25 0.00 -1.03 0.00 0.00 54.13 56.44 3hvu s LEU 86 Cb -0.07 -4.44 0.94 0.00 0.03 0.00 0.00 46.19 42.64 3hvu s LEU 86 CO 0.45 -1.41 1.77 0.47 0.23 0.00 0.00 176.35 177.86 3hvu n ASP 87 N -1.18 0.48 -4.20 2.29 8.00 -1.26 -4.83 116.55 115.83 3hvu n ASP 87 Ca 0.11 0.56 -0.12 0.00 0.71 0.00 0.00 54.79 56.06 3hvu n ASP 87 Cb 0.48 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.10 0.56 0.59 -3.53 -1.32 -1.26 -5.15 115.64 102.43 3hvu s THR 88 Ca 0.10 -1.95 -0.18 0.00 -1.21 0.00 0.00 61.69 58.45 3hvu s THR 88 Cb 0.13 -1.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 3hvu s THR 88 CO 0.50 -0.59 1.11 -0.94 -2.21 0.00 0.00 174.62 172.50 3hvu s SER 89 N -3.11 5.52 0.02 8.08 1.04 -1.26 -4.98 113.70 119.01 3hvu s SER 89 Ca 0.20 2.08 0.15 0.00 0.48 0.00 0.00 55.95 58.86 3hvu s SER 89 Cb 0.06 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.44 3hvu s SER 89 CO 0.01 -1.35 0.77 0.58 0.98 0.00 0.00 173.24 174.23 3hvu h VAL 90 N 0.73 0.67 -1.54 5.02 2.07 -1.96 -3.46 116.25 117.78 3hvu h VAL 90 Ca -0.49 -2.33 -0.73 0.00 0.82 0.00 0.00 66.70 63.97 3hvu h VAL 90 Cb 1.25 2.22 0.03 0.00 -1.52 0.00 0.00 31.29 33.27 3hvu h VAL 90 CO 0.56 0.38 0.75 1.21 0.02 0.00 0.00 177.57 180.49 3hvu n GLU 91 N -2.97 1.07 -0.90 1.57 2.13 -1.09 -0.98 120.64 119.47 3hvu n GLU 91 Ca -0.12 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3hvu n GLU 91 Cb 0.93 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 3.65 0.65 3.91 8.31 0.00 -0.05 -4.92 105.19 116.75 3hvu n GLY 92 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 3.56 -0.41 1.61 1.81 -0.15 -4.35 118.95 120.68 3hvu s ARG 93 Ca 0.00 -0.24 -0.21 0.00 -1.72 0.00 0.00 55.73 53.56 3hvu s ARG 93 Cb 0.00 -2.84 0.02 0.00 -0.45 0.00 0.00 34.95 31.68 3hvu s ARG 93 CO 0.00 0.42 0.69 -0.51 -0.68 0.00 0.00 175.30 175.22 3hvu s ASP 94 N -2.87 6.39 -0.11 0.23 1.01 -1.26 0.57 116.67 120.63 3hvu s ASP 94 Ca 0.39 -0.10 -0.14 0.00 0.71 0.00 0.00 52.55 53.41 3hvu s ASP 94 Cb -0.11 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3hvu s ASP 94 CO 0.27 -0.76 0.33 -0.63 0.21 0.00 0.00 175.17 174.60 3hvu s ILE 95 N 2.93 5.23 -0.24 0.77 -1.09 0.35 -0.93 121.20 128.22 3hvu s ILE 95 Ca 0.25 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.34 3hvu s ILE 95 Cb -0.14 -3.66 0.06 0.00 -1.58 0.00 0.00 42.46 37.15 3hvu s ILE 95 CO 0.19 0.46 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.06 3hvu s LEU 96 N -0.09 2.90 -0.18 2.97 2.96 -0.05 -0.95 118.68 126.24 3hvu s LEU 96 Ca 0.20 -1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 52.65 3hvu s LEU 96 Cb -0.14 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3hvu s LEU 96 CO 0.07 -0.21 0.60 -0.63 -1.32 0.00 0.00 176.35 174.86 3hvu s ILE 97 N 1.28 5.06 -0.24 6.68 1.01 0.42 -0.43 121.20 134.98 3hvu s ILE 97 Ca -0.07 1.