#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptv h MET 3 N 0.00 0.00 -0.09 5.31 -0.00 -1.87 -3.10 114.93 115.19 1ptv h MET 3 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 1ptv h MET 3 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ptv h MET 3 CO 0.00 0.49 -0.74 1.49 -0.00 0.00 0.00 176.91 178.15 1ptv h GLU 4 N 0.00 0.47 -0.13 -0.10 4.81 -1.98 0.30 114.58 117.95 1ptv h GLU 4 Ca -0.04 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1ptv h GLU 4 Cb 1.47 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 1ptv h GLU 4 CO 0.07 1.02 -0.04 0.87 -0.73 0.00 0.00 179.01 180.20 1ptv h LYS 5 N 0.32 0.26 -0.49 1.92 1.57 -2.00 -1.65 116.57 116.49 1ptv h LYS 5 Ca -0.03 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1ptv h LYS 5 Cb 1.32 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1ptv h LYS 5 CO 0.13 0.56 0.32 1.49 -0.57 0.00 0.00 179.45 181.38 1ptv h GLU 6 N -0.06 0.63 -0.23 3.15 4.81 -1.51 0.16 114.58 121.52 1ptv h GLU 6 Ca 0.03 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1ptv h GLU 6 Cb 0.47 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 1ptv h GLU 6 CO 0.01 0.42 -0.20 0.35 -0.73 0.00 0.00 179.01 178.86 1ptv h PHE 7 N 0.65 -0.51 -0.73 0.92 3.57 -0.24 -0.49 116.94 120.11 1ptv h PHE 7 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1ptv h PHE 7 Cb -0.06 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1ptv h PHE 7 CO -0.05 -0.27 0.40 0.93 -2.23 0.00 0.00 178.31 177.08 1ptv h GLU 8 N -0.20 1.01 -0.20 1.11 5.08 -0.74 -0.45 114.58 120.20 1ptv h GLU 8 Ca 0.13 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ptv h GLU 8 Cb 0.40 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ptv h GLU 8 CO -0.35 0.74 0.04 0.37 -1.00 0.00 0.00 179.01 178.81 1ptv h GLN 9 N 1.01 0.32 -0.57 2.33 4.15 -0.42 0.17 115.11 122.10 1ptv h GLN 9 Ca 0.26 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 1ptv h GLN 9 Cb 0.03 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1ptv h GLN 9 CO -0.04 0.46 0.00 0.82 -1.93 0.00 0.00 178.83 178.14 1ptv h ILE 10 N 0.13 1.26 0.08 2.39 2.04 -0.81 -1.16 117.51 121.45 1ptv h ILE 10 Ca 0.06 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1ptv h ILE 10 Cb 0.29 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1ptv h ILE 10 CO 0.00 0.41 -0.04 -0.78 0.00 0.00 0.00 178.15 177.74 1ptv h ASP 11 N 0.90 -0.09 -0.38 1.72 3.58 -1.01 0.31 116.42 121.45 1ptv h ASP 11 Ca 0.16 -0.27 0.07 0.00 0.42 0.00 0.00 57.03 57.42 1ptv h ASP 11 Cb 0.54 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 1ptv h ASP 11 CO 0.03 0.22 -0.01 0.07 -2.88 0.00 0.00 179.24 176.67 1ptv h LYS 12 N -0.41 0.08 -0.03 0.28 2.10 -0.55 0.25 116.57 118.30 1ptv h LYS 12 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ptv h LYS 12 Cb 0.35 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1ptv h LYS 12 CO 0.02 0.06 0.00 -1.13 -2.00 0.00 0.00 179.45 176.39 1ptv n SER 13 N -5.21 0.37 -4.03 7.07 3.41 -0.45 -4.92 113.62 109.86 1ptv n SER 13 Ca 0.02 -1.39 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 1ptv n SER 13 Cb 0.20 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1ptv n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ptv n GLY 14 N 0.91 -0.32 1.65 5.00 0.00 0.88 -4.90 105.19 108.40 1ptv n GLY 14 Ca 0.17 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 1ptv n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ptv n SER 15 N -2.86 4.14 0.07 1.61 3.41 0.62 -4.73 113.62 115.88 1ptv n SER 15 Ca -0.28 -3.79 -0.01 0.00 -0.26 0.00 0.00 58.87 54.53 1ptv n SER 15 Cb 0.67 -0.42 0.27 0.00 -0.26 0.00 0.00 64.21 64.47 1ptv n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1ptv h TRP 16 N 1.84 0.36 -0.32 7.33 4.06 -1.91 -2.07 115.95 125.24 1ptv h TRP 16 Ca 0.28 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1ptv h TRP 16 Cb 1.39 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.44 1ptv h TRP 16 CO 0.85 0.56 0.20 0.00 -3.56 0.00 0.00 178.44 176.50 1ptv h ALA 17 N 1.44 0.41 0.04 1.49 0.00 -1.92 -1.63 119.26 119.09 1ptv h ALA 17 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ptv h ALA 17 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ptv h ALA 17 CO 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.17 1ptv h ALA 18 N 1.10 -0.05 -0.53 0.00 0.00 -1.90 -0.12 119.26 117.75 1ptv h ALA 18 Ca 0.12 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ptv h ALA 18 Cb -0.02 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 1ptv h ALA 18 CO -0.02 -0.36 -0.06 0.82 0.00 0.00 0.00 179.25 179.63 1ptv h ILE 19 N -0.39 0.53 -0.33 0.00 1.08 -1.34 -0.24 117.51 116.82 1ptv h ILE 19 Ca -0.01 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.33 1ptv h ILE 19 Cb 0.36 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1ptv h ILE 19 CO 0.01 0.01 -0.27 0.22 -0.69 0.00 0.00 178.15 177.43 1ptv h TYR 20 N 0.06 0.77 -0.57 1.37 3.20 -1.25 -2.27 116.97 118.29 1ptv h TYR 20 Ca 0.27 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1ptv h TYR 20 Cb 0.41 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1ptv h TYR 20 CO -0.38 0.87 0.14 1.96 -1.64 0.00 0.00 178.16 179.11 1ptv h GLN 21 N 0.59 0.87 -0.61 1.82 4.20 -0.44 -2.13 115.11 119.42 1ptv h GLN 21 Ca 0.08 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1ptv h GLN 21 Cb 0.76 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1ptv h GLN 21 CO 0.06 0.78 0.24 -0.44 -0.67 0.00 0.00 178.83 178.80 1ptv h ASP 22 N 0.84 0.84 -0.16 1.46 3.32 -0.56 -0.03 116.42 122.13 1ptv h ASP 22 Ca 0.18 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ptv h ASP 22 Cb 0.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1ptv h ASP 22 CO -0.00 0.78 0.09 0.40 -1.72 0.00 0.00 179.24 178.79 1ptv h ILE 23 N 0.84 1.10 -0.87 0.35 2.04 -1.22 0.11 117.51 119.86 1ptv h ILE 23 Ca 0.20 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1ptv h ILE 23 Cb 0.21 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1ptv h ILE 23 CO -0.02 0.10 0.53 0.03 0.00 0.00 0.00 178.15 178.79 1ptv h ARG 24 N 0.16 0.91 -0.02 2.37 3.08 -1.18 0.92 114.38 120.61 1ptv h ARG 24 Ca 0.06 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1ptv h ARG 24 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1ptv h ARG 24 CO -0.01 0.60 -0.75 0.45 -1.07 0.00 0.00 179.97 179.20 1ptv h HIS 25 N 0.94 0.24 0.00 3.04 3.86 -0.25 -3.16 115.15 119.81 1ptv h HIS 25 Ca 0.40 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1ptv h HIS 25 Cb 0.25 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1ptv h HIS 25 CO -0.04 0.85 -0.46 0.39 0.86 0.00 0.00 177.93 179.53 1ptv n GLU 26 N -3.74 0.21 -1.68 2.45 1.02 0.30 -4.96 120.64 114.25 1ptv n GLU 26 Ca -0.03 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1ptv n GLU 26 Cb 0.72 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1ptv n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ptv n ALA 27 N -1.74 1.01 -0.97 0.62 0.00 0.26 -4.94 120.51 114.75 1ptv n ALA 27 Ca 0.04 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 1ptv n ALA 27 Cb 0.41 -2.22 0.12 0.00 0.00 0.00 0.00 19.45 17.77 1ptv n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ptv n SER 28 N 0.55 -0.52 -3.52 0.00 7.64 -1.26 -5.02 113.62 111.50 1ptv n SER 28 Ca 0.06 0.48 -0.23 0.00 1.01 0.00 0.00 58.87 60.20 1ptv n SER 28 Cb 0.37 -1.35 -0.14 0.00 -1.01 0.00 0.00 64.21 62.09 1ptv n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ptv s ASP 29 N -2.04 2.23 0.26 6.43 2.15 -1.26 -4.93 116.67 119.51 1ptv s ASP 29 Ca 0.66 -0.69 0.11 0.00 0.43 0.00 0.00 52.55 53.05 1ptv s ASP 29 Cb -0.27 0.06 -0.05 0.00 -0.30 0.00 0.00 42.92 42.37 1ptv s ASP 29 CO 0.59 -0.37 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.72 1ptv s PHE 30 N 2.23 2.45 0.68 -5.34 0.08 -1.26 -5.11 117.98 111.70 1ptv s PHE 30 Ca 0.07 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.68 1ptv s PHE 30 Cb -0.16 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 1ptv s PHE 30 CO -0.22 0.66 1.12 -1.25 -0.10 0.00 0.00 175.22 175.43 1ptv s PRO 31 N -3.45 2.68 -0.40 0.24 0.04 -1.26 -4.85 135.00 128.00 1ptv s PRO 31 Ca 0.29 1.40 0.11 0.00 0.04 0.00 0.00 61.00 62.85 1ptv s PRO 31 Cb -0.06 -1.93 0.41 0.00 0.04 0.00 0.00 34.50 32.96 1ptv s PRO 31 CO 0.16 -1.34 0.97 0.00 0.04 0.00 0.00 177.00 176.83 1ptv h ARG 33 N 2.86 -0.51 -0.73 0.00 -0.00 -1.93 -2.70 114.38 111.37 1ptv h ARG 33 Ca 0.09 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.63 1ptv h ARG 33 Cb 0.97 0.12 -0.04 0.00 0.00 0.00 0.00 29.97 31.01 1ptv h ARG 33 CO 0.66 -0.34 0.47 0.28 0.00 0.00 0.00 179.97 181.04 1ptv h VAL 34 N -0.53 1.14 -0.57 2.04 2.07 -1.92 -2.31 116.25 116.18 1ptv h VAL 34 Ca 0.04 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1ptv h VAL 34 Cb 0.58 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1ptv h VAL 34 CO -0.22 0.17 0.38 0.00 0.02 0.00 0.00 177.57 177.92 1ptv h ALA 35 N 1.29 1.83 -0.01 1.67 0.00 -1.81 -0.86 119.26 121.37 1ptv h ALA 35 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ptv h ALA 35 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ptv h ALA 35 CO -0.09 0.08 -0.02 1.63 0.00 0.00 0.00 179.25 180.85 1ptv n LYS 36 N -4.47 1.35 -2.06 0.00 4.76 -0.91 -4.60 118.16 112.23 1ptv n LYS 36 Ca 0.08 -0.60 -0.41 0.00 -2.87 0.00 0.00 58.31 54.51 1ptv n LYS 36 Cb 0.23 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1ptv n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ptv s LEU 37 N -2.07 4.41 0.50 -0.35 1.02 -0.33 -4.90 118.68 116.95 1ptv s LEU 37 Ca 0.39 2.75 0.22 0.00 0.02 0.00 0.00 54.13 57.51 1ptv s LEU 37 Cb 0.21 -3.65 1.28 0.00 0.02 0.00 0.00 46.19 44.05 1ptv s LEU 37 CO 0.37 -0.60 1.98 -0.65 0.02 0.00 0.00 176.35 177.46 1ptv h PRO 38 N 3.45 0.13 0.00 1.29 0.11 -1.91 0.38 132.00 135.45 1ptv h PRO 38 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ptv h PRO 38 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ptv h PRO 38 CO 0.66 0.09 0.00 0.36 -0.21 0.00 0.00 178.00 178.90 1ptv n LYS 39 N -4.41 0.10 -0.09 1.05 2.85 -1.26 -2.99 118.16 113.41 1ptv n LYS 39 Ca 0.11 0.32 0.08 0.00 -1.05 0.00 0.00 58.31 57.77 1ptv n LYS 39 Cb 0.56 -1.69 0.13 0.00 -0.65 0.00 0.00 35.03 33.39 1ptv n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ptv n ASN 40 N -1.87 2.76 -0.19 -5.58 3.02 0.12 -4.66 115.26 108.86 1ptv n ASN 40 Ca 0.03 -1.81 -0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1ptv n ASN 40 Cb 0.21 -0.12 0.10 0.00 -0.61 0.00 0.00 39.78 39.36 1ptv n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ptv h LYS 41 N 3.23 0.24 -0.07 3.52 3.64 -1.56 0.19 116.57 125.75 1ptv h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ptv h LYS 41 Cb 0.76 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ptv h LYS 41 CO 0.00 0.16 0.00 0.27 -2.27 0.00 0.00 179.45 177.61 1ptv n ASN 42 N -5.13 0.07 -0.53 4.20 0.23 -1.26 -2.22 115.26 110.62 1ptv n ASN 42 Ca 0.08 -1.98 0.07 0.00 -0.53 0.00 0.00 54.58 52.23 1ptv n ASN 42 Cb 0.30 -0.04 0.05 0.00 -2.08 0.00 0.00 39.78 38.01 1ptv n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ptv n ARG 43 N -0.46 1.31 -4.86 -3.83 1.74 0.05 -4.90 116.66 105.71 1ptv n ARG 43 Ca 0.00 -1.23 -0.33 0.00 -0.77 0.00 0.00 57.85 55.52 1ptv n ARG 43 Cb 0.02 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 1ptv n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1ptv s ASN 44 N -1.41 3.85 0.04 0.55 0.01 -0.94 -4.42 114.94 112.62 1ptv s ASN 44 Ca 0.16 -0.36 -0.17 0.00 -0.71 0.00 0.00 52.86 51.78 1ptv s ASN 44 Cb 0.12 -1.55 -0.21 0.00 0.41 0.00 0.00 41.25 40.03 1ptv s ASN 44 CO 0.24 0.17 1.18 -0.09 -1.51 0.00 0.00 177.10 177.09 1ptv h ARG 45 N 6.65 0.54 -5.08 -0.60 2.43 -1.88 -3.44 114.38 113.00 1ptv h ARG 45 Ca -0.25 -0.52 -0.62 0.00 -0.81 0.00 0.00 59.98 57.78 1ptv h ARG 45 Cb 1.22 0.13 -0.33 0.00 -0.42 0.00 0.00 29.97 30.57 1ptv h ARG 45 CO 0.54 1.15 -0.85 0.71 -1.51 0.00 0.00 179.97 180.00 1ptv s TYR 46 N -3.44 2.12 0.41 2.20 2.02 -1.26 -5.02 117.35 114.38 1ptv s TYR 46 Ca -0.12 -0.83 0.10 0.00 -0.37 0.00 0.00 57.07 55.85 1ptv s TYR 46 Cb 0.05 -1.45 0.91 0.00 -0.40 0.00 0.00 41.96 41.07 1ptv s TYR 46 CO 0.85 -0.35 2.00 -0.09 -1.57 0.00 0.00 175.55 176.39 1ptv h ARG 47 N 6.76 0.53 -0.31 -0.62 2.43 -1.97 -2.24 114.38 118.94 1ptv h ARG 47 Ca -0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1ptv h ARG 47 Cb 1.22 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ptv h ARG 47 CO 0.47 0.35 0.00 -0.40 -1.51 0.00 0.00 179.97 178.88 1ptv n ASP 48 N -4.48 2.62 -3.92 -3.80 5.75 -1.26 -4.78 116.55 106.69 1ptv n ASP 48 Ca 0.08 -1.88 -0.30 0.00 -0.01 0.00 0.00 54.79 52.68 1ptv n ASP 48 Cb 0.25 -0.20 -0.16 0.00 -1.03 0.00 0.00 41.12 39.98 1ptv n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ptv s VAL 49 N -1.59 1.47 0.10 2.12 1.01 -0.84 -5.06 120.40 117.60 1ptv s VAL 49 Ca 0.35 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ptv s VAL 49 Cb 0.20 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1ptv s VAL 49 CO 0.28 -0.18 -0.07 -0.44 0.00 0.00 0.00 175.10 174.69 1ptv s SER 50 N 1.41 1.16 0.07 3.32 0.01 -1.26 -4.63 113.70 113.78 1ptv s SER 50 Ca -0.03 -0.95 -0.24 0.00 1.31 0.00 0.00 55.95 56.04 1ptv s SER 50 Cb -0.19 0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.06 1ptv s SER 50 CO -0.08 -0.42 0.72 -2.16 0.41 0.00 0.00 173.24 171.71 1ptv s PRO 51 N -3.55 4.45 0.59 12.44 0.04 -1.26 -4.50 135.00 143.21 1ptv s PRO 51 Ca 0.10 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1ptv s PRO 51 Cb 0.03 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1ptv s PRO 51 CO -0.04 0.41 1.15 -0.06 0.04 0.00 0.00 177.00 178.50 1ptv s PHE 52 N -0.47 2.56 0.24 0.56 0.08 -1.26 -4.56 117.98 115.13 1ptv s PHE 52 Ca 0.36 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.90 1ptv s PHE 52 Cb -0.21 -3.33 0.27 0.00 -0.57 0.00 0.00 43.02 39.18 1ptv s PHE 52 CO 0.22 -1.81 1.81 -0.44 -0.10 0.00 0.00 175.22 174.90 1ptv h ASP 53 N 0.83 0.98 -0.32 1.36 3.32 -1.40 -1.89 116.42 119.31 1ptv h ASP 53 Ca -0.49 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.39 1ptv h ASP 53 Cb 1.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1ptv h ASP 53 CO 0.56 0.88 0.15 1.12 -1.72 0.00 0.00 179.24 180.22 1ptv h HIS 54 N 1.03 0.51 -0.12 4.55 2.07 -1.91 -3.18 115.15 118.10 1ptv h HIS 54 Ca 0.24 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1ptv h HIS 54 Cb 0.22 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.04 1ptv h HIS 54 CO 0.02 0.41 0.00 -1.13 -3.07 0.00 0.00 177.93 174.16 1ptv n SER 55 N -4.39 2.22 -4.73 3.10 3.41 -1.16 -5.04 113.62 107.04 1ptv n SER 55 Ca 0.02 -1.63 -0.35 0.00 -0.26 0.00 0.00 58.87 56.66 1ptv n SER 55 Cb 0.14 -0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1ptv n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ptv s ARG 56 N -0.94 2.27 -0.14 4.33 1.70 -0.72 -1.08 118.95 124.38 1ptv s ARG 56 Ca 0.16 1.80 -0.18 0.00 -0.47 0.00 0.00 55.73 57.04 1ptv s ARG 56 Cb 0.10 -1.84 -0.04 0.00 -0.57 0.00 0.00 34.95 32.60 1ptv s ARG 56 CO 0.14 -1.74 0.49 0.42 -1.08 0.00 0.00 175.30 173.52 1ptv s ILE 57 N -1.87 5.17 -0.20 4.99 -1.09 -0.69 -4.75 121.20 122.76 1ptv s ILE 57 Ca 0.76 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 60.00 1ptv s ILE 57 Cb -0.30 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1ptv s ILE 57 CO 0.43 0.29 0.23 -0.54 -1.23 0.00 0.00 174.94 174.12 1ptv s LYS 58 N 0.89 4.18 0.38 2.79 1.02 -1.26 -4.16 119.74 123.58 1ptv s LYS 58 Ca 0.25 -0.07 -0.24 0.00 0.02 0.00 0.00 55.97 55.93 1ptv s LYS 58 Cb -0.15 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.59 1ptv s LYS 58 CO 0.10 0.16 1.02 -0.51 -0.92 0.00 0.00 175.35 175.21 1ptv s LEU 59 N 0.73 4.18 -0.34 3.17 1.43 0.42 -4.93 118.68 123.33 1ptv s LEU 59 Ca 0.12 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 1ptv s LEU 59 Cb -0.13 -4.16 0.16 0.00 0.03 0.00 0.00 46.19 42.09 1ptv s LEU 59 CO 0.03 -0.38 2.28 1.41 0.23 0.00 0.00 176.35 179.92 1ptv n HIS 60 N 0.06 1.50 -4.50 0.29 8.25 -1.26 -4.53 115.22 115.03 1ptv n HIS 60 Ca 0.04 -1.94 -0.32 0.00 -0.26 0.00 0.00 57.72 55.24 1ptv n HIS 60 Cb 0.50 -1.09 -0.11 0.00 1.12 0.00 0.00 29.99 30.41 1ptv n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1ptv s GLN 61 N -1.69 2.55 -0.13 -0.41 -2.07 -1.26 -4.99 119.66 111.66 1ptv s GLN 61 Ca 0.40 -0.71 0.02 0.00 -1.82 0.00 0.00 55.36 53.25 1ptv s GLN 61 Cb 0.28 -2.49 0.23 0.00 -1.09 0.00 0.00 33.01 29.94 1ptv s GLN 61 CO -0.06 0.61 1.19 0.39 -1.32 0.00 0.00 175.29 176.09 1ptv n GLU 62 N 1.67 1.66 -0.00 9.60 1.02 -1.26 -4.21 120.64 129.11 1ptv n GLU 62 Ca -0.16 -1.00 -0.01 0.00 -0.02 0.00 0.00 57.16 55.98 1ptv n GLU 62 Cb 0.53 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1ptv n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ptv n ASP 63 N 0.03 0.21 -3.34 1.62 2.03 -1.26 -5.00 116.55 110.84 1ptv n ASP 63 Ca 0.17 0.03 -0.08 0.00 0.52 0.00 0.00 54.79 55.42 1ptv n ASP 63 Cb 0.79 -0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1ptv n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ptv s ASN 64 N -4.76 0.16 0.00 1.67 3.84 -1.26 -5.04 114.94 109.55 1ptv s ASN 64 Ca -0.02 0.27 0.02 0.00 0.21 0.00 0.00 52.86 53.34 1ptv s ASN 64 Cb 0.00 1.17 0.11 0.00 -0.55 0.00 0.00 41.25 41.98 1ptv s ASN 64 CO 0.03 -0.30 1.07 -0.90 -2.79 0.00 0.00 177.10 174.21 1ptv n ASP 65 N 5.37 0.05 -4.75 -4.21 5.68 -1.26 -4.80 116.55 112.63 1ptv n ASP 65 Ca -0.04 -1.95 -0.39 0.00 -0.50 0.00 0.00 54.79 51.91 1ptv n ASP 65 Cb 0.50 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1ptv n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ptv s TYR 66 N -1.99 3.71 -0.08 2.11 5.04 -1.26 -0.44 117.35 124.45 1ptv s TYR 66 Ca 0.03 1.37 -0.06 0.00 -2.44 0.00 0.00 57.07 55.97 1ptv s TYR 66 Cb 0.02 -2.74 0.03 0.00 0.35 0.00 0.00 41.96 39.61 1ptv s TYR 66 CO 0.02 0.30 0.20 -1.50 -1.34 0.00 0.00 175.55 173.23 1ptv s ILE 67 N -0.08 -0.01 -1.07 3.14 2.07 -1.26 -4.92 121.20 119.06 1ptv s ILE 67 Ca 0.36 0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.41 1ptv s ILE 67 Cb -0.20 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 1ptv s ILE 67 CO 0.21 0.02 1.76 0.21 -1.91 0.00 0.00 174.94 175.22 1ptv s ASN 68 N 0.39 5.85 -0.03 4.50 3.84 -1.26 -4.59 114.94 123.64 1ptv s ASN 68 Ca -0.02 -1.45 -0.24 0.00 0.21 0.00 0.00 52.86 51.35 1ptv s ASN 68 Cb -0.04 -2.57 0.05 0.00 -0.55 0.00 0.00 41.25 38.14 1ptv s ASN 68 CO -0.02 -2.14 0.52 0.00 -2.79 0.00 0.00 177.10 172.67 1ptv s ALA 69 N 7.63 -1.35 0.01 1.71 0.00 -1.26 -2.82 121.76 125.68 1ptv s ALA 69 Ca 0.59 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1ptv s ALA 69 Cb -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1ptv s ALA 69 CO 0.01 -0.34 -0.07 -1.12 0.00 0.00 0.00 175.76 174.25 1ptv s SER 70 N -1.30 0.76 -0.35 0.00 0.01 0.72 -1.70 113.70 111.84 1ptv s SER 70 Ca -0.12 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 56.72 1ptv s SER 70 Cb -0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1ptv s SER 70 CO 0.07 -0.03 0.34 -0.22 0.41 0.00 0.00 173.24 173.80 1ptv s LEU 71 N -0.70 4.52 -0.55 2.44 2.96 -0.24 -0.57 118.68 126.54 1ptv s LEU 71 Ca -0.02 -0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 53.35 1ptv s LEU 71 Cb -0.05 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.42 1ptv s LEU 71 CO 0.00 -0.34 0.72 -0.63 -1.32 0.00 0.00 176.35 174.79 1ptv s ILE 72 N 1.94 4.74 -0.48 6.68 -1.09 0.71 -4.88 121.20 128.81 1ptv s ILE 72 Ca 0.10 -0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 57.89 1ptv s ILE 72 Cb -0.17 -4.42 0.11 0.00 -1.58 0.00 0.00 42.46 36.40 1ptv s ILE 72 CO 0.11 -1.00 0.39 -0.75 -1.23 0.00 0.00 174.94 172.46 1ptv s LYS 73 N 2.98 2.70 -0.76 2.79 2.20 -1.26 -1.75 119.74 126.64 1ptv s LYS 73 Ca 0.17 -1.66 -0.21 0.00 -0.36 0.00 0.00 55.97 53.91 1ptv s LYS 73 Cb -0.19 -4.04 0.09 0.00 -1.51 0.00 0.00 37.83 32.18 1ptv s LYS 73 CO 0.11 -1.18 1.02 -1.64 -0.36 0.00 0.00 175.35 173.30 1ptv s MET 74 N 1.47 3.29 0.08 4.03 -1.94 -0.62 -4.93 119.30 120.68 1ptv s MET 74 Ca 0.04 -1.20 -0.32 0.00 -1.71 0.00 0.00 55.69 52.51 1ptv s MET 74 Cb -0.27 -4.50 -0.15 0.00 2.01 0.00 0.00 34.83 31.92 1ptv s MET 74 CO 0.02 -1.80 1.50 1.49 -0.01 0.00 0.00 175.02 176.22 1ptv h GLU 75 N 9.30 -0.82 -0.66 2.03 4.81 -1.95 0.15 114.58 127.44 1ptv h GLU 75 Ca -0.12 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ptv h GLU 75 Cb 1.05 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1ptv h GLU 75 CO 1.16 -0.54 0.37 1.49 -0.73 0.00 0.00 179.01 180.76 1ptv h GLU 76 N -0.85 0.91 0.00 1.92 4.81 -1.97 -2.19 114.58 117.22 1ptv h GLU 76 Ca -0.04 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ptv h GLU 76 Cb 0.76 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1ptv h GLU 76 CO -0.11 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1ptv h ALA 77 N 1.19 1.00 -5.63 2.92 0.00 -1.93 -3.47 119.26 113.34 1ptv h ALA 77 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.80 1ptv h ALA 77 Cb 0.02 0.00 0.15 0.00 0.00 0.00 0.00 17.79 17.96 1ptv h ALA 77 CO -0.04 0.00 -0.72 1.04 0.00 0.00 0.00 179.25 179.53 1ptv n GLN 78 N -2.48 -6.98 -3.80 0.00 1.13 0.51 -4.90 117.38 100.86 1ptv n GLN 78 Ca 0.04 0.82 -0.13 0.00 -1.94 0.00 0.00 57.00 55.79 1ptv n GLN 78 Cb 0.38 -5.80 -0.13 0.00 0.11 0.00 0.00 30.24 24.81 1ptv n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1ptv s ARG 79 N -5.69 0.18 0.20 -1.09 3.52 -1.02 -4.99 118.95 110.06 1ptv s ARG 79 Ca 0.22 0.27 0.10 0.00 -0.13 0.00 0.00 55.73 56.19 1ptv s ARG 79 Cb -0.10 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 1ptv s ARG 79 CO 0.71 -0.06 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.90 1ptv s SER 80 N 0.34 4.04 0.04 -2.12 0.01 -1.26 -1.59 113.70 113.17 1ptv s SER 80 Ca -0.02 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 1ptv s SER 80 Cb -0.03 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 1ptv s SER 80 CO -0.01 0.09 0.14 -0.31 0.41 0.00 0.00 173.24 173.56 1ptv s TYR 81 N -1.86 0.13 -0.26 2.43 1.51 -0.72 -4.13 117.35 114.45 1ptv s TYR 81 Ca 0.25 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1ptv s TYR 81 Cb -0.08 -0.09 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 1ptv s TYR 81 CO 0.15 -0.39 0.00 0.42 -1.11 0.00 0.00 175.55 174.62 1ptv s ILE 82 N -2.58 3.44 -0.11 2.71 1.01 -0.16 -0.21 121.20 125.30 1ptv s ILE 82 Ca -0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1ptv s ILE 82 Cb -0.01 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1ptv s ILE 82 CO -0.04 0.18 0.24 -0.76 0.00 0.00 0.00 174.94 174.56 1ptv s LEU 83 N 1.43 4.36 0.08 2.97 1.43 0.26 -0.31 118.68 128.90 1ptv s LEU 83 Ca 0.02 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1ptv s LEU 83 Cb -0.16 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1ptv s LEU 83 CO -0.01 0.30 0.13 0.28 0.23 0.00 0.00 176.35 177.28 1ptv s THR 84 N -0.60 0.16 0.91 5.49 -1.32 -0.94 -0.20 115.64 119.15 1ptv s THR 84 Ca 0.17 -1.37 -0.13 0.00 -1.21 0.00 0.00 61.69 59.15 1ptv s THR 84 Cb -0.13 -1.40 0.14 0.00 -1.51 0.00 0.00 72.50 69.60 1ptv s THR 84 CO 0.06 -0.75 1.17 0.00 -2.21 0.00 0.00 174.62 172.89 1ptv s GLN 85 N -3.88 1.14 -0.07 7.08 -2.07 -1.13 -3.61 119.66 117.13 1ptv s GLN 85 Ca 0.06 0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.42 1ptv s GLN 85 Cb 0.06 -1.85 -0.04 0.00 -1.09 0.00 0.00 33.01 30.08 1ptv s GLN 85 CO -0.11 -2.16 1.45 0.20 -1.32 0.00 0.00 175.29 173.35 1ptv s GLY 86 N -4.30 1.69 0.34 2.60 0.00 0.96 -4.81 107.32 103.80 1ptv s GLY 86 Ca 0.65 0.77 -0.26 0.00 0.00 0.00 0.00 44.72 45.89 1ptv s GLY 86 CO 0.52 2.69 0.80 -1.05 0.00 0.00 0.00 173.10 176.06 1ptv n PRO 87 N 6.33 0.93 -2.87 2.90 -0.02 -1.26 -4.67 135.00 136.33 1ptv n PRO 87 Ca 0.15 0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1ptv n PRO 87 Cb 0.44 -1.65 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 1ptv n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ptv s LEU 88 N 1.05 3.50 0.53 2.45 1.43 -1.26 -0.82 118.68 125.57 1ptv s LEU 88 Ca 0.61 -0.11 0.21 0.00 -1.03 0.00 0.00 54.13 53.82 1ptv s LEU 88 Cb -0.68 -2.83 1.43 0.00 0.03 0.00 0.00 46.19 44.14 1ptv s LEU 88 CO 0.58 -0.91 2.15 -0.65 0.23 0.00 0.00 176.35 177.76 1ptv h PRO 89 N 0.36 0.00 -0.02 1.29 0.11 -1.96 -0.54 132.00 131.24 1ptv h PRO 89 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ptv h PRO 89 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ptv h PRO 89 CO 0.51 0.04 -0.03 0.27 -0.21 0.00 0.00 178.00 178.58 1ptv n ASN 90 N -4.18 1.94 -0.19 -2.05 6.94 -1.26 -4.17 115.26 112.28 1ptv n ASN 90 Ca -0.03 -1.61 0.02 0.00 -0.02 0.00 0.00 54.58 52.94 1ptv n ASN 90 Cb 0.13 0.02 0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1ptv n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1ptv n THR 91 N 0.47 0.93 0.04 5.53 -2.24 -0.23 -4.65 114.28 114.13 1ptv n THR 91 Ca 0.17 -0.97 -0.04 0.00 -2.27 0.00 0.00 64.05 60.94 1ptv n THR 91 Cb 0.43 0.54 0.17 0.00 -2.10 0.00 0.00 70.33 69.37 1ptv n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ptv h GLY 93 N 1.11 0.98 0.96 0.00 0.00 -1.88 -2.19 103.07 102.05 1ptv h GLY 93 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 47.33 46.57 1ptv h GLY 93 CO 0.07 0.74 0.12 0.45 0.00 0.00 0.00 176.54 177.92 1ptv h HIS 94 N 0.75 0.23 -0.31 5.60 -0.00 -1.78 0.26 115.15 119.89 1ptv h HIS 94 Ca 0.12 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.55 1ptv h HIS 94 Cb 0.66 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.95 1ptv h HIS 94 CO 0.05 0.14 0.01 0.35 -0.00 0.00 0.00 177.93 178.47 1ptv h PHE 95 N 0.25 -0.00 0.00 2.45 3.04 -0.94 0.27 116.94 122.01 1ptv h PHE 95 Ca 0.08 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1ptv h PHE 95 Cb -0.01 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1ptv h PHE 95 CO -0.08 -0.04 -0.53 -1.49 -2.02 0.00 0.00 178.31 174.15 1ptv h TRP 96 N 0.10 0.00 -0.30 0.41 4.06 -1.21 -2.06 115.95 116.96 1ptv h TRP 96 Ca 0.15 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 1ptv h TRP 96 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1ptv h TRP 96 CO -0.22 0.53 0.07 1.49 -3.56 0.00 0.00 178.44 176.75 1ptv h GLU 97 N 0.00 0.48 -0.28 0.49 4.81 0.47 -1.38 114.58 119.16 1ptv h GLU 97 Ca -0.01 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1ptv h GLU 97 Cb 1.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1ptv h GLU 97 CO 0.07 0.55 0.11 1.98 -0.73 0.00 0.00 179.01 180.99 1ptv h MET 98 N 0.32 0.23 -0.57 1.92 4.05 -0.32 0.11 114.93 120.67 1ptv h MET 98 Ca 0.09 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1ptv h MET 98 Cb 0.29 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 1ptv h MET 98 CO 0.00 0.15 0.29 0.28 0.23 0.00 0.00 176.91 177.86 1ptv h VAL 99 N 0.24 0.93 0.30 -5.77 2.07 -1.20 0.17 116.25 112.99 1ptv h VAL 99 Ca 0.12 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1ptv h VAL 99 Cb 0.08 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ptv h VAL 99 CO -0.12 0.10 -0.14 -0.25 0.02 0.00 0.00 177.57 177.18 1ptv h TRP 100 N 0.54 -0.37 -0.62 1.57 2.91 -0.61 -2.35 115.95 117.03 1ptv h TRP 100 Ca 0.26 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.30 1ptv h TRP 100 Cb 0.18 0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 1ptv h TRP 100 CO -0.10 -0.08 0.38 0.93 -1.03 0.00 0.00 178.44 178.53 1ptv h GLU 101 N -0.65 0.72 0.00 2.65 5.08 -0.49 -1.34 114.58 120.55 1ptv h GLU 101 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ptv h GLU 101 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ptv h GLU 101 CO 0.07 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.59 1ptv n GLN 102 N -4.73 0.33 -2.33 2.33 1.13 0.56 -4.93 117.38 109.75 1ptv n GLN 102 Ca 0.06 0.04 -0.15 0.00 -1.94 0.00 0.00 57.00 55.01 1ptv n GLN 102 Cb 0.09 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 1ptv n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ptv n LYS 103 N -1.31 -1.42 -2.21 -1.09 5.02 -0.51 -4.11 118.16 112.54 1ptv n LYS 103 Ca 0.12 0.72 -0.38 0.00 -2.02 0.00 0.00 58.31 56.75 1ptv n LYS 103 Cb 0.22 -5.04 -0.01 0.00 -0.02 0.00 0.00 35.03 30.18 1ptv n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ptv s SER 104 N -2.37 6.22 -0.04 4.39 0.01 -0.98 -0.17 113.70 120.75 1ptv s SER 104 Ca 0.02 2.39 0.15 0.00 1.31 0.00 0.00 55.95 59.82 1ptv s SER 104 Cb -0.01 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.38 1ptv s SER 104 CO 0.03 -0.89 0.29 -1.14 0.41 0.00 0.00 173.24 171.94 1ptv n ARG 105 N -0.30 0.65 -4.05 12.44 0.00 -1.26 -4.88 116.66 119.25 1ptv n ARG 105 Ca 0.06 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.85 57.72 1ptv n ARG 105 Cb 0.47 -1.36 -0.10 0.00 0.00 0.00 0.00 32.46 31.46 1ptv n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ptv s GLY 106 N -3.91 0.39 -0.07 5.14 0.00 -1.26 -1.69 107.32 105.92 1ptv s GLY 106 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1ptv s GLY 106 CO 0.63 -1.08 -0.06 0.14 0.00 0.00 0.00 173.10 172.73 1ptv s VAL 107 N -3.03 0.72 -0.30 1.40 1.01 -0.05 -2.11 120.40 118.04 1ptv s VAL 107 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1ptv s VAL 107 Cb 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1ptv s VAL 107 CO -0.07 0.29 0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1ptv s VAL 108 N 1.25 4.21 -0.24 2.92 1.01 0.26 -1.39 120.40 128.43 1ptv s VAL 108 Ca -0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1ptv s VAL 108 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1ptv s VAL 108 CO -0.02 0.07 0.05 -0.32 0.00 0.00 0.00 175.10 174.88 1ptv s MET 109 N 1.54 3.62 -0.06 2.72 0.00 0.35 -1.20 119.30 126.27 1ptv s MET 109 Ca 0.03 -0.50 0.16 0.00 0.00 0.00 0.00 55.69 55.39 1ptv s MET 109 Cb -0.17 -3.26 0.52 0.00 0.00 0.00 0.00 34.83 31.92 1ptv s MET 109 CO 0.04 -0.17 1.44 1.28 0.00 0.00 0.00 175.02 177.61 1ptv n LEU 110 N 4.84 3.80 0.00 4.11 4.77 -0.58 -0.30 117.00 133.64 1ptv n LEU 110 Ca -0.16 -2.29 -0.16 0.00 -0.03 0.00 0.00 56.01 53.37 1ptv n LEU 110 Cb 0.51 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1ptv n LEU 110 CO 0.31 0.79 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.61 1ptv n ASN 111 N 0.73 0.34 -4.52 -1.43 0.23 -1.25 -4.62 115.26 104.74 1ptv n ASN 111 Ca 0.20 -2.51 -0.26 0.00 -0.53 0.00 0.00 54.58 51.48 1ptv n ASN 111 Cb 0.67 0.93 -0.10 0.00 -2.08 0.00 0.00 39.78 39.20 1ptv n ASN 111 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1ptv s ARG 112 N -3.01 1.88 0.20 -3.83 0.52 -1.26 -4.78 118.95 108.67 1ptv s ARG 112 Ca 0.21 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.86 1ptv s ARG 112 Cb 0.01 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.66 1ptv s ARG 112 CO 0.15 0.40 1.84 0.28 0.02 0.00 0.00 175.30 177.98 1ptv h VAL 113 N 2.66 1.08 -3.29 3.52 2.07 -1.92 -3.40 116.25 116.96 1ptv h VAL 113 Ca -0.45 -0.28 -0.66 0.00 0.82 0.00 0.00 66.70 66.13 1ptv h VAL 113 Cb 1.22 0.20 -0.29 0.00 -1.52 0.00 0.00 31.29 30.90 1ptv h VAL 113 CO 0.54 0.15 -0.77 -0.32 0.02 0.00 0.00 177.57 177.19 1ptv s MET 114 N -6.12 3.27 0.02 1.57 -2.45 -1.26 -0.43 119.30 113.90 1ptv s MET 114 Ca -0.13 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1ptv