#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfi s MET 7 N 0.00 3.68 0.10 5.31 -1.94 -1.26 -4.38 119.30 120.81 1xfi s MET 7 Ca 0.00 0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1xfi s MET 7 Cb 0.00 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 1xfi s MET 7 CO 0.00 0.06 0.00 0.14 -0.01 0.00 0.00 175.02 175.21 1xfi s VAL 8 N -2.29 0.26 0.34 -6.03 -7.23 0.10 -4.84 120.40 100.70 1xfi s VAL 8 Ca 0.47 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 1xfi s VAL 8 Cb -0.10 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.93 1xfi s VAL 8 CO 0.32 -0.72 1.38 -2.84 -0.31 0.00 0.00 175.10 172.93 1xfi s PRO 9 N -3.96 4.27 0.00 4.82 0.02 -1.13 -0.65 135.00 138.36 1xfi s PRO 9 Ca 0.16 2.34 -0.35 0.00 0.02 0.00 0.00 61.00 63.16 1xfi s PRO 9 Cb 0.07 -3.04 -0.14 0.00 0.02 0.00 0.00 34.50 31.41 1xfi s PRO 9 CO -0.04 -0.32 1.66 0.34 -0.33 0.00 0.00 177.00 178.32 1xfi n PHE 10 N 0.88 2.13 0.24 6.54 7.35 0.10 -4.85 117.46 129.86 1xfi n PHE 10 Ca 0.01 0.28 0.16 0.00 -0.76 0.00 0.00 57.45 57.14 1xfi n PHE 10 Cb 0.41 -2.53 0.85 0.00 0.35 0.00 0.00 39.48 38.55 1xfi n PHE 10 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1xfi h PRO 11 N 6.97 0.00 -0.15 -7.13 0.13 -1.87 -1.94 132.00 128.00 1xfi h PRO 11 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xfi h PRO 11 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xfi h PRO 11 CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 1xfi n GLN 12 N -2.60 1.92 -2.73 0.86 1.13 -1.26 -4.79 117.38 109.90 1xfi n GLN 12 Ca -0.02 -1.37 -0.42 0.00 -1.94 0.00 0.00 57.00 53.25 1xfi n GLN 12 Cb 0.05 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 1xfi n GLN 12 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xfi s LEU 13 N -1.71 4.20 0.34 1.08 1.43 -0.73 -0.05 118.68 123.24 1xfi s LEU 13 Ca 0.34 1.41 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 1xfi s LEU 13 Cb 0.20 -3.47 -0.12 0.00 0.03 0.00 0.00 46.19 42.82 1xfi s LEU 13 CO 0.29 -0.48 1.34 -2.65 0.23 0.00 0.00 176.35 175.09 1xfi n PRO 14 N 5.31 2.23 -3.86 1.29 -0.02 -1.26 -4.90 135.00 133.79 1xfi n PRO 14 Ca 0.08 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 1xfi n PRO 14 Cb 0.48 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1xfi n PRO 14 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xfi s MET 15 N -1.79 3.47 0.25 -0.52 1.75 -1.26 -3.56 119.30 117.63 1xfi s MET 15 Ca 0.56 -0.11 -0.25 0.00 -1.25 0.00 0.00 55.69 54.64 1xfi s MET 15 Cb -0.56 -3.19 -0.09 0.00 2.84 0.00 0.00 34.83 33.84 1xfi s MET 15 CO 0.61 0.77 0.85 -1.25 -0.65 0.00 0.00 175.02 175.35 1xfi s PRO 16 N -1.08 4.53 0.10 4.11 0.04 -1.26 -5.11 135.00 136.33 1xfi s PRO 16 Ca 0.16 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.49 1xfi s PRO 16 Cb -0.12 -2.99 -0.18 0.00 0.04 0.00 0.00 34.50 31.25 1xfi s PRO 16 CO 0.05 0.41 1.14 -0.84 0.04 0.00 0.00 177.00 177.79 1xfi h ILE 17 N 2.87 1.36 -1.72 0.56 3.07 -1.91 -3.43 117.51 118.32 1xfi h ILE 17 Ca -0.47 -3.06 -0.67 0.00 1.55 0.00 0.00 64.86 62.21 1xfi h ILE 17 