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.64 3hvu s ILE 97 Cb -0.19 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3hvu s ILE 97 CO -0.06 0.16 0.08 -0.69 0.00 0.00 0.00 174.94 174.43 3hvu s VAL 98 N 1.62 4.56 0.11 2.92 1.01 0.27 -0.87 120.40 130.03 3hvu s VAL 98 Ca 0.28 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3hvu s VAL 98 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3hvu s VAL 98 CO 0.11 0.36 -0.13 -0.70 0.00 0.00 0.00 175.10 174.74 3hvu s GLU 99 N 1.31 0.95 -0.10 2.72 2.56 -0.28 -4.11 118.70 121.74 3hvu s GLU 99 Ca 0.05 -1.19 -0.14 0.00 0.00 0.00 0.00 54.97 53.69 3hvu s GLU 99 Cb -0.15 -0.76 -0.28 0.00 2.00 0.00 0.00 34.13 34.95 3hvu s GLU 99 CO 0.04 0.14 0.55 0.38 -0.56 0.00 0.00 175.26 175.81 3hvu h ASP 100 N 3.58 0.42 -4.01 -1.70 2.03 -1.87 -2.04 116.42 112.83 3hvu h ASP 100 Ca -0.39 -0.87 -0.13 0.00 -0.73 0.00 0.00 57.03 54.91 3hvu h ASP 100 Cb 1.19 -0.14 -0.24 0.00 -0.83 0.00 0.00 39.33 39.32 3hvu h ASP 100 CO 0.51 1.67 -0.29 -0.51 -1.03 0.00 0.00 179.24 179.59 3hvu s ILE 101 N -2.50 0.01 -0.17 4.15 2.07 -1.26 -0.51 121.20 122.99 3hvu s ILE 101 Ca -0.20 -0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 58.98 3hvu s ILE 101 Cb 0.05 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.12 3hvu s ILE 101 CO 0.78 -0.03 -0.14 -0.63 -1.91 0.00 0.00 174.94 173.00 3hvu s ILE 102 N -0.01 2.67 0.00 2.00 1.01 -0.81 -4.99 121.20 121.07 3hvu s ILE 102 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3hvu s ILE 102 Cb -0.03 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3hvu s ILE 102 CO 0.01 0.50 0.00 -0.67 0.00 0.00 0.00 174.94 174.78 3hvu n ASP 103 N 4.29 0.00 0.13 3.58 -0.08 -1.26 -1.43 116.55 121.77 3hvu n ASP 103 Ca -0.19 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.08 3hvu n ASP 103 Cb 0.51 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.19 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 0.09 0.00 1.67 4.64 -1.87 -2.52 113.55 115.56 3hvu h SER 104 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hvu h SER 104 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3hvu h SER 104 CO 0.00 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3hvu n GLY 105 N 0.01 1.03 0.05 -0.77 0.00 -1.26 -1.03 105.19 103.22 3hvu n GLY 105 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.01 -0.27 0.99 3.38 -1.91 -0.46 115.31 117.02 3hvu h LEU 106 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hvu h LEU 106 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hvu h LEU 106 CO 0.00 0.15 0.05 0.74 0.09 0.00 0.00 178.44 179.48 3hvu h THR 107 N -0.18 1.22 -0.64 0.22 2.02 -1.89 -1.91 112.91 111.75 3hvu h THR 107 Ca -0.00 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 3hvu h THR 107 Cb 0.17 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3hvu h THR 107 CO 0.00 0.24 0.08 0.25 0.37 0.00 0.00 175.52 176.47 3hvu h LEU 108 N 0.26 1.02 -0.74 2.58 5.85 -1.90 -1.86 115.31 120.52 3hvu h LEU 108 Ca 0.08 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3hvu h LEU 108 Cb 0.31 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hvu h LEU 108 CO 0.00 1.02 0.29 -1.28 -0.34 0.00 0.00 178.44 178.14 3hvu h SER 109 N 0.99 1.02 -0.60 1.25 0.87 -0.95 0.56 113.55 116.68 3hvu h SER 109 Ca 0.19 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3hvu h SER 109 Cb 0.45 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3hvu h SER 109 CO 0.02 0.92 0.34 0.22 -0.53 0.00 0.00 176.83 177.79 3hvu h TYR 110 N 1.06 0.81 -0.36 