s MET 114 Cb 0.15 -2.76 -0.01 0.00 1.25 0.00 0.00 34.83 33.46 1ptv s MET 114 CO 0.76 -0.06 -0.04 -1.21 1.05 0.00 0.00 175.02 175.52 1ptv s GLU 115 N 1.04 0.32 -1.77 4.11 2.02 -0.26 -4.88 118.70 119.28 1ptv s GLU 115 Ca -0.01 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.40 1ptv s GLU 115 Cb -0.15 -0.15 0.17 0.00 0.10 0.00 0.00 34.13 34.10 1ptv s GLU 115 CO -0.02 0.03 0.57 1.63 0.02 0.00 0.00 175.26 177.48 1ptv n LYS 116 N 2.25 -1.57 -0.96 1.61 5.02 -1.26 -0.46 118.16 122.78 1ptv n LYS 116 Ca -0.18 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ptv n LYS 116 Cb 0.57 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 1ptv n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ptv n GLY 117 N -1.40 0.86 3.43 0.72 0.00 -1.26 -4.99 105.19 102.54 1ptv n GLY 117 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1ptv n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ptv s SER 118 N -2.81 3.29 -0.42 1.61 0.01 0.39 -5.10 113.70 110.67 1ptv s SER 118 Ca 0.00 -0.98 -0.25 0.00 1.31 0.00 0.00 55.95 56.03 1ptv s SER 118 Cb 0.00 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1ptv s SER 118 CO 0.00 0.01 0.88 -0.76 0.41 0.00 0.00 173.24 173.78 1ptv s LEU 119 N -3.24 4.06 0.00 2.44 1.43 -1.26 -1.10 118.68 121.01 1ptv s LEU 119 Ca 0.25 0.25 0.23 0.00 -1.03 0.00 0.00 54.13 53.83 1ptv s LEU 119 Cb -0.05 -3.15 0.07 0.00 0.03 0.00 0.00 46.19 43.09 1ptv s LEU 119 CO 0.12 -0.93 1.15 0.29 0.23 0.00 0.00 176.35 177.21 1ptv n LYS 120 N 6.88 1.69 -3.63 1.70 4.76 0.43 -4.97 118.16 125.02 1ptv n LYS 120 Ca 0.05 -1.39 -0.06 0.00 -2.87 0.00 0.00 58.31 54.04 1ptv n LYS 120 Cb 0.48 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 1ptv n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ptv s ALA 122 N -0.47 2.62 -1.13 0.00 0.00 0.00 -4.67 121.76 118.11 1ptv s ALA 122 Ca 0.05 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 1ptv s ALA 122 Cb -0.03 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.93 1ptv s ALA 122 CO -0.08 -1.11 1.54 -1.14 0.00 0.00 0.00 175.76 174.97 1ptv s GLN 123 N -4.42 3.78 0.00 0.00 2.00 -1.26 -4.80 119.66 114.96 1ptv s GLN 123 Ca 0.62 -1.60 0.27 0.00 -2.00 0.00 0.00 55.36 52.66 1ptv s GLN 123 Cb -0.16 -5.38 0.91 0.00 0.80 0.00 0.00 33.01 29.18 1ptv s GLN 123 CO 0.44 -2.17 1.66 2.48 -0.50 0.00 0.00 175.29 177.20 1ptv n TYR 124 N 8.33 0.00 -4.22 1.67 4.11 -1.26 -4.87 117.16 120.91 1ptv n TYR 124 Ca 0.39 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 58.09 1ptv n TYR 124 Cb 0.48 -0.08 -0.12 0.00 -0.00 0.00 0.00 39.34 39.62 1ptv n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1ptv s TRP 125 N -2.32 1.42 0.15 -3.48 -2.14 -1.26 -5.06 118.94 106.25 1ptv s TRP 125 Ca 0.30 -0.48 -0.31 0.00 2.66 0.00 0.00 56.10 58.27 1ptv s TRP 125 Cb 0.20 -0.77 -0.08 0.00 -3.10 0.00 0.00 33.47 29.71 1ptv s TRP 125 CO 0.45 0.12 1.36 -1.25 -2.66 0.00 0.00 176.95 174.98 1ptv s PRO 126 N -2.06 4.34 0.00 3.25 0.04 -1.26 -4.95 135.00 134.36 1ptv s PRO 126 Ca 0.03 2.08 0.26 0.00 0.04 0.00 0.00 61.00 63.42 1ptv s PRO 126 Cb -0.08 -3.22 0.77 0.00 0.04 0.00 0.00 34.50 32.00 1ptv s PRO 126 CO 0.03 -0.37 1.58 1.04 0.04 0.00 0.00 177.00 179.33 1ptv n GLN 127 N 3.37 0.30 -3.80 4.56 6.02 -1.26 -4.62 117.38 121.95 1ptv n GLN 127 Ca 0.09 -0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 1ptv n GLN 127 Cb 0.42 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 1ptv n GLN 127 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1ptv s LYS 128 N -2.81 0.51 0.42 -1.09 -2.85 -1.26 -5.07 119.74 107.59 1ptv s LYS 128 Ca 0.17 -0.09 0.13 0.00 -1.00 0.00 0.00 55.97 55.18 1ptv s LYS 128 Cb 0.18 0.22 0.90 0.00 -2.06 0.00 0.00 37.83 37.08 1ptv s LYS 128 CO 0.60 -0.12 1.94 1.05 0.10 0.00 0.00 175.35 178.92 1ptv h GLU 129 N 4.54 0.05 0.00 1.78 9.09 -1.89 -2.56 114.58 125.59 1ptv h GLU 129 Ca -0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 1ptv h GLU 129 Cb 1.19 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1ptv h GLU 129 CO 0.38 0.26 -0.04 0.93 0.05 0.00 0.00 179.01 180.59 1ptv h GLU 130 N 0.04 0.00 -2.82 1.06 3.07 -1.98 -3.36 114.58 110.59 1ptv h GLU 130 Ca 0.01 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.21 1ptv h GLU 130 Cb 0.40 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 27.93 1ptv h GLU 130 CO 0.03 0.04 -0.27 1.63 -1.40 0.00 0.00 179.01 179.04 1ptv n LYS 131 N -3.17 2.64 -0.61 2.33 5.02 -0.96 -5.11 118.16 118.30 1ptv n LYS 131 Ca 0.00 -4.56 -0.28 0.00 -2.02 0.00 0.00 58.31 51.45 1ptv n LYS 131 Cb 0.30 -2.34 0.25 0.00 -0.02 0.00 0.00 35.03 33.22 1ptv n LYS 131 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ptv s GLU 132 N -1.96 -0.97 -0.04 1.97 8.01 -1.26 -4.70 118.70 119.75 1ptv s GLU 132 Ca 0.32 0.73 0.07 0.00 0.01 0.00 0.00 54.97 56.09 1ptv s GLU 132 Cb 0.03 -1.56 -0.02 0.00 -4.31 0.00 0.00 34.13 28.27 1ptv s GLU 132 CO -0.07 -3.73 -0.24 -1.64 0.01 0.00 0.00 175.26 169.59 1ptv s MET 133 N -4.54 2.36 -0.17 1.61 -1.94 0.60 -4.96 119.30 112.26 1ptv s MET 133 Ca 0.68 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.77 1ptv s MET 133 Cb -0.24 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.49 1ptv s MET 133 CO 0.64 0.48 -0.15 0.42 -0.01 0.00 0.00 175.02 176.40 1ptv s ILE 134 N -0.41 1.71 -0.54 2.53 1.01 -1.26 -0.17 121.20 124.06 1ptv s ILE 134 Ca 0.04 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 1ptv s ILE 134 Cb -0.12 -1.62 0.07 0.00 0.01 0.00 0.00 42.46 40.80 1ptv s ILE 134 CO 0.01 0.42 0.66 -0.36 0.00 0.00 0.00 174.94 175.67 1ptv s PHE 135 N 1.42 3.02 0.08 3.97 0.08 0.34 -4.93 117.98 121.96 1ptv s PHE 135 Ca 0.04 -0.65 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 1ptv s PHE 135 Cb -0.14 -3.71 -0.12 0.00 -0.57 0.00 0.00 43.02 38.49 1ptv s PHE 135 CO -0.11 -1.14 1.65 0.93 -0.10 0.00 0.00 175.22 176.45 1ptv h GLU 136 N 9.07 0.17 -0.92 0.44 5.08 -1.97 -0.06 114.58 126.39 1ptv h GLU 136 Ca -0.28 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1ptv h GLU 136 Cb 1.09 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1ptv h GLU 136 CO 1.01 0.24 0.59 0.38 -1.00 0.00 0.00 179.01 180.23 1ptv h ASP 137 N 0.06 0.72 -0.14 1.42 2.03 -1.97 -2.20 116.42 116.34 1ptv h ASP 137 Ca 0.04 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1ptv h ASP 137 Cb 0.12 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1ptv h ASP 137 CO -0.00 0.36 0.00 0.35 -1.03 0.00 0.00 179.24 178.92 1ptv n THR 138 N -4.59 0.20 -3.51 1.15 -2.24 -1.19 -5.00 114.28 99.11 1ptv n THR 138 Ca 0.18 -0.60 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 1ptv n THR 138 Cb 0.45 1.22 0.08 0.00 -2.10 0.00 0.00 70.33 69.98 1ptv n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ptv n ASN 139 N 1.11 -2.60 -4.24 3.42 5.15 -0.07 -4.93 115.26 113.10 1ptv n ASN 139 Ca 0.13 -0.64 -0.19 0.00 -0.60 0.00 0.00 54.58 53.28 1ptv n ASN 139 Cb 0.49 -4.92 -0.11 0.00 -0.53 0.00 0.00 39.78 34.71 1ptv n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ptv s LEU 140 N -6.57 2.36 -0.02 1.20 1.43 -0.96 -1.09 118.68 115.03 1ptv s LEU 140 Ca 0.10 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1ptv s LEU 140 Cb -0.05 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 1ptv s LEU 140 CO 0.75 -0.10 -0.17 -0.75 0.23 0.00 0.00 176.35 176.31 1ptv s LYS 141 N -2.37 1.48 -0.06 1.70 2.20 -0.13 -0.50 119.74 122.06 1ptv s LYS 141 Ca 0.07 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1ptv s LYS 141 Cb -0.07 -1.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.89 1ptv s LYS 141 CO 0.03 0.32 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.09 1ptv s LEU 142 N -0.24 1.39 -0.04 5.43 2.96 0.76 -0.47 118.68 128.48 1ptv s LEU 142 Ca 0.03 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1ptv s LEU 142 Cb -0.08 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1ptv s LEU 142 CO 0.00 -0.04 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.99 1ptv s THR 143 N 0.98 1.01 -0.03 3.68 2.01 -0.45 -0.29 115.64 122.55 1ptv s THR 143 Ca -0.09 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1ptv s THR 143 Cb -0.15 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1ptv s THR 143 CO 0.00 0.31 1.13 -0.22 -0.69 0.00 0.00 174.62 175.15 1ptv s LEU 144 N 0.25 4.30 -0.25 4.42 2.96 -1.26 -0.55 118.68 128.56 1ptv s LEU 144 Ca -0.05 1.78 -0.09 0.00 -0.22 0.00 0.00 54.13 55.54 1ptv s LEU 144 Cb -0.11 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.86 1ptv s LEU 144 CO 0.01 -0.49 -0.16 -0.38 -1.32 0.00 0.00 176.35 174.02 1ptv n ILE 145 N 4.36 1.55 -3.57 6.68 2.08 0.58 -4.30 119.36 126.74 1ptv n ILE 145 Ca 0.09 -0.42 -0.06 0.00 0.56 0.00 0.00 62.75 62.92 1ptv n ILE 145 Cb 0.47 -1.74 -0.02 0.00 -0.75 0.00 0.00 39.64 37.60 1ptv n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ptv s SER 146 N -7.06 -0.28 0.00 4.38 1.04 -1.11 -4.99 113.70 105.68 1ptv s SER 146 Ca -0.35 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 1ptv s SER 146 Cb 0.11 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ptv s SER 146 CO 0.57 -0.61 0.08 -1.83 0.98 0.00 0.00 173.24 172.43 1ptv s GLU 147 N -3.03 0.38 -0.34 4.02 -1.05 -1.26 -0.72 118.70 116.71 1ptv s GLU 147 Ca 0.08 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.53 1ptv s GLU 147 Cb -0.01 0.15 0.10 0.00 -0.44 0.00 0.00 34.13 33.94 1ptv s GLU 147 CO -0.06 -0.08 0.08 0.34 0.95 0.00 0.00 175.26 176.49 1ptv s ASP 148 N -1.21 4.42 -0.10 0.83 2.15 0.12 -4.97 116.67 117.91 1ptv s ASP 148 Ca -0.13 -2.00 -0.25 0.00 0.43 0.00 0.00 52.55 50.60 1ptv s ASP 148 Cb -0.07 -1.30 -0.03 0.00 -0.30 0.00 0.00 42.92 41.21 1ptv s ASP 148 CO 0.01 -0.38 0.77 -0.63 -0.17 0.00 0.00 175.17 174.76 1ptv s ILE 149 N 1.12 4.97 0.19 4.11 1.01 -1.26 -1.46 121.20 129.88 1ptv s ILE 149 Ca 0.11 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1ptv s ILE 149 Cb -0.19 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1ptv s ILE 149 CO -0.14 0.16 0.01 0.29 0.00 0.00 0.00 174.94 175.26 1ptv n LYS 150 N 4.32 1.53 0.21 2.79 4.76 0.36 -4.99 118.16 127.14 1ptv n LYS 150 Ca 0.01 -1.35 -0.15 0.00 -2.87 0.00 0.00 58.31 53.95 1ptv n LYS 150 Cb 0.50 0.35 -0.08 0.00 -1.84 0.00 0.00 35.03 33.96 1ptv n LYS 150 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ptv h THR 151 N 1.07 0.65 -0.11 -0.18 1.35 0.16 -3.33 112.91 112.52 1ptv h THR 151 Ca -0.15 