Cb 1.20 2.66 0.06 0.00 -0.27 0.00 0.00 36.82 40.47 1xfi h ILE 17 CO 0.66 0.78 0.41 1.21 -1.05 0.00 0.00 178.15 180.16 1xfi n GLU 18 N -3.24 1.14 -1.46 0.16 2.13 -1.26 -1.16 120.64 116.94 1xfi n GLU 18 Ca -0.04 0.41 -0.16 0.00 0.66 0.00 0.00 57.16 58.03 1xfi n GLU 18 Cb 0.94 -2.02 -0.07 0.00 0.27 0.00 0.00 31.44 30.56 1xfi n GLU 18 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xfi n ASN 19 N 2.41 -5.46 0.10 4.31 3.02 -1.26 -4.70 115.26 113.69 1xfi n ASN 19 Ca 0.18 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1xfi n ASN 19 Cb 0.20 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1xfi n ASN 19 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xfi n ASN 20 N -1.22 0.41 -4.70 6.41 3.02 -0.37 -5.04 115.26 113.76 1xfi n ASN 20 Ca -0.16 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1xfi n ASN 20 Cb 0.63 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1xfi n ASN 20 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xfi s TYR 21 N -1.99 3.06 -0.09 3.10 5.04 -0.31 -4.99 117.35 121.18 1xfi s TYR 21 Ca 0.00 0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 55.58 1xfi s TYR 21 Cb 0.00 -3.61 0.03 0.00 0.35 0.00 0.00 41.96 38.74 1xfi s TYR 21 CO 0.00 -2.14 0.00 0.50 -1.34 0.00 0.00 175.55 172.57 1xfi s ARG 22 N 1.88 0.67 0.10 4.97 3.52 -1.26 -4.84 118.95 123.99 1xfi s ARG 22 Ca 0.62 0.02 -0.19 0.00 -0.13 0.00 0.00 55.73 56.06 1xfi s ARG 22 Cb -0.32 -1.15 -0.07 0.00 -1.56 0.00 0.00 34.95 31.86 1xfi s ARG 22 CO 0.27 -0.34 1.61 0.00 -0.81 0.00 0.00 175.30 176.04 1xfi h ALA 23 N 8.31 0.33 -2.44 6.12 0.00 -1.95 -3.44 119.26 126.20 1xfi h ALA 23 Ca -0.20 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 1xfi h ALA 23 Cb 1.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xfi h ALA 23 CO 0.28 -0.04 0.55 0.00 0.00 0.00 0.00 179.25 180.04 1xfi h THR 25 N 4.65 1.33 -3.53 0.00 2.02 -1.40 -3.44 112.91 112.54 1xfi h THR 25 Ca -0.40 -2.48 -0.70 0.00 0.77 0.00 0.00 66.41 63.60 1xfi h THR 25 Cb 1.21 3.01 -0.19 0.00 -1.74 0.00 0.00 68.15 70.43 1xfi h THR 25 CO 0.81 0.71 -0.24 -0.63 0.37 0.00 0.00 175.52 176.54 1xfi s ILE 26 N -2.45 5.11 0.31 3.11 1.01 -1.26 -5.06 121.20 121.98 1xfi s ILE 26 Ca -0.16 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 1xfi s ILE 26 Cb 0.02 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1xfi s ILE 26 CO 0.80 -0.41 1.13 -2.16 0.00 0.00 0.00 174.94 174.31 1xfi s PRO 27 N 2.07 4.48 -0.01 2.79 0.04 -1.26 -4.89 135.00 138.21 1xfi s PRO 27 Ca 0.11 1.84 0.16 0.00 0.04 0.00 0.00 61.00 63.16 1xfi s PRO 27 Cb -0.17 -3.04 -0.22 0.00 0.04 0.00 0.00 34.50 31.10 1xfi s PRO 27 CO 0.13 0.05 0.51 0.66 0.04 0.00 0.00 177.00 178.39 1xfi n TYR 28 N 0.86 0.00 -3.76 0.56 4.01 -1.26 -5.00 117.16 112.58 1xfi n TYR 28 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1xfi n TYR 28 Cb 0.45 -0.21 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 1xfi n TYR 28 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1xfi s ARG 29 N -2.88 0.60 0.21 -0.72 3.52 -1.26 -4.10 118.95 114.32 