2.24 3.20 -0.89 -2.33 116.97 120.70 3hvu h TYR 110 Ca 0.25 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3hvu h TYR 110 Cb 0.22 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3hvu h TYR 110 CO 0.02 0.57 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.80 3hvu h LEU 111 N 0.81 0.83 -0.14 2.82 3.38 -0.95 -1.10 115.31 120.96 3hvu h LEU 111 Ca 0.21 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3hvu h LEU 111 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hvu h LEU 111 CO -0.04 1.08 -0.10 0.58 0.09 0.00 0.00 178.44 180.05 3hvu h VAL 112 N 0.58 0.70 0.00 1.22 2.07 -0.76 0.17 116.25 120.24 3hvu h VAL 112 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3hvu h VAL 112 Cb 0.80 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hvu h VAL 112 CO 0.06 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.99 3hvu h ASP 113 N -0.10 0.00 -0.23 0.57 3.32 -1.37 -1.23 116.42 117.38 3hvu h ASP 113 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3hvu h ASP 113 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3hvu h ASP 113 CO -0.21 0.11 -0.08 0.25 -1.72 0.00 0.00 179.24 177.59 3hvu h LEU 114 N 0.00 0.47 -1.06 1.55 5.85 -0.23 0.48 115.31 122.37 3hvu h LEU 114 Ca -0.00 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 3hvu h LEU 114 Cb 0.70 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3hvu h LEU 114 CO 0.01 0.75 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.51 3hvu h PHE 115 N 0.19 0.59 -0.28 1.25 0.04 -0.04 -0.65 116.94 118.05 3hvu h PHE 115 Ca 0.05 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 3hvu h PHE 115 Cb 0.56 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3hvu h PHE 115 CO 0.06 0.64 -0.35 0.87 -0.60 0.00 0.00 178.31 178.93 3hvu h LYS 116 N 0.51 0.61 -0.67 1.51 1.57 -1.10 -1.91 116.57 117.09 3hvu h LYS 116 Ca 0.10 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3hvu h LYS 116 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3hvu h LYS 116 CO 0.03 0.87 0.27 -0.92 -0.57 0.00 0.00 179.45 179.13 3hvu h TYR 117 N 0.51 0.99 0.00 -1.35 3.20 -0.23 -1.18 116.97 118.91 3hvu h TYR 117 Ca 0.05 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hvu h TYR 117 Cb 0.85 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3hvu h TYR 117 CO 0.04 0.75 0.00 0.54 -1.64 0.00 0.00 178.16 177.85 3hvu n ARG 118 N -4.31 0.86 -2.62 1.82 1.74 -0.31 -4.88 116.66 108.96 3hvu n ARG 118 Ca 0.06 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 3hvu n ARG 118 Cb 0.17 -1.01 0.02 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.51 -2.24 -1.58 5.56 5.02 -0.45 -2.68 118.16 121.27 3hvu n LYS 119 Ca 0.01 0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 56.33 3hvu n LYS 119 Cb 0.00 -4.16 0.08 0.00 -0.02 0.00 0.00 35.03 30.93 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 -2.84 2.23 0.06 7.82 0.00 -0.77 -0.87 121.76 127.38 3hvu s ALA 120 Ca 0.14 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 3hvu s ALA 120 Cb -0.06 -3.51 -0.19 0.00 0.00 0.00 0.00 23.12 19.36 3hvu s ALA 120 CO 0.18 -1.75 1.22 -0.22 0.00 0.00 0.00 175.76 175.19 3hvu h LYS 121 N 0.10 0.61 -3.28 0.00 3.64 -0.07 -3.43 116.57 114.13 3hvu h LYS 121 Ca -0.49 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 58.28 3hvu h LYS 121 Cb 1.31 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 33.12 3hvu h LYS 121 CO 0.51 1.16 -0.11 -1.54 -2.27 0.00 0.00 179.45 177.21 3hvu s SER 122 N -6.91 -0.23 -0.05 4.20 1.04 -1.18 -4.97 113.70 105.60 3hvu s SER 122 Ca -0.12 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 3hvu s SER 122 Cb 0.06 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3hvu s SER 122 CO 0.86 -0.77 0.04 -0.69 0.98 0.00 0.00 173.24 173.66 3hvu s VAL 123 N -3.29 0.04 0.20 5.02 1.01 -1.26 -0.50 120.40 121.63 3hvu s VAL 123 Ca -0.00 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.37 3hvu s VAL 123 Cb 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 3hvu s VAL 123 CO -0.08 0.20 -0.12 -0.54 0.00 0.00 0.00 175.10 174.56 3hvu s LYS 124 N 2.03 1.28 -0.05 2.72 1.02 -0.13 -4.99 119.74 121.62 3hvu s LYS 124 Ca 0.04 -1.58 0.02 0.00 0.02 0.00 0.00 55.97 54.47 3hvu s LYS 124 Cb -0.12 -0.98 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 3hvu s LYS 124 CO -0.04 0.13 -0.09 0.42 -0.92 0.00 0.00 175.35 174.86 3hvu s ILE 125 N -3.08 0.88 -0.13 2.17 1.01 -1.26 -0.44 121.20 120.35 3hvu s ILE 125 Ca 0.22 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3hvu s ILE 125 Cb 0.01 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3hvu s ILE 125 CO 0.06 0.29 -0.18 0.54 0.00 0.00 0.00 174.94 175.65 3hvu s VAL 126 N 0.64 2.49 0.00 2.92 0.11 -0.05 -0.99 120.40 125.52 3hvu s VAL 126 Ca -0.12 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 3hvu s VAL 126 Cb -0.14 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.68 3hvu s VAL 126 CO 0.02 0.54 -0.16 0.28 -3.33 0.00 0.00 175.10 172.45 3hvu s THR 127 N 0.56 1.23 0.06 5.04 -1.32 -0.43 -1.13 115.64 119.66 3hvu s THR 127 Ca -0.11 -0.76 -0.18 0.00 -1.21 0.00 0.00 61.69 59.43 3hvu s THR 127 Cb -0.16 -1.05 -0.13 0.00 -1.51 0.00 0.00 72.50 69.65 3hvu s THR 127 CO 0.04 0.28 1.34 0.25 -2.21 0.00 0.00 174.62 174.32 3hvu h LEU 128 N 5.56 0.54 -8.52 9.08 5.85 -1.33 -1.19 115.31 125.30 3hvu h LEU 128 Ca -0.36 -0.51 -0.60 0.00 0.84 0.00 0.00 57.88 57.24 3hvu h LEU 128 Cb 1.16 -0.15 -0.27 0.00 0.37 0.00 0.00 40.66 41.76 3hvu h LEU 128 CO 0.47 0.95 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.91 3hvu s LEU 129 N -8.95 2.11 -0.05 2.25 1.43 0.33 -0.09 118.68 115.71 3hvu s LEU 129 Ca -0.13 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3hvu s LEU 129 Cb 0.06 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.25 3hvu s LEU 129 CO 0.79 0.21 -0.11 -0.62 0.23 0.00 0.00 176.35 176.85 3hvu s ASP 130 N -0.89 1.57 -0.61 2.29 2.15 -0.04 -1.91 116.67 119.22 3hvu s ASP 130 Ca 0.08 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.86 3hvu s ASP 130 Cb -0.09 -0.66 0.20 0.00 -0.30 0.00 0.00 42.92 42.08 3hvu s ASP 130 CO 0.01 0.03 0.56 1.17 -0.17 0.00 0.00 175.17 176.77 3hvu n LYS 131 N 3.70 1.69 -0.04 4.34 4.81 -0.52 -0.45 118.16 131.69 3hvu n LYS 131 Ca -0.22 -4.21 0.16 0.00 -0.87 0.00 0.00 58.31 53.16 3hvu n LYS 131 Cb 0.52 -2.06 0.59 0.00 0.02 0.00 0.00 35.03 34.09 