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1ptv h THR 151 Cb 0.47 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1ptv h THR 151 CO 0.25 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 1ptv n TYR 152 N -5.25 0.14 -3.53 4.73 4.11 -1.26 -4.96 117.16 111.14 1ptv n TYR 152 Ca -0.10 -0.23 -0.14 0.00 -0.00 0.00 0.00 57.90 57.42 1ptv n TYR 152 Cb 0.24 -0.02 -0.05 0.00 -0.00 0.00 0.00 39.34 39.52 1ptv n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1ptv s TYR 153 N -0.80 -0.49 -0.03 -3.48 1.13 -1.25 -0.85 117.35 111.58 1ptv s TYR 153 Ca 0.12 0.53 0.04 0.00 -1.41 0.00 0.00 57.07 56.35 1ptv s TYR 153 Cb 0.07 0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1ptv s TYR 153 CO 0.10 -0.69 -0.13 0.99 -2.51 0.00 0.00 175.55 173.30 1ptv s THR 154 N -2.61 1.13 -0.20 -3.49 2.01 -0.42 -0.49 115.64 111.57 1ptv s THR 154 Ca -0.04 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1ptv s THR 154 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1ptv s THR 154 CO -0.03 0.33 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.52 1ptv s VAL 155 N 0.07 3.68 0.06 3.82 1.01 -0.53 -0.57 120.40 127.95 1ptv s VAL 155 Ca -0.03 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1ptv s VAL 155 Cb -0.10 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ptv s VAL 155 CO 0.01 0.44 -0.12 -0.13 0.00 0.00 0.00 175.10 175.30 1ptv s ARG 156 N 1.07 2.18 -0.27 2.72 0.52 0.82 0.16 118.95 126.15 1ptv s ARG 156 Ca 0.02 -0.96 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 1ptv s ARG 156 Cb -0.15 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1ptv s ARG 156 CO 0.01 0.54 0.05 -1.14 0.02 0.00 0.00 175.30 174.77 1ptv s GLN 157 N -1.80 3.18 0.16 3.54 0.74 0.11 -0.94 119.66 124.65 1ptv s GLN 157 Ca 0.18 -0.79 0.07 0.00 0.05 0.00 0.00 55.36 54.88 1ptv s GLN 157 Cb -0.11 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 1ptv s GLN 157 CO 0.10 -0.37 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.92 1ptv s LEU 158 N 1.49 3.22 -0.17 3.68 1.43 0.76 -0.31 118.68 128.78 1ptv s LEU 158 Ca 0.03 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ptv s LEU 158 Cb -0.16 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1ptv s LEU 158 CO 0.01 0.10 -0.18 -0.70 0.23 0.00 0.00 176.35 175.82 1ptv s GLU 159 N -2.82 3.08 -0.18 1.70 2.12 0.29 -1.03 118.70 121.87 1ptv s GLU 159 Ca 0.26 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.75 1ptv s GLU 159 Cb -0.09 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1ptv s GLU 159 CO 0.17 -0.12 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.58 1ptv s LEU 160 N 1.12 3.27 -0.09 2.70 2.96 0.41 -1.34 118.68 127.71 1ptv s LEU 160 Ca 0.00 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1ptv s LEU 160 Cb -0.14 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1ptv s LEU 160 CO -0.07 0.12 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.20 1ptv s GLU 161 N 0.64 2.38 -0.67 1.98 2.12 0.38 0.20 118.70 125.73 1ptv s GLU 161 Ca -0.01 -0.64 -0.25 0.00 0.36 0.00 0.00 54.97 54.42 1ptv s GLU 161 Cb -0.14 -1.87 0.05 0.00 0.26 0.00 0.00 34.13 32.43 1ptv s GLU 161 CO 0.02 0.09 1.12 1.21 -0.54 0.00 0.00 175.26 177.16 1ptv s ASN 162 N 0.55 6.21 0.65 -1.70 3.84 0.47 -0.95 114.94 124.02 1ptv s ASN 162 Ca -0.16 -0.58 0.38 0.00 0.21 0.00 0.00 52.86 52.72 1ptv s ASN 162 Cb -0.17 -2.49 2.12 0.00 -0.55 0.00 0.00 41.25 40.16 1ptv s ASN 162 CO 0.06 -1.59 2.23 -0.07 -2.79 0.00 0.00 177.10 174.94 1ptv h LEU 163 N 12.07 0.00 -0.16 3.21 3.38 -1.39 1.05 115.31 133.48 1ptv h LEU 163 Ca -0.28 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.52 1ptv h LEU 163 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1ptv h LEU 163 CO 1.21 0.00 -0.57 0.74 0.09 0.00 0.00 178.44 179.91 1ptv h THR 164 N 0.00 1.32 -0.00 0.22 2.02 -1.89 -3.26 112.91 111.32 1ptv h THR 164 Ca 0.01 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1ptv h THR 164 Cb 0.22 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1ptv h THR 164 CO -0.00 0.56 -0.68 0.35 0.37 0.00 0.00 175.52 176.13 1ptv n THR 165 N -4.13 0.00 -1.17 3.16 -2.24 -0.95 -4.97 114.28 103.99 1ptv n THR 165 Ca -0.07 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 1ptv n THR 165 Cb 0.63 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1ptv n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ptv n GLN 166 N -1.19 -1.42 -2.22 -0.78 6.02 0.36 -4.96 117.38 113.19 1ptv n GLN 166 Ca 0.04 0.64 -0.33 0.00 -0.01 0.00 0.00 57.00 57.33 1ptv n GLN 166 Cb 0.26 -4.83 -0.00 0.00 1.02 0.00 0.00 30.24 26.69 1ptv n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ptv s GLU 167 N -2.22 3.44 0.02 -1.09 2.12 -1.20 -4.81 118.70 114.96 1ptv s GLU 167 Ca 0.00 1.33 0.03 0.00 0.36 0.00 0.00 54.97 56.68 1ptv s GLU 167 Cb 0.00 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 1ptv s GLU 167 CO 0.00 -0.73 -0.08 0.99 -0.54 0.00 0.00 175.26 174.90 1ptv s THR 168 N -2.19 0.62 0.02 -1.70 2.01 -1.26 -0.39 115.64 112.75 1ptv s THR 168 Ca 0.66 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1ptv s THR 168 Cb -0.18 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1ptv s THR 168 CO 0.30 -0.08 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.01 1ptv s ARG 169 N -0.87 0.33 -0.18 4.92 0.52 0.13 -4.98 118.95 118.82 1ptv s ARG 169 Ca -0.02 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.46 1ptv s ARG 169 Cb -0.06 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 1ptv s ARG 169 CO 0.00 -0.06 0.29 -2.00 0.02 0.00 0.00 175.30 173.55 1ptv s GLU 170 N -1.47 4.21 -0.11 3.54 2.12 -1.26 -0.44 118.70 125.29 1ptv s GLU 170 Ca -0.16 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.24 1ptv s GLU 170 Cb -0.10 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1ptv s GLU 170 CO -0.01 0.16 -0.19 0.42 -0.54 0.00 0.00 175.26 175.10 1ptv s ILE 171 N 0.72 2.51 -0.13 -3.70 -1.09 -0.20 -4.85 121.20 114.46 1ptv s ILE 171 Ca 0.15 -0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 1ptv s ILE 171 Cb -0.13 -2.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.70 1ptv s ILE 171 CO 0.04 0.55 0.19 -0.76 -1.23 0.00 0.00 174.94 173.73 1ptv s LEU 172 N 0.28 4.33 -0.25 2.97 1.43 -0.68 -0.17 118.68 126.58 1ptv s LEU 172 Ca -0.14 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1ptv s LEU 172 Cb -0.17 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 43.92 1ptv s LEU 172 CO 0.07 0.29 -0.09 -2.28 0.23 0.00 0.00 176.35 174.57 1ptv s HIS 173 N -0.44 3.17 -0.42 0.29 2.46 -0.11 -0.87 115.29 119.36 1ptv s HIS 173 Ca 0.14 -2.03 -0.11 0.00 0.47 0.00 0.00 55.06 53.54 1ptv s HIS 173 Cb -0.12 -1.98 0.06 0.00 -0.13 0.00 0.00 32.58 30.41 1ptv s HIS 173 CO 0.03 -0.83 0.27 -0.06 -2.47 0.00 0.00 174.74 171.68 1ptv s PHE 174 N 1.19 3.29 -0.38 3.88 0.08 -0.48 -0.13 117.98 125.44 1ptv s PHE 174 Ca -0.05 -1.25 -0.09 0.00 0.12 0.00 0.00 56.93 55.66 1ptv s PHE 174 Cb -0.18 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1ptv s PHE 174 CO -0.05 -0.78 0.18 -1.58 -0.10 0.00 0.00 175.22 172.89 1ptv s HIS 175 N 1.50 3.28 -0.46 0.36 2.46 0.26 -0.50 115.29 122.21 1ptv s HIS 175 Ca 0.03 -1.34 -0.25 0.00 0.47 0.00 0.00 55.06 53.96 1ptv s HIS 175 Cb -0.22 -2.55 0.03 0.00 -0.13 0.00 0.00 32.58 29.71 1ptv s HIS 175 CO 0.04 -0.75 0.92 -0.47 -2.47 0.00 0.00 174.74 172.02 1ptv s TYR 176 N 1.45 2.92 -2.70 3.88 6.14 0.59 -1.30 117.35 128.33 1ptv s TYR 176 Ca 0.01 0.39 0.24 0.00 0.64 0.00 0.00 57.07 58.35 1ptv s TYR 176 Cb -0.21 -3.96 0.41 0.00 0.42 0.00 0.00 41.96 38.62 1ptv s TYR 176 CO 0.04 -1.09 1.38 0.25 0.64 0.00 0.00 175.55 176.77 1ptv n THR 177 N 6.41 0.20 -1.73 4.34 -2.24 -0.03 -3.81 114.28 117.42 1ptv n THR 177 Ca 0.06 -0.55 0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1ptv n THR 177 Cb 0.48 1.12 0.17 0.00 -2.10 0.00 0.00 70.33 70.01 1ptv n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ptv n THR 178 N 1.21 2.03 -3.91 4.28 -2.24 -1.18 -4.91 114.28 109.57 1ptv n THR 178 Ca 0.17 -3.14 -0.35 0.00 -2.27 0.00 0.00 64.05 58.46 1ptv n THR 178 Cb 0.56 -0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.45 1ptv n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ptv s TRP 179 N -2.99 3.15 0.27 4.78 -0.11 -1.26 -4.70 118.94 118.08 1ptv s TRP 179 Ca 0.39 -1.58 -0.30 0.00 1.22 0.00 0.00 56.10 55.83 1ptv s TRP 179 Cb 0.37 -2.11 -0.11 0.00 -1.50 0.00 0.00 33.47 30.13 1ptv s TRP 179 CO -0.07 -0.73 1.55 -2.14 -4.62 0.00 0.00 176.95 170.94 1ptv s PRO 180 N 1.33 4.16 -0.00 5.86 0.02 -1.26 -4.81 135.00 140.30 1ptv s PRO 180 Ca -0.01 2.50 -0.35 0.00 0.02 0.00 0.00 61.00 63.15 1ptv s PRO 180 Cb -0.18 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.16 1ptv s PRO 180 CO -0.02 -0.58 1.71 -3.47 -0.33 0.00 0.00 177.00 174.31 1ptv n ASP 181 N 2.33 3.03 -0.60 2.53 -0.08 -1.26 0.64 116.55 123.14 1ptv n ASP 181 Ca 0.08 1.04 -0.08 0.00 -1.51 0.00 0.00 54.79 54.32 1ptv n ASP 181 Cb 0.38 -1.35 -0.03 0.00 2.34 0.00 0.00 41.12 42.46 1ptv n ASP 181 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ptv n PHE 182 N 4.96 0.00 -3.60 -0.67 3.72 -1.26 -4.98 117.46 115.63 1ptv n PHE 182 Ca 0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1ptv n PHE 182 Cb 0.26 -2.06 -0.00 0.00 -0.94 0.00 0.00 39.48 36.74 1ptv n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ptv n GLY 183 N -0.66 3.28 3.43 1.37 0.00 0.21 -4.90 105.19 107.92 1ptv n GLY 183 Ca -0.08 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.55 1ptv n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ptv s VAL 184 N -0.19 1.83 1.02 1.61 -7.23 -1.26 -4.77 120.40 111.40 1ptv s VAL 184 Ca 0.00 -2.18 -0.12 0.00 -1.81 0.00 0.00 61.98 57.87 1ptv s VAL 184 Cb -0.00 -2.39 0.20 0.00 0.56 0.00 0.00 36.38 34.75 1ptv s VAL 184 CO 0.00 -0.35 1.08 -2.84 -0.31 0.00 0.00 175.10 172.68 1ptv s PRO 185 N -3.67 0.23 0.47 4.82 0.02 -1.26 -4.54 135.00 131.07 1ptv s PRO 185 Ca 0.29 0.69 0.13 0.00 0.02 0.00 0.00 61.00 62.13 1ptv s PRO 185 Cb 0.02 -1.70 1.11 0.00 0.02 0.00 0.00 34.50 33.95 1ptv s PRO 185 CO 0.12 -2.91 2.09 0.93 -0.33 0.00 0.00 177.00 176.89 1ptv h GLU 186 N -2.03 0.24 -1.78 5.54 5.08 -1.99 -3.44 114.58 116.19 1ptv h GLU 186 Ca -0.55 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 57.97 1ptv h GLU 186 Cb 1.32 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 1ptv h GLU 186 CO 0.55 0.16 0.66 -1.54 -1.00 0.00 0.00 179.01 177.83 1ptv s SER 187 N -6.77 -0.25 0.27 1.42 1.04 -1.26 -5.00 113.70 103.14 1ptv s SER 187 Ca -0.06 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 1ptv s SER 187 Cb 0.18 0.25 0.47 0.00 0.10 0.00 0.00 66.02 67.02 1ptv s SER 187 CO 0.71 -0.39 1.84 -0.65 0.98 0.00 0.00 173.24 175.72 1ptv h PRO 188 N 2.08 0.94 -0.40 4.02 0.11 -1.94 -2.66 132.00 134.14 1ptv h PRO 188 Ca -0.15 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.99 1ptv h PRO 188 Cb 1.20 -0.21 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 1ptv h PRO 188 CO 0.27 0.62 -0.16 0.00 -0.21 0.00 0.00 178.00 178.52 1ptv h ALA 189 N 1.49 0.16 -0.48 -0.75 0.00 -1.94 0.30 119.26 118.04 1ptv h ALA 189 Ca 0.45 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.39 1ptv h ALA 189 Cb 0.38 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ptv h ALA 189 CO -0.24 -0.52 -0.17 0.77 0.00 0.00 0.00 179.25 179.09 1ptv h SER 190 N -0.08 0.96 -0.29 0.00 0.02 -1.76 0.11 113.55 112.51 1ptv h SER 190 Ca 0.20 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1ptv h SER 190 Cb 0.