1xfi s ARG 29 Ca -0.01 -0.03 0.09 0.00 -0.13 0.00 0.00 55.73 55.66 1xfi s ARG 29 Cb 0.11 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 1xfi s ARG 29 CO 0.68 -0.15 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.89 1xfi s PHE 30 N -0.95 2.64 0.48 5.12 0.08 -1.26 -5.04 117.98 119.05 1xfi s PHE 30 Ca -0.10 -0.23 0.25 0.00 0.12 0.00 0.00 56.93 56.98 1xfi s PHE 30 Cb -0.05 -1.24 1.30 0.00 -0.57 0.00 0.00 43.02 42.47 1xfi s PHE 30 CO 0.03 0.56 1.86 -1.35 -0.10 0.00 0.00 175.22 176.23 1xfi h PRO 31 N 2.55 0.18 -0.00 0.24 0.11 -2.03 -0.71 132.00 132.34 1xfi h PRO 31 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xfi h PRO 31 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xfi h PRO 31 CO 0.57 0.12 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.34 1xfi n SER 32 N -4.39 0.03 -4.79 -2.05 3.41 -1.26 -4.86 113.62 99.71 1xfi n SER 32 Ca 0.20 -0.22 -0.35 0.00 -0.26 0.00 0.00 58.87 58.24 1xfi n SER 32 Cb 0.87 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1xfi n SER 32 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xfi s ASP 33 N -2.53 6.42 -0.26 4.04 1.01 -0.28 -4.94 116.67 120.13 1xfi s ASP 33 Ca 0.30 1.99 -0.37 0.00 0.71 0.00 0.00 52.55 55.17 1xfi s ASP 33 Cb 0.20 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.43 1xfi s ASP 33 CO 0.46 -0.73 1.92 -0.67 0.21 0.00 0.00 175.17 176.36 1xfi n ASP 34 N -0.71 2.52 0.02 0.27 -0.08 -1.26 -4.85 116.55 112.46 1xfi n ASP 34 Ca 0.08 0.85 0.10 0.00 -1.51 0.00 0.00 54.79 54.31 1xfi n ASP 34 Cb 0.51 -1.22 0.42 0.00 2.34 0.00 0.00 41.12 43.17 1xfi n ASP 34 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xfi n PRO 35 N 6.56 0.03 0.00 -0.67 -0.04 -1.26 -3.35 135.00 136.27 1xfi n PRO 35 Ca 0.31 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 1xfi n PRO 35 Cb 0.19 -1.55 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1xfi n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xfi n LYS 36 N -1.61 1.46 -4.87 0.54 5.02 -1.26 -4.57 118.16 112.87 1xfi n LYS 36 Ca 0.04 -1.55 -0.28 0.00 -2.02 0.00 0.00 58.31 54.50 1xfi n LYS 36 Cb 0.24 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.74 1xfi n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xfi s LYS 37 N -1.48 2.33 0.38 1.97 3.01 -1.21 -4.68 119.74 120.05 1xfi s LYS 37 Ca 0.21 -0.63 -0.27 0.00 -1.01 0.00 0.00 55.97 54.27 1xfi s LYS 37 Cb 0.15 -1.83 -0.09 0.00 -1.01 0.00 0.00 37.83 35.05 1xfi s LYS 37 CO 0.22 0.09 1.30 0.00 0.51 0.00 0.00 175.35 177.47 1xfi s ALA 38 N 0.52 3.35 0.66 5.17 0.00 -1.25 -4.81 121.76 125.40 1xfi s ALA 38 Ca -0.16 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 1xfi s ALA 38 Cb -0.17 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1xfi s ALA 38 CO 0.06 -0.74 1.03 0.95 0.00 0.00 0.00 175.76 177.06 1xfi s THR 39 N -1.22 3.55 0.21 0.00 -4.23 -1.26 -4.86 115.64 107.81 1xfi s THR 39 Ca 0.54 0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 1xfi s THR 39 Cb -0.38 -3.47 0.17 0.00 1.34 0.00 0.00 72.50 70.16 1xfi s THR 39 CO 0.50 -0.57 1.69 -0.65 -0.54 