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 4.88 0.21 0.00 1.64 0.13 -1.83 -1.71 132.00 135.32 3hvu h PRO 132 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3hvu h PRO 132 Cb 0.76 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hvu h PRO 132 CO 0.68 0.14 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 3hvu n THR 133 N -4.44 0.99 1.40 1.56 -2.24 -1.26 -2.52 114.28 107.77 3hvu n THR 133 Ca 0.09 0.42 0.14 0.00 -2.27 0.00 0.00 64.05 62.43 3hvu n THR 133 Cb 0.47 -1.36 0.48 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.52 -0.34 3.76 3.38 0.00 -0.64 -4.99 105.19 105.84 3hvu n GLY 134 Ca 0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.27 2.68 0.00 1.61 5.12 -0.95 -3.60 116.66 121.25 3hvu n ARG 135 Ca 0.16 0.95 0.04 0.00 -1.93 0.00 0.00 57.85 57.07 3hvu n ARG 135 Cb 0.34 -2.71 -0.02 0.00 -1.16 0.00 0.00 32.46 28.91 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 1.47 3.30 -3.86 5.56 4.76 -0.19 -4.96 118.16 124.24 3hvu n LYS 136 Ca 0.06 -0.27 -0.10 0.00 -2.87 0.00 0.00 58.31 55.13 3hvu n LYS 136 Cb 0.37 -0.95 -0.08 0.00 -1.84 0.00 0.00 35.03 32.53 3hvu n LYS 136 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hvu s VAL 137 N -1.49 0.12 -0.13 -0.18 0.11 -1.21 -5.03 120.40 112.59 3hvu s VAL 137 Ca 0.05 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.81 3hvu s VAL 137 Cb 0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 3hvu s VAL 137 CO 0.27 -0.55 1.13 -1.81 -3.33 0.00 0.00 175.10 170.81 3hvu s ASP 138 N -2.26 7.09 -0.30 3.54 -0.00 -1.26 -4.84 116.67 118.65 3hvu s ASP 138 Ca -0.03 1.62 -0.08 0.00 -0.00 0.00 0.00 52.55 54.05 3hvu s ASP 138 Cb 0.00 -2.55 0.17 0.00 -0.00 0.00 0.00 42.92 40.54 3hvu s ASP 138 CO -0.05 -0.60 0.77 -0.22 -0.00 0.00 0.00 175.17 175.06 3hvu s LEU 139 N 2.64 -1.00 -0.13 1.23 2.96 -1.26 -5.05 118.68 118.07 3hvu s LEU 139 Ca 0.51 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 3hvu s LEU 139 Cb -0.20 1.97 -0.03 0.00 0.50 0.00 0.00 46.19 48.43 3hvu s LEU 139 CO 0.16 -0.19 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.39 3hvu s LYS 140 N 2.81 3.41 0.44 1.98 1.02 -1.26 -5.03 119.74 123.10 3hvu s LYS 140 Ca 0.05 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.25 3hvu s LYS 140 Cb -0.12 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.33 3hvu s LYS 140 CO -0.18 0.33 1.10 0.00 -0.92 0.00 0.00 175.35 175.68 3hvu s ALA 141 N 0.09 3.01 0.12 5.17 0.00 -1.26 -4.92 121.76 123.97 3hvu s ALA 141 Ca -0.02 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3hvu s ALA 141 Cb -0.14 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 3hvu s ALA 141 CO 0.03 -0.43 1.28 -0.44 0.00 0.00 0.00 175.76 176.20 3hvu h ASP 142 N 2.18 0.18 -3.68 0.00 3.32 -1.46 -3.44 116.42 113.52 3hvu h ASP 142 Ca -0.49 -0.18 -0.41 0.00 0.02 0.00 0.00 57.03 55.97 3hvu h ASP 142 Cb 1.23 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 3hvu h ASP 142 CO 0.61 1.09 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.13 3hvu s TYR 143 N -2.85 0.85 -0.04 4.55 2.02 -0.64 -5.01 117.35 116.22 3hvu s TYR 143 Ca -0.01 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3hvu s TYR 143 Cb 0.09 