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ptv h SER 190 CO -0.46 1.11 -0.02 0.15 -1.14 0.00 0.00 176.83 176.48 1ptv h PHE 191 N 0.83 0.58 -0.39 3.45 3.57 -0.99 -0.91 116.94 123.09 1ptv h PHE 191 Ca 0.12 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1ptv h PHE 191 Cb 0.73 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1ptv h PHE 191 CO 0.05 0.68 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.56 1ptv h LEU 192 N 0.32 0.74 0.19 0.59 3.38 -0.36 0.11 115.31 120.27 1ptv h LEU 192 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ptv h LEU 192 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ptv h LEU 192 CO 0.02 0.92 -0.09 -1.13 0.09 0.00 0.00 178.44 178.25 1ptv h ASN 193 N 0.65 -0.23 -0.71 -0.43 -1.24 -0.69 0.11 115.58 113.05 1ptv h ASN 193 Ca 0.10 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.13 1ptv h ASN 193 Cb 0.67 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.75 1ptv h ASN 193 CO 0.05 -0.16 0.47 0.15 -1.29 0.00 0.00 177.43 176.65 1ptv h PHE 194 N -0.26 0.90 -0.49 0.67 3.57 -0.97 -1.65 116.94 118.71 1ptv h PHE 194 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ptv h PHE 194 Cb 0.20 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1ptv h PHE 194 CO -0.07 0.56 0.31 1.25 -2.23 0.00 0.00 178.31 178.13 1ptv h LEU 195 N 0.96 0.57 -1.51 0.59 6.46 -0.38 -1.79 115.31 120.21 1ptv h LEU 195 Ca 0.26 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1ptv h LEU 195 Cb -0.11 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1ptv h LEU 195 CO -0.06 0.44 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.76 1ptv h PHE 196 N 0.66 0.00 -0.37 1.25 -1.00 -0.37 -0.61 116.94 116.50 1ptv h PHE 196 Ca 0.18 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.91 1ptv h PHE 196 Cb -0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1ptv h PHE 196 CO -0.03 0.18 0.04 0.87 -1.61 0.00 0.00 178.31 177.75 1ptv h LYS 197 N 0.00 0.63 -0.40 1.51 1.79 -0.48 0.72 116.57 120.35 1ptv h LYS 197 Ca -0.00 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 1ptv h LYS 197 Cb 0.55 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1ptv h LYS 197 CO 0.02 0.71 0.09 0.28 -1.08 0.00 0.00 179.45 179.47 1ptv h VAL 198 N 0.47 1.23 -0.12 0.50 2.07 -0.80 -3.02 116.25 116.58 1ptv h VAL 198 Ca 0.11 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ptv h VAL 198 Cb 0.40 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ptv h VAL 198 CO 0.01 0.28 0.07 0.03 0.02 0.00 0.00 177.57 177.98 1ptv h ARG 199 N 0.51 0.14 0.00 1.57 3.08 -0.87 -2.46 114.38 116.36 1ptv h ARG 199 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ptv h ARG 199 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ptv h ARG 199 CO 0.00 0.10 0.00 0.39 -1.07 0.00 0.00 179.97 179.39 1ptv n GLU 200 N -5.02 0.14 0.06 0.04 1.02 0.22 -2.25 120.64 114.86 1ptv n GLU 200 Ca -0.05 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.78 1ptv n GLU 200 Cb 0.04 -1.89 0.36 0.00 -0.02 0.00 0.00 31.44 29.92 1ptv n GLU 200 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ptv n SER 201 N -2.18 0.61 0.00 1.62 3.41 -0.93 -4.91 113.62 111.24 1ptv n SER 201 Ca -0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1ptv n SER 201 Cb 0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1ptv n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ptv n GLY 202 N 1.37 1.58 0.37 5.00 0.00 -0.96 -4.93 105.19 107.62 1ptv n GLY 202 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1ptv n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ptv h SER 203 N 0.00 0.83 -0.01 1.61 0.02 -1.79 -0.36 113.55 113.85 1ptv h SER 203 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ptv h SER 203 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ptv h SER 203 CO 0.00 0.48 0.00 0.18 -1.14 0.00 0.00 176.83 176.35 1ptv n LEU 204 N -4.55 0.51 -4.78 5.07 4.77 -1.26 -4.37 117.00 112.39 1ptv n LEU 204 Ca 0.16 -0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1ptv n LEU 204 Cb 0.32 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1ptv n LEU 204 CO 0.30 0.09 0.77 -0.44 -1.33 0.00 0.00 177.39 176.78 1ptv s SER 205 N -1.95 6.26 0.41 -1.43 0.01 -0.15 -4.94 113.70 111.91 1ptv s SER 205 Ca 0.43 2.13 0.29 0.00 1.31 0.00 0.00 55.95 60.10 1ptv s SER 205 Cb 0.21 -2.58 1.28 0.00 0.21 0.00 0.00 66.02 65.13 1ptv s SER 205 CO 0.34 -0.85 1.86 1.55 0.41 0.00 0.00 173.24 176.56 1ptv h PRO 206 N 1.87 0.00 0.00 12.44 0.13 -1.92 -2.02 132.00 142.50 1ptv h PRO 206 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ptv h PRO 206 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ptv h PRO 206 CO 0.60 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 1ptv n GLU 207 N -2.62 0.02 -3.96 0.86 0.00 -1.26 -4.76 120.64 108.93 1ptv n GLU 207 Ca 0.01 0.23 -0.24 0.00 0.00 0.00 0.00 57.16 57.16 1ptv n GLU 207 Cb 0.22 -1.54 -0.05 0.00 0.00 0.00 0.00 31.44 30.07 1ptv n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ptv s HIS 208 N -3.03 2.52 1.13 -1.84 3.76 -0.76 -5.13 115.29 111.94 1ptv s HIS 208 Ca 0.08 -0.60 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 1ptv s HIS 208 Cb 0.11 -2.01 0.25 0.00 1.11 0.00 0.00 32.58 32.04 1ptv s HIS 208 CO 0.31 0.03 1.14 0.20 -0.85 0.00 0.00 174.74 175.57 1ptv s GLY 209 N -4.01 1.60 0.31 -2.22 0.00 0.76 -4.93 107.32 98.83 1ptv s GLY 209 Ca 0.42 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1ptv s GLY 209 CO 0.23 -0.06 1.35 -4.14 0.00 0.00 0.00 173.10 170.49 1ptv s PRO 210 N -5.40 4.32 0.36 2.90 0.02 -1.26 -4.49 135.00 131.45 1ptv s PRO 210 Ca 0.70 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.70 1ptv s PRO 210 Cb -0.11 -3.08 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 1ptv s PRO 210 CO 0.56 -0.27 1.37 0.54 -0.33 0.00 0.00 177.00 178.87 1ptv s VAL 211 N -0.81 2.45 -0.30 3.83 0.11 -1.26 -4.44 120.40 119.97 1ptv s VAL 211 Ca 0.52 0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 59.83 1ptv s VAL 211 Cb -0.41 -3.28 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 1ptv s VAL 211 CO 0.51 0.10 0.57 -0.69 -3.33 0.00 0.00 175.10 172.26 1ptv s VAL 212 N -1.15 4.99 -0.15 2.04 1.01 -0.90 -0.99 120.40 125.26 1ptv s VAL 212 Ca 0.51 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 1ptv s VAL 212 Cb -0.42 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1ptv s VAL 212 CO 0.56 -0.10 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1ptv s VAL 213 N 2.48 3.77 0.06 2.92 1.01 0.57 -0.57 120.40 130.64 1ptv s VAL 213 Ca 0.23 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1ptv s VAL 213 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1ptv s VAL 213 CO 0.11 0.50 0.15 -1.38 0.00 0.00 0.00 175.10 174.48 1ptv s HIS 214 N 0.35 0.18 0.00 5.22 -3.43 -0.34 -2.21 115.29 115.07 1ptv s HIS 214 Ca -0.05 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 1ptv s HIS 214 Cb -0.14 -0.10 0.00 0.00 -1.43 0.00 0.00 32.58 30.90 1ptv s HIS 214 CO 0.03 -0.47 0.00 -1.13 -2.00 0.00 0.00 174.74 171.18 1ptv n SER 215 N 0.28 0.00 -0.06 7.38 3.41 -1.25 -1.53 113.62 121.86 1ptv n SER 215 Ca -0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 1ptv n SER 215 Cb 0.61 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1ptv n SER 215 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ptv h SER 216 N 0.00 0.05 0.51 4.04 0.87 -1.89 -2.27 113.55 114.85 1ptv h SER 216 Ca 0.00 -0.99 -0.15 0.00 -1.23 0.00 0.00 61.79 59.42 1ptv h SER 216 Cb 0.00 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1ptv h SER 216 CO 0.00 1.04 -1.61 0.00 -0.53 0.00 0.00 176.83 175.73 1ptv n ALA 217 N -2.61 2.09 -1.16 6.23 0.00 -1.26 -0.03 120.51 123.78 1ptv n ALA 217 Ca -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1ptv n ALA 217 Cb 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1ptv n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptv n GLY 218 N 1.40 0.74 0.00 0.00 0.00 -1.24 -3.87 105.19 102.22 1ptv n GLY 218 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ptv n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ptv n ILE 219 N -2.97 0.00 0.00 -0.61 -5.35 -1.26 -4.40 119.36 104.77 1ptv n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ptv n ILE 219 Cb 0.22 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1ptv n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ptv n GLY 220 N 0.88 0.14 0.32 3.28 0.00 -1.26 -0.92 105.19 107.63 1ptv n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ptv n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ptv h ARG 221 N 0.00 1.01 0.10 1.61 3.08 -1.94 -2.52 114.38 115.72 1ptv h ARG 221 Ca 0.00 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.84 1ptv h ARG 221 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1ptv h ARG 221 CO 0.00 0.89 -0.15 0.77 -1.07 0.00 0.00 179.97 180.40 1ptv h SER 222 N 0.96 -0.42 -0.75 7.04 0.02 -1.86 -0.98 113.55 117.56 1ptv h SER 222 Ca 0.21 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1ptv h SER 222 Cb 0.33 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1ptv h SER 222 CO -0.00 -0.22 0.42 1.23 -1.14 0.00 0.00 176.83 177.12 1ptv h GLY 223 N -0.31 1.13 0.83 -3.77 0.00 -1.33 -1.98 103.07 97.65 1ptv h GLY 223 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1ptv h GLY 223 CO -0.08 0.14 -0.07 -0.84 0.00 0.00 0.00 176.54 175.70 1ptv h THR 224 N 0.74 0.82 -0.00 4.70 2.02 -1.13 0.28 112.91 120.34 1ptv h THR 224 Ca 0.35 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.56 1ptv h THR 224 Cb 0.27 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1ptv h THR 224 CO -0.22 0.00 -0.19 0.15 0.37 0.00 0.00 175.52 175.63 1ptv h PHE 225 N -0.13 -0.50 -0.63 3.16 3.57 -1.03 -2.44 116.94 118.95 1ptv h PHE 225 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1ptv h PHE 225 Cb 0.16 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1ptv h PHE 225 CO -0.13 -0.27 0.13 0.00 -2.23 0.00 0.00 178.31 175.80 1ptv h LEU 227 N 0.95 -0.02 -0.46 0.00 5.85 -0.24 -1.25 115.31 120.14 1ptv h LEU 227 Ca 0.20 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1ptv h LEU 227 Cb 0.40 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1ptv h LEU 227 CO 0.01 -0.01 0.26 0.00 -0.34 0.00 0.00 178.44 178.36 1ptv h ALA 228 N 1.02 0.58 -0.36 1.25 0.00 -1.42 -0.33 119.26 120.01 1ptv h ALA 228 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ptv h ALA 228 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ptv h ALA 228 CO -0.02 -0.07 0.19 0.22 0.00 0.00 0.00 179.25 179.58 1ptv h ASP 229 N 0.52 0.45 -0.37 0.00 3.58 -1.21 -0.93 116.42 118.47 1ptv h ASP 229 Ca 0.19 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1ptv h ASP 229 Cb 0.