0.00 0.00 174.62 175.04 1xfi h PRO 40 N -0.48 0.18 -0.68 3.99 0.11 -1.95 0.22 132.00 133.39 1xfi h PRO 40 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1xfi h PRO 40 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1xfi h PRO 40 CO 0.63 0.12 0.16 -0.91 -0.21 0.00 0.00 178.00 177.78 1xfi h ASN 41 N 0.19 1.04 -0.17 -2.05 2.35 -1.95 0.63 115.58 115.62 1xfi h ASN 41 Ca 0.31 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1xfi h ASN 41 Cb 0.48 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xfi h ASN 41 CO -0.45 1.01 0.09 -0.33 -1.65 0.00 0.00 177.43 176.10 1xfi h GLU 42 N 1.03 0.19 -0.46 0.81 5.08 -1.53 -0.70 114.58 118.99 1xfi h GLU 42 Ca 0.21 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1xfi h GLU 42 Cb 0.38 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1xfi h GLU 42 CO 0.00 0.12 0.29 0.82 -1.00 0.00 0.00 179.01 179.25 1xfi h ILE 43 N 0.19 1.08 -0.38 3.13 2.04 -0.71 0.18 117.51 123.04 1xfi h ILE 43 Ca 0.07 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1xfi h ILE 43 Cb 0.00 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1xfi h ILE 43 CO -0.04 0.11 -0.06 0.28 0.00 0.00 0.00 178.15 178.44 1xfi h SER 44 N 0.58 -0.29 0.54 1.72 0.02 -0.66 -0.61 113.55 114.85 1xfi h SER 44 Ca 0.18 0.11 -0.22 0.00 -0.84 0.00 0.00 61.79 61.02 1xfi h SER 44 Cb -0.02 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1xfi h SER 44 CO -0.06 -0.10 -0.95 -0.50 -1.14 0.00 0.00 176.83 174.08 1xfi h TRP 45 N 0.03 0.39 -0.63 3.45 4.06 -0.81 -1.62 115.95 120.82 1xfi h TRP 45 Ca 0.18 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.91 1xfi h TRP 45 Cb 0.27 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 1xfi h TRP 45 CO -0.31 1.06 0.42 0.82 -3.56 0.00 0.00 178.44 176.87 1xfi h ILE 46 N 0.13 1.16 -0.75 1.49 2.04 -0.53 -2.03 117.51 119.03 1xfi h ILE 46 Ca -0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1xfi h ILE 46 Cb 1.59 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1xfi h ILE 46 CO 0.15 0.16 0.44 0.78 0.00 0.00 0.00 178.15 179.67 1xfi h ASN 47 N 0.86 0.91 -0.20 1.72 2.35 -0.89 0.17 115.58 120.49 1xfi h ASN 47 Ca 0.23 -0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1xfi h ASN 47 Cb -0.10 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 37.99 1xfi h ASN 47 CO -0.05 0.71 -0.12 0.58 -1.65 0.00 0.00 177.43 176.90 1xfi h VAL 48 N 1.04 0.64 -0.43 2.81 2.07 -0.62 0.18 116.25 121.94 1xfi h VAL 48 Ca 0.27 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 1xfi h VAL 48 Cb -0.02 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1xfi h VAL 48 CO -0.05 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 177.13 1xfi h PHE 49 N -0.10 0.90 -0.56 1.57 -1.00 -0.79 -2.69 116.94 114.26 1xfi h PHE 49 Ca 0.11 -0.18 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1xfi h PHE 49 Cb 0.27 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 1xfi h PHE 49 CO -0.27 0.90 0.18 0.00 -1.61 0.00 0.00 178.31 177.51 1xfi h ALA 50 N 1.11 1.27 0.00 2.45 0.00 -0.28 -1.79 119.26 122.01 1xfi