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 41.03 3hvu s TYR 143 CO 0.84 -0.13 -0.02 0.08 -1.57 0.00 0.00 175.55 174.75 3hvu s VAL 144 N 0.42 0.38 -0.05 0.71 1.01 -1.26 -1.31 120.40 120.31 3hvu s VAL 144 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3hvu s VAL 144 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3hvu s VAL 144 CO 0.01 0.20 0.40 1.23 0.00 0.00 0.00 175.10 176.93 3hvu h GLY 145 N 7.39 -0.32 -5.50 4.51 0.00 -0.99 -3.47 103.07 104.68 3hvu h GLY 145 Ca -0.36 0.12 -0.33 0.00 0.00 0.00 0.00 47.33 46.76 3hvu h GLY 145 CO 0.44 -0.12 -0.75 -1.36 0.00 0.00 0.00 176.54 174.74 3hvu s PHE 146 N -2.55 0.46 -0.27 5.60 0.08 0.87 -5.02 117.98 117.16 3hvu s PHE 146 Ca -0.05 -0.09 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 3hvu s PHE 146 Cb 0.00 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 3hvu s PHE 146 CO 0.14 -0.03 0.36 0.99 -0.10 0.00 0.00 175.22 176.57 3hvu s THR 147 N 0.03 5.19 0.14 0.64 2.01 -1.26 -0.86 115.64 121.53 3hvu s THR 147 Ca 0.00 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.60 3hvu s THR 147 Cb -0.04 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3hvu s THR 147 CO -0.00 0.17 0.06 0.68 -0.69 0.00 0.00 174.62 174.84 3hvu s VAL 148 N 1.98 4.15 0.00 3.82 -7.23 0.40 -4.92 120.40 118.60 3hvu s VAL 148 Ca 0.14 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3hvu s VAL 148 Cb -0.16 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.72 3hvu s VAL 148 CO 0.10 -0.03 0.00 -0.81 -0.31 0.00 0.00 175.10 174.05 3hvu n PRO 149 N 0.03 3.57 -3.17 4.82 -0.04 -1.26 -4.49 135.00 134.45 3hvu n PRO 149 Ca -0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.92 3hvu n PRO 149 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3hvu n PRO 149 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3hvu n HIS 150 N 0.00 4.17 -4.34 0.54 1.44 -1.26 -4.97 115.22 110.80 3hvu n HIS 150 Ca 0.00 -3.40 -0.26 0.00 -2.01 0.00 0.00 57.72 52.05 3hvu n HIS 150 Cb 0.00 -1.59 -0.13 0.00 0.12 0.00 0.00 29.99 28.39 3hvu n HIS 150 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hvu s GLU 151 N -1.59 1.27 -0.53 -1.40 0.41 -1.26 -5.09 118.70 110.50 3hvu s GLU 151 Ca 0.32 -1.27 -0.22 0.00 -0.41 0.00 0.00 54.97 53.39 3hvu s GLU 151 Cb -0.04 -1.63 0.05 0.00 -1.78 0.00 0.00 34.13 30.73 3hvu s GLU 151 CO -0.01 0.38 0.80 0.12 -0.49 0.00 0.00 175.26 176.06 3hvu s PHE 152 N -1.17 2.91 0.11 1.61 5.36 -1.26 -5.03 117.98 120.50 3hvu s PHE 152 Ca 0.11 -0.27 0.06 0.00 -0.96 0.00 0.00 56.93 55.86 3hvu s PHE 152 Cb -0.10 -3.83 -0.04 0.00 -0.34 0.00 0.00 43.02 38.71 3hvu s PHE 152 CO 0.05 -1.21 -0.02 0.14 -1.46 0.00 0.00 175.22 172.72 3hvu s VAL 153 N 3.34 3.81 0.16 3.12 -7.23 -1.26 -2.71 120.40 119.64 3hvu s VAL 153 Ca 0.23 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 3hvu s VAL 153 Cb -0.16 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 3hvu s VAL 153 CO 0.16 0.08 0.12 0.68 -0.31 0.00 0.00 175.10 175.83 3hvu s VAL 154 N -1.36 0.06 0.00 1.32 -7.23 -0.32 -4.68 120.40 108.19 3hvu s VAL 154 Ca 0.25 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3hvu s VAL 154 Cb -0.11 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3hvu