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1ptv h ASP 229 CO -0.10 0.41 0.02 0.74 -2.88 0.00 0.00 179.24 177.43 1ptv h THR 230 N 0.45 1.25 -0.68 2.25 2.02 -1.06 0.73 112.91 117.87 1ptv h THR 230 Ca 0.13 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.38 1ptv h THR 230 Cb 0.06 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1ptv h THR 230 CO -0.02 0.32 0.43 0.00 0.37 0.00 0.00 175.52 176.62 1ptv h LEU 232 N 0.84 0.75 -0.48 0.00 3.38 -0.82 -2.10 115.31 116.88 1ptv h LEU 232 Ca 0.27 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1ptv h LEU 232 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ptv h LEU 232 CO -0.10 0.87 -0.22 0.25 0.09 0.00 0.00 178.44 179.33 1ptv h LEU 233 N 0.70 1.02 -0.04 1.67 5.85 -0.21 -2.02 115.31 122.27 1ptv h LEU 233 Ca 0.12 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1ptv h LEU 233 Cb 0.56 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ptv h LEU 233 CO 0.03 1.19 0.02 -0.07 -0.34 0.00 0.00 178.44 179.27 1ptv h LEU 234 N 0.84 0.05 -1.75 2.25 3.38 -0.36 -1.10 115.31 118.61 1ptv h LEU 234 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ptv h LEU 234 Cb 0.80 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ptv h LEU 234 CO 0.07 0.10 -0.08 0.00 0.09 0.00 0.00 178.44 178.61 1ptv h MET 235 N -0.00 0.00 -0.41 1.13 -0.00 -1.40 -2.96 114.93 111.28 1ptv h MET 235 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.63 1ptv h MET 235 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 1ptv h MET 235 CO -0.00 0.08 -0.06 0.22 -0.00 0.00 0.00 176.91 177.15 1ptv h ASP 236 N 0.00 0.77 -0.03 -0.10 3.58 -0.45 0.81 116.42 121.01 1ptv h ASP 236 Ca -0.00 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.12 1ptv h ASP 236 Cb 0.43 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1ptv h ASP 236 CO 0.01 0.93 0.10 0.07 -2.88 0.00 0.00 179.24 177.47 1ptv h LYS 237 N 0.59 0.00 0.00 0.28 2.10 -1.22 -2.88 116.57 115.44 1ptv h LYS 237 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1ptv h LYS 237 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1ptv h LYS 237 CO 0.03 0.00 0.00 2.89 -2.00 0.00 0.00 179.45 180.37 1ptv n ARG 238 N -3.23 2.06 -3.62 0.07 1.85 -1.12 -4.99 116.66 107.67 1ptv n ARG 238 Ca -0.02 -0.13 -0.22 0.00 -1.00 0.00 0.00 57.85 56.48 1ptv n ARG 238 Cb 0.17 -0.51 0.06 0.00 -1.05 0.00 0.00 32.46 31.14 1ptv n ARG 238 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ptv n LYS 239 N -0.33 -6.48 -3.40 2.89 4.76 0.28 -4.95 118.16 110.92 1ptv n LYS 239 Ca 0.00 0.75 -0.27 0.00 -2.87 0.00 0.00 58.31 55.92 1ptv n LYS 239 Cb 0.05 -5.66 -0.10 0.00 -1.84 0.00 0.00 35.03 27.48 1ptv n LYS 239 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ptv n ASP 240 N -3.03 -0.32 -0.03 4.39 -0.08 -0.73 -4.97 116.55 111.78 1ptv n ASP 240 Ca -0.14 -2.42 0.23 0.00 -1.51 0.00 0.00 54.79 50.95 1ptv n ASP 240 Cb 0.61 -0.56 0.72 0.00 2.34 0.00 0.00 41.12 44.23 1ptv n ASP 240 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ptv h PRO 241 N 5.55 0.00 0.00 -0.67 0.13 -1.93 -1.58 132.00 133.50 1ptv h PRO 241 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1ptv h PRO 241 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ptv h PRO 241 CO 0.39 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 178.93 1ptv h SER 242 N 0.00 0.00 0.55 1.44 0.02 -1.97 -2.73 113.55 110.85 1ptv h SER 242 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1ptv h SER 242 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1ptv h SER 242 CO -0.00 0.00 -0.12 -1.54 -1.14 0.00 0.00 176.83 174.02 1ptv n SER 243 N -2.32 0.31 -4.66 3.07 3.41 -0.59 -4.68 113.62 108.15 1ptv n SER 243 Ca 0.03 -0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.02 1ptv n SER 243 Cb 0.31 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1ptv n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ptv s VAL 244 N -2.67 5.18 -0.38 -3.33 1.01 -1.03 -5.05 120.40 114.12 1ptv s VAL 244 Ca 0.23 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 1ptv s VAL 244 Cb 0.19 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1ptv s VAL 244 CO 0.52 0.22 0.18 -0.62 0.00 0.00 0.00 175.10 175.39 1ptv s ASP 245 N 1.18 5.42 0.12 3.32 -1.08 -1.26 -4.71 116.67 119.65 1ptv s ASP 245 Ca 0.19 -1.43 -0.17 0.00 -0.52 0.00 0.00 52.55 50.62 1ptv s ASP 245 Cb -0.15 -1.90 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1ptv s ASP 245 CO 0.08 -0.44 1.65 0.40 0.52 0.00 0.00 175.17 177.38 1ptv h ILE 246 N 6.17 1.19 -0.81 4.11 2.04 -1.98 -1.22 117.51 127.01 1ptv h ILE 246 Ca -0.21 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1ptv h ILE 246 Cb 1.08 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1ptv h ILE 246 CO 0.68 0.21 0.40 0.11 0.00 0.00 0.00 178.15 179.55 1ptv h LYS 247 N 0.38 1.16 -0.77 2.37 1.57 -1.99 -0.13 116.57 119.16 1ptv h LYS 247 Ca 0.11 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1ptv h LYS 247 Cb 0.21 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1ptv h LYS 247 CO -0.01 0.89 0.27 -0.22 -0.57 0.00 0.00 179.45 179.81 1ptv h LYS 248 N 1.15 1.18 -0.47 3.15 3.64 -1.95 -1.16 116.57 122.10 1ptv h LYS 248 Ca 0.28 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1ptv h LYS 248 Cb 0.10 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1ptv h LYS 248 CO -0.04 0.98 0.01 0.28 -2.27 0.00 0.00 179.45 178.41 1ptv h VAL 249 N 1.14 1.26 -0.87 2.00 2.07 -0.37 -0.28 116.25 121.20 1ptv h VAL 249 Ca 0.25 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1ptv h VAL 249 Cb 0.27 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ptv h VAL 249 CO -0.01 0.36 0.44 0.25 0.02 0.00 0.00 177.57 178.63 1ptv h LEU 250 N 0.68 1.11 -0.53 2.57 5.85 -0.84 -1.80 115.31 122.35 1ptv h LEU 250 Ca 0.13 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ptv h LEU 250 Cb 0.49 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ptv h LEU 250 CO 0.02 0.92 0.04 -0.07 -0.34 0.00 0.00 178.44 179.01 1ptv h LEU 251 N 1.23 0.88 -1.29 2.25 3.38 -0.64 -0.51 115.31 120.61 1ptv h LEU 251 Ca 0.30 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ptv h LEU 251 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ptv h LEU 251 CO -0.04 0.95 0.12 -0.78 0.09 0.00 0.00 178.44 178.78 1ptv h ASP 252 N 0.79 0.56 -0.26 -0.43 3.58 -0.65 -2.48 116.42 117.52 1ptv h ASP 252 Ca 0.16 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 1ptv h ASP 252 Cb 0.47 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1ptv h ASP 252 CO 0.02 0.54 -0.26 0.24 -2.88 0.00 0.00 179.24 176.90 1ptv h MET 253 N 0.60 0.76 0.00 0.28 2.86 -0.75 -2.67 114.93 116.01 1ptv h MET 253 Ca 0.14 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ptv h MET 253 Cb 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1ptv h MET 253 CO -0.01 0.93 0.00 0.54 1.06 0.00 0.00 176.91 179.44 1ptv n ARG 254 N -4.10 0.31 0.19 1.72 5.12 -0.25 -1.32 116.66 118.33 1ptv n ARG 254 Ca -0.00 0.08 0.08 0.00 -1.93 0.00 0.00 57.85 56.08 1ptv n ARG 254 Cb 0.45 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.43 1ptv n ARG 254 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ptv h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.42 -3.32 116.57 118.96 1ptv h LYS 255 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1ptv h LYS 255 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ptv h LYS 255 CO 0.00 0.23 -2.00 1.19 -0.57 0.00 0.00 179.45 178.30 1ptv n PHE 256 N -3.18 0.13 -3.63 -1.35 3.72 -0.43 -4.94 117.46 107.78 1ptv n PHE 256 Ca 0.03 0.04 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 1ptv n PHE 256 Cb 0.58 -0.70 -0.07 0.00 -0.94 0.00 0.00 39.48 38.36 1ptv n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1ptv s ARG 257 N -3.20 0.81 0.74 -1.08 3.52 -1.13 -4.61 118.95 114.00 1ptv s ARG 257 Ca -0.08 0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 56.39 1ptv s ARG 257 Cb 0.11 0.39 0.04 0.00 -1.56 0.00 0.00 34.95 33.93 1ptv s ARG 257 CO 0.87 -0.10 1.09 0.00 -0.81 0.00 0.00 175.30 176.36 1ptv s MET 258 N 0.42 2.46 -1.72 5.12 0.23 -1.26 -4.25 119.30 120.30 1ptv s MET 258 Ca -0.00 1.