h ALA 50 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xfi h ALA 50 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xfi h ALA 50 CO 0.05 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1xfi n ASN 51 N -4.30 0.15 0.09 0.00 3.02 0.61 -1.93 115.26 112.91 1xfi n ASN 51 Ca 0.04 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.25 1xfi n ASN 51 Cb 0.19 -0.57 0.36 0.00 -0.61 0.00 0.00 39.78 39.16 1xfi n ASN 51 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xfi n SER 52 N -1.66 0.78 -0.07 6.41 3.41 -0.68 -4.37 113.62 117.44 1xfi n SER 52 Ca 0.04 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 1xfi n SER 52 Cb 0.22 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1xfi n SER 52 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1xfi h ILE 53 N 0.00 1.08 -0.73 -1.33 2.04 -1.45 -2.30 117.51 114.83 1xfi h ILE 53 Ca 0.00 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1xfi h ILE 53 Cb 0.74 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1xfi h ILE 53 CO 0.00 0.08 0.38 -0.65 0.00 0.00 0.00 178.15 177.96 1xfi h PRO 54 N 0.36 0.64 -0.35 2.37 0.11 -1.79 0.49 132.00 133.84 1xfi h PRO 54 Ca 0.10 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1xfi h PRO 54 Cb -0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 1xfi h PRO 54 CO -0.02 0.43 0.08 0.66 -0.21 0.00 0.00 178.00 178.93 1xfi h SER 55 N 0.66 0.53 -0.44 -2.05 4.64 -1.77 -0.29 113.55 114.84 1xfi h SER 55 Ca 0.35 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1xfi h SER 55 Cb 0.32 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1xfi h SER 55 CO -0.24 0.64 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.08 1xfi h PHE 56 N 0.41 0.92 -0.29 4.77 -1.00 -1.17 -1.37 116.94 119.21 1xfi h PHE 56 Ca 0.11 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 1xfi h PHE 56 Cb 0.32 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1xfi h PHE 56 CO 0.02 0.84 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.32 1xfi h LYS 57 N 0.79 0.52 -0.75 1.51 3.64 0.20 0.14 116.57 122.62 1xfi h LYS 57 Ca 0.15 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xfi h LYS 57 Cb 0.49 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1xfi h LYS 57 CO 0.02 0.68 0.45 -0.22 -2.27 0.00 0.00 179.45 178.12 1xfi h LYS 58 N 0.30 1.01 -0.43 1.90 3.64 -0.97 0.86 116.57 122.88 1xfi h LYS 58 Ca 0.08 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1xfi h LYS 58 Cb 0.46 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xfi h LYS 58 CO 0.02 0.72 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.65 1xfi h ARG 59 N 1.02 0.88 -0.36 1.90 9.65 -1.03 -2.96 114.38 123.48 1xfi h ARG 59 Ca 0.27 -0.37 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 1xfi h ARG 59 Cb -0.04 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1xfi h ARG 59 CO -0.05 1.01 0.05 0.00 2.80 0.00 0.00 179.97 183.78 1xfi h ALA 60 N 0.84 0.48 0.00 2.80 0.00 -0.20 -3.01 119.26 120.17 1xfi h ALA 60 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xfi h ALA 60 