s VAL 154 CO 0.17 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3hvu n GLY 155 N -0.18 1.70 4.21 2.32 0.00 0.13 -0.74 105.19 112.64 3hvu n GLY 155 Ca -0.03 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 1.74 -1.38 0.00 1.61 9.36 -0.12 -0.30 117.16 128.07 3hvu n TYR 156 Ca 0.00 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.87 3hvu n TYR 156 Cb 0.00 -3.08 0.00 0.00 -0.63 0.00 0.00 39.34 35.63 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 -2.41 2.59 3.73 2.98 0.00 0.01 -4.56 105.19 107.53 3hvu n GLY 157 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 4.47 0.41 0.99 1.43 0.59 -4.31 118.68 122.27 3hvu s LEU 158 Ca 0.00 1.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.85 3hvu s LEU 158 Cb 0.00 -3.49 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 3hvu s LEU 158 CO 0.00 -0.07 0.06 1.51 0.23 0.00 0.00 176.35 178.08 3hvu s ASP 159 N 0.11 4.05 -0.18 2.29 -4.77 -1.26 -0.69 116.67 116.22 3hvu s ASP 159 Ca 0.45 -1.29 -0.03 0.00 -3.30 0.00 0.00 52.55 48.38 3hvu s ASP 159 Cb -0.22 -0.39 0.06 0.00 -1.09 0.00 0.00 42.92 41.27 3hvu s ASP 159 CO 0.28 -0.49 0.04 -0.47 0.70 0.00 0.00 175.17 175.23 3hvu s TYR 160 N -2.68 0.83 -1.44 2.11 5.04 -0.59 -4.81 117.35 115.81 3hvu s TYR 160 Ca 0.36 -0.68 -0.08 0.00 -2.44 0.00 0.00 57.07 54.23 3hvu s TYR 160 Cb 0.08 -0.94 0.05 0.00 0.35 0.00 0.00 41.96 41.50 3hvu s TYR 160 CO 0.19 -0.56 0.89 1.63 -1.34 0.00 0.00 175.55 176.36 3hvu n LYS 161 N 5.10 -5.47 -0.66 4.97 5.02 -1.26 -1.74 118.16 124.13 3hvu n LYS 161 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3hvu n LYS 161 Cb 0.48 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 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 -4.55 0.00 -3.36 1.97 -0.58 -1.26 -4.99 120.64 107.86 3hvu n GLU 162 Ca -0.09 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.45 3hvu n GLU 162 Cb 0.59 -3.22 -0.00 0.00 -0.57 0.00 0.00 31.44 28.24 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 -0.35 2.55 0.00 3.49 -0.21 -0.71 -4.61 119.66 119.81 3hvu s GLN 163 Ca 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 53.86 3hvu s GLN 163 Cb 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.52 3hvu s GLN 163 CO 0.00 -0.36 0.00 0.66 -2.12 0.00 0.00 175.29 173.47 3hvu n TYR 164 N -1.76 0.00 0.30 0.91 4.01 -1.26 -1.54 117.16 117.82 3hvu n TYR 164 Ca 0.06 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.97 3hvu n TYR 164 Cb 0.61 -0.12 0.91 0.00 -0.31 0.00 0.00 39.34 40.44 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 2.04 0.00 -0.01 -0.72 3.08 -1.81 -2.10 114.38 114.86 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 0.04 -0.02 0.27 -1.07 0.00 0.00 179.97 179.19 3hvu n ASN 166 N -3.49 0.54 -4.77 7.04 6.94 -1.26 -0.81 115.26 119.45 3hvu n ASN 166 Ca -0.02 -1.02 -0.40 0.00 -0.02 0.00 0.00 54.58 53.12 3hvu n ASN 166 Cb 0.16 -0.03 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 -2.12 4.22 0.00 -4.53 1.43 -0.80 -4.81 118.68 112.07 3hvu s LEU 167 Ca 0.40 2.77 0.12 0.00 -1.03 0.00 0.00 54.13 56.39 3hvu s LEU 167 Cb 0.21 -3.86 0.61 0.00 0.03 0.00 0.00 46.19 43.18 3hvu s LEU 167 CO 0.39 -0.91 1.41 -0.81 0.23 0.00 0.00 176.35 176.66 3hvu n PRO 168 N 0.15 1.20 -4.22 1.29 -0.04 -1.26 -0.94 135.00 131.17 3hvu n PRO 168 Ca 0.03 -0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.05 3hvu n PRO 168 Cb 0.42 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.92 1.30 -0.25 0.54 -0.85 -1.26 -4.04 117.35 110.87 3hvu s TYR 169 Ca 0.19 -1.44 -0.08 0.00 -0.52 0.00 0.00 57.07 55.23 3hvu s TYR 169 Cb 0.09 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 3hvu s TYR 169 CO 0.15 -0.68 0.08 0.08 -1.52 0.00 0.00 175.55 173.66 3hvu s VAL 170 N -4.00 4.40 0.31 -3.49 1.01 -0.67 -3.05 120.40 114.91 3hvu s VAL 170 Ca 0.39 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.30 3hvu s VAL 170 Cb 0.06 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 3hvu s VAL 170 CO 0.15 0.33 -0.05 -0.83 0.00 0.00 0.00 175.10 174.71 3hvu s GLY 171 N 1.61 1.99 -0.24 4.51 0.00 0.08 -0.16 107.32 115.11 3hvu s GLY 171 Ca 0.06 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 42.68 3hvu s GLY 171 CO 0.04 -1.90 0.20 0.14 0.00 0.00 0.00 173.10 171.59 3hvu s VAL 172 N -2.93 5.32 0.22 1.40 1.01 0.40 -1.18 120.40 124.64 3hvu s VAL 172 Ca 0.31 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3hvu s VAL 172 Cb 0.04 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 3hvu s VAL 172 CO 0.14 0.31 1.00 -0.22 0.00 0.00 0.00 175.10 176.32 3hvu s LEU 173 N 1.27 4.59 0.31 3.92 2.96 -1.10 0.09 118.68 130.71 3hvu s LEU 173 Ca 0.09 2.01 -0.29 0.00 -0.22 0.00 0.00 54.13 55.72 3hvu s LEU 173 Cb -0.14 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 3hvu s LEU 173 CO 0.06 0.02 1.45 -0.54 -1.32 0.00 0.00 176.35 176.02 3hvu s LYS 174 N -0.95 4.22 0.32 1.98 1.02 -0.29 -4.64 119.74 121.41 3hvu s LYS 174 Ca 0.44 2.41 0.11 0.00 0.02 0.00 0.00 55.97 58.94 3hvu s LYS 174 Cb -0.27 -3.05 0.94 0.00 -0.52 0.00 0.00 37.83 34.93 3hvu s LYS 174 CO 0.34 -0.44 1.70 -1.35 -0.92 0.00 0.00 175.35 174.69 3hvu h PRO 175 N 4.08 0.47 -0.70 -1.68 0.11 -1.95 -1.98 132.00 130.35 3hvu h PRO 175 Ca -0.48 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.70 3hvu h PRO 175 Cb 1.23 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3hvu h PRO 175 CO 0.72 0.31 0.46 1.03 -0.21 0.00 0.00 178.00 180.31 3hvu h SER 176 N 0.48 0.50 -0.04 -2.05 0.87 -1.91 -1.94 113.55 109.47 3hvu h SER 176 Ca 0.67 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 61.17 3hvu h SER 176 Cb 1.36 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3hvu h SER 176 CO -0.52 0.30 -0.17 0.58 -0.53 0.00 0.00 176.83 176.49 3hvu h VAL 177 N 0.56 1.23 -0.17 2.23 2.07 -1.72 -3.26 116.25 117.18 3hvu h VAL 177 Ca 0.32 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3hvu h VAL 177 Cb 0.52 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3hvu h VAL 177 CO -0.11 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.80 3hvu n TYR 178 N -4.20 0.23 -1.90 1.57 4.11 -1.05 -5.12 117.16 110.80 3hvu n TYR 178 Ca -0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.90 57.46 3hvu n TYR 178 Cb 0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.63 3hvu n TYR 178 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73