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.84 1ptv s MET 258 Cb -0.05 -1.92 0.00 0.00 -1.53 0.00 0.00 34.83 31.33 1ptv s MET 258 CO -0.00 -1.49 0.00 0.41 -2.03 0.00 0.00 175.02 171.91 1ptv n GLY 259 N -1.19 0.82 3.64 3.16 0.00 -1.26 -4.88 105.19 105.47 1ptv n GLY 259 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1ptv n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ptv s LEU 260 N -4.93 4.00 0.00 0.99 1.43 -1.26 -4.09 118.68 114.82 1ptv s LEU 260 Ca 0.00 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1ptv s LEU 260 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ptv s LEU 260 CO 0.00 -1.29 0.00 -0.38 0.23 0.00 0.00 176.35 174.91 1ptv n ILE 261 N 6.32 -1.79 0.20 -0.59 5.41 -0.10 -4.94 119.36 123.88 1ptv n ILE 261 Ca 0.21 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.07 1ptv n ILE 261 Cb 0.44 -2.55 0.04 0.00 -0.71 0.00 0.00 39.64 36.87 1ptv n ILE 261 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ptv h GLN 262 N 0.00 0.00 -4.64 0.38 1.08 -1.75 -3.47 115.11 106.70 1ptv h GLN 262 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1ptv h GLN 262 Cb 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.28 1ptv h GLN 262 CO 0.00 0.00 -0.69 0.95 -0.95 0.00 0.00 178.83 178.14 1ptv s THR 263 N -3.32 0.65 0.42 -0.54 -4.23 -1.26 -5.02 115.64 102.35 1ptv s THR 263 Ca 0.01 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1ptv s THR 263 Cb 0.10 -1.74 0.15 0.00 1.34 0.00 0.00 72.50 72.36 1ptv s THR 263 CO 0.77 -0.82 1.94 0.00 -0.54 0.00 0.00 174.62 175.96 1ptv h ALA 264 N 2.94 1.60 0.00 3.99 0.00 -1.94 -2.24 119.26 123.61 1ptv h ALA 264 Ca -0.35 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1ptv h ALA 264 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ptv h ALA 264 CO 0.64 0.30 -0.66 0.22 0.00 0.00 0.00 179.25 179.76 1ptv h ASP 265 N 0.00 0.00 0.39 0.00 3.58 -1.95 -0.71 116.42 117.73 1ptv h ASP 265 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1ptv h ASP 265 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1ptv h ASP 265 CO 0.03 0.66 -0.44 1.56 -2.88 0.00 0.00 179.24 178.17 1ptv h GLN 266 N 0.00 0.07 -0.08 0.28 4.20 -1.74 0.13 115.11 117.98 1ptv h GLN 266 Ca -0.01 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1ptv h GLN 266 Cb 1.21 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1ptv h GLN 266 CO 0.09 0.51 -0.06 1.25 -0.67 0.00 0.00 178.83 179.94 1ptv h LEU 267 N 0.06 0.20 -1.19 1.46 5.85 -1.16 -0.90 115.31 119.63 1ptv h LEU 267 Ca 0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1ptv h LEU 267 Cb 0.81 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1ptv h LEU 267 CO 0.06 0.61 0.41 -0.09 -0.34 0.00 0.00 178.44 179.09 1ptv h ARG 268 N -0.22 0.97 -0.29 1.25 2.43 -0.83 -1.63 114.38 116.06 1ptv h ARG 268 Ca 0.02 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1ptv h ARG 268 Cb 0.54 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1ptv h ARG 268 CO 0.02 0.69 -0.31 0.35 -1.51 0.00 0.00 179.97 179.21 1ptv h PHE 269 N 0.98 0.69 -0.72 2.20 3.57 -0.59 -2.46 116.94 120.62 1ptv h PHE 269 Ca 0.25 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1ptv h PHE 269 Cb -0.02 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 1ptv h PHE 269 CO 0.00 0.84 0.44 0.77 -2.23 0.00 0.00 178.31 178.13 1ptv h SER 270 N 0.51 0.70 0.08 0.41 0.02 -0.19 0.13 113.55 115.21 1ptv h SER 270 Ca 0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ptv h SER 270 Cb 0.79 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1ptv h SER 270 CO 0.06 0.47 -0.04 1.88 -1.14 0.00 0.00 176.83 178.07 1ptv h TYR 271 N 0.84 -0.10 -0.18 3.45 -1.99 -1.28 -0.84 116.97 116.87 1ptv h TYR 271 Ca 0.30 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.06 1ptv h TYR 271 Cb 0.08 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1ptv h TYR 271 CO -0.05 -0.06 -0.07 -0.07 -0.00 0.00 0.00 178.16 177.92 1ptv h LEU 272 N -0.11 -0.23 -0.29 3.88 3.38 -1.08 0.16 115.31 121.02 1ptv h LEU 272 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ptv h LEU 272 Cb 0.09 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ptv h LEU 272 CO 0.02 -0.09 0.16 0.00 0.09 0.00 0.00 178.44 178.62 1ptv h ALA 273 N 1.13 0.36 -0.43 1.53 0.00 -0.85 -0.73 119.26 120.27 1ptv h ALA 273 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ptv h ALA 273 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ptv h ALA 273 CO -0.20 -0.22 -0.06 0.28 0.00 0.00 0.00 179.25 179.05 1ptv h VAL 274 N 0.33 1.25 -0.12 0.00 2.07 -0.92 0.26 116.25 119.12 1ptv h VAL 274 Ca 0.12 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1ptv h VAL 274 Cb 0.01 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ptv h VAL 274 CO -0.06 0.37 0.02 0.40 0.02 0.00 0.00 177.57 178.31 1ptv h ILE 275 N 0.68 1.22 -0.04 4.57 2.04 -0.63 -0.81 117.51 124.55 1ptv h ILE 275 Ca 0.13 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1ptv h ILE 275 Cb 0.51 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ptv h ILE 275 CO 0.03 0.20 0.02 -0.08 0.00 0.00 0.00 178.15 178.32 1ptv h GLU 276 N -0.03 0.06 -0.04 2.37 4.57 -1.08 -2.63 114.58 117.81 1ptv h GLU 276 Ca 0.04 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1ptv h GLU 276 Cb 0.30 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ptv h GLU 276 CO 0.00 0.19 0.04 0.78 -1.18 0.00 0.00 179.01 178.84 1ptv h GLY 277 N -0.08 0.00 2.00 1.92 0.00 -0.86 -1.86 103.07 104.19 1ptv h GLY 277 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ptv h GLY 277 CO -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 1ptv h ALA 278 N 1.96 1.54 -0.31 3.60 0.00 -0.75 -2.39 119.26 122.92 1ptv h ALA 278 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ptv h ALA 278 Cb 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1ptv h ALA 278 CO -0.00 0.06 0.02 0.87 0.00 0.00 0.00 179.25 180.19 1ptv h LYS 279 N 0.00 0.11 0.13 0.00 1.57 -1.42 0.84 116.57 117.80 1ptv h LYS 279 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ptv h LYS 279 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ptv h LYS 279 CO 0.01 0.07 -0.06 0.35 -0.57 0.00 0.00 179.45 179.24 1ptv h PHE 280 N 0.11 -0.17 -1.00 -1.35 3.04 -1.52 -2.27 116.94 113.78 1ptv h PHE 280 Ca 0.15 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.31 1ptv h PHE 280 Cb 0.19 0.06 -0.11 0.00 2.56 0.00 0.00 35.95 38.65 1ptv h PHE 280 CO -0.21 -0.01 0.61 0.82 -2.02 0.00 0.00 178.31 177.50 1ptv h ILE 281 N -0.29 0.63 0.00 1.41 5.03 -1.24 0.74 117.51 123.79 1ptv h ILE 281 Ca -0.02 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1ptv h ILE 281 Cb 0.23 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 33.93 1ptv h ILE 281 CO 0.03 0.12 0.00 0.23 -0.68 0.00 0.00 178.15 177.85 1ptv n MET 282 N -4.79 0.93 0.00 2.37 2.81 0.26 -4.85 117.12 113.85 1ptv n MET 282 Ca 0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 1ptv n MET 282 Cb 0.66 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 1ptv n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ptv n GLY 283 N 0.59 0.60 3.39 3.03 0.00 0.25 -5.01 105.19 108.04 1ptv n GLY 283 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1ptv n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ptv s ASP 284 N -2.36 7.13 0.26 1.61 2.15 -0.88 -4.83 116.67 119.75 1ptv s ASP 284 Ca 0.00 -3.19 0.25 0.00 0.43 0.00 0.00 52.55 50.04 1ptv s ASP 284 Cb 0.00 -2.29 0.93 0.00 -0.30 0.00 0.00 42.92 41.26 1ptv s ASP 284 CO 0.00 -0.53 1.75 0.28 -0.17 0.00 0.00 175.17 176.49 1ptv h SER 285 N 7.11 0.00 0.06 -0.34 0.02 -1.84 -3.19 113.55 115.37 1ptv h SER 285 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1ptv h SER 285 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1ptv h SER 285 CO 1.07 0.00 -0.03 0.77 -1.14 0.00 0.00 176.83 177.50 1ptv h SER 286 N 0.00 0.00 -0.02 3.07 4.64 -1.97 -1.76 113.55 117.52 1ptv h SER 286 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1ptv h SER 286 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ptv h SER 286 CO 0.00 0.03 0.02 1.62 -0.87 0.00 0.00 176.83 177.63 1ptv h VAL 287 N 0.00 0.63 -0.15 0.95 3.04 -1.95 -1.23 116.25 117.53 1ptv h VAL 287 Ca -0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1ptv h VAL 287 Cb 0.07 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1ptv h VAL 287 CO 0.00 0.00 -0.38 -0.61 -1.01 0.00 0.00 177.57 175.57 1ptv h GLN 288 N 0.00 0.33 -0.22 4.17 4.15 -1.56 -0.16 115.11 121.81 1ptv h GLN 288 Ca 0.01 -0.15 -0.19 0.00 0.77 0.00 0.00 58.65 59.09 1ptv h GLN 288 Cb 0.05 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1ptv h GLN 288 CO -0.00 0.66 -0.60 -0.44 -1.93 0.00 0.00 178.83 176.52 1ptv h ASP 289 N 0.28 0.83 -0.78 -0.69 3.32 -1.40 -2.64 116.42 115.35 1ptv h ASP 289 Ca 0.03 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1ptv h ASP 289 Cb 0.80 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1ptv h ASP 289 CO 0.06 1.24 0.28 1.56 -1.72 0.00 0.00 179.24 180.67 1ptv h GLN 290 N 0.55 1.18 -0.69 3.56 4.20 -1.04 -0.91 115.11 121.96 1ptv h GLN 290 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1ptv h GLN 290 Cb 1.20 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1ptv h GLN 290 CO 0.12 0.97 0.44 -1.49 -0.67 0.00 0.00 178.83 178.21 1ptv h TRP 291 N 1.14 0.89 -0.07 2.96 6.55 -0.97 0.20 115.95 126.66 1ptv h TRP 291 Ca 0.26 0.01 0.02 0.00 0.95 0.00 0.00 58.89 60.12 1ptv h TRP 291 Cb 0.26 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 1ptv h TRP 291 CO 0.02 0.58 -0.05 -0.22 -1.05 0.00 0.00 178.44 177.72 1ptv h LYS 292 N 0.94 -0.06 0.22 0.49 3.64 -1.01 0.27 116.57 121.06 1ptv h LYS 292 Ca 0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1ptv h LYS 292 Cb -0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1ptv h LYS 292 CO -0.05 -0.04 -0.24 0.93 -2.27 0.00 0.00 179.45 177.78 1ptv h GLU 293 N -0.06 -0.44 -0.78 1.90 4.39 -0.85 -2.27 114.58 116.46 1ptv h GLU 293 Ca 0.04 0.03 0.23 0.00 0.34 0.00 0.00 59.36 60.00 1ptv h GLU 293 Cb 0.12 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1ptv h GLU 293 CO -0.10 -0.29 0.66 -0.07 -1.16 0.00 0.00 179.01 178.05 1ptv h LEU 294 N -0.46 0.00 -0.70 1.33 3.38 -0.41 0.13 115.31 118.58 1ptv h LEU 294 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1ptv h LEU 294 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1ptv h LEU 294 CO -0.04 0.00 -0.62 0.77 0.09 0.00 0.00 178.44 178.64 1ptv h SER 295 N 0.00 0.14 -5.60 -0.43 4.64 0.12 -3.46 113.55 108.96 1ptv h SER 295 Ca 0.37 -0.08 -0.32 0.00 -0.47 0.00 0.00 61.79 61.29 1ptv h SER 295 Cb 1.70 -0.04 0.17 0.00 -0.31 0.00 0.00 62.40 63.92 1ptv h SER 295 CO -0.00 0.72 -0.78 1.41 -0.87 0.00 0.00 176.83 177.31 1ptv n HIS 296 N -3.84 -2.23 0.12 4.77 8.25 0.03 -4.92 115.22 117.41 1ptv n HIS 296 Ca -0.02 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1ptv n HIS 296 Cb 0.62 -4.93 0.29 0.00 1.12 0.00 0.00 29.99 27.10 1ptv n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1ptv h GLU 297 N -1.76 0.18 -0.01 -0.41 4.11 -1.83 -3.42 114.58 111.44 1ptv h GLU 297 Ca -0.59 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.77 1ptv h GLU 297 Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1ptv h GLU 297 CO 0.49 0.51 0.00 -0.25 0.07 0.00 0.00 179.01 179.82