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xfi h ALA 60 CO 0.06 0.20 -0.18 1.05 0.00 0.00 0.00 179.25 180.37 1xfi h GLU 61 N 0.44 0.00 -0.65 0.00 4.11 -0.83 -1.74 114.58 115.91 1xfi h GLU 61 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1xfi h GLU 61 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xfi h GLU 61 CO 0.01 0.18 0.00 -1.13 0.07 0.00 0.00 179.01 178.14 1xfi n SER 62 N -3.79 4.08 -4.57 3.06 3.41 -1.12 -3.71 113.62 110.98 1xfi n SER 62 Ca -0.02 -2.26 -0.37 0.00 -0.26 0.00 0.00 58.87 55.96 1xfi n SER 62 Cb 0.29 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1xfi n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xfi s ASP 63 N -0.91 6.13 0.43 4.04 -1.08 -0.66 -4.81 116.67 119.82 1xfi s ASP 63 Ca 0.46 -1.56 0.30 0.00 -0.52 0.00 0.00 52.55 51.23 1xfi s ASP 63 Cb 0.28 -2.57 1.44 0.00 -1.46 0.00 0.00 42.92 40.60 1xfi s ASP 63 CO 0.25 -1.86 1.90 -0.29 0.52 0.00 0.00 175.17 175.69 1xfi h ILE 64 N 6.52 0.00 0.00 4.11 6.09 -1.87 0.07 117.51 132.43 1xfi h ILE 64 Ca 0.24 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1xfi h ILE 64 Cb 0.97 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1xfi h ILE 64 CO 1.37 0.00 0.00 0.71 -3.07 0.00 0.00 178.15 177.16 1xfi h THR 65 N 0.00 0.00 -3.35 2.19 1.35 -1.98 -3.41 112.91 107.71 1xfi h THR 65 Ca 0.00 -0.27 -0.62 0.00 -0.55 0.00 0.00 66.41 64.98 1xfi h THR 65 Cb 0.22 1.05 -0.15 0.00 -1.73 0.00 0.00 68.15 67.53 1xfi h THR 65 CO 0.00 0.00 -0.54 -0.69 -0.25 0.00 0.00 175.52 174.04 1xfi s VAL 66 N -3.44 4.96 0.03 6.82 1.01 0.01 -5.04 120.40 124.74 1xfi s VAL 66 Ca 0.03 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1xfi s VAL 66 Cb 0.09 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1xfi s VAL 66 CO 0.41 0.43 1.60 -2.16 0.00 0.00 0.00 175.10 175.39 1xfi s PRO 67 N 0.55 4.21 -1.01 2.72 0.04 -1.26 -2.72 135.00 137.53 1xfi s PRO 67 Ca 0.05 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 1xfi s PRO 67 Cb -0.12 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1xfi s PRO 67 CO 0.01 -0.73 0.85 -3.47 0.04 0.00 0.00 177.00 173.70 1xfi n ASP 68 N 5.87 -2.77 -0.14 6.66 2.03 -1.26 -4.90 116.55 122.05 1xfi n ASP 68 Ca 0.16 -0.50 -0.05 0.00 0.52 0.00 0.00 54.79 54.92 1xfi n ASP 68 Cb 0.42 -4.28 0.04 0.00 -0.72 0.00 0.00 41.12 36.57 1xfi n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xfi h ALA 69 N 0.76 0.53 -0.89 -1.67 0.00 -1.78 -2.95 119.26 113.26 1xfi h ALA 69 Ca -0.48 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1xfi h ALA 69 Cb 1.28 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1xfi h ALA 69 CO 0.42 -0.20 0.58 -1.35 0.00 0.00 0.00 179.25 178.70 1xfi h PRO 70 N 0.36 0.96 -0.36 0.00 0.11 -1.84 0.31 132.00 131.53 1xfi h PRO 70 Ca 0.20 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.12 1xfi h PRO 70 Cb 0.16 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1xfi h PRO 70 CO -0.18 0.63 -0.28 0.00 -0.21 0.00 0.00 178.00 177.97 1xfi h ALA 71 N 1.52 0.52 -0.67 -0.75 0.00 -1.93 -2.26 119.26 115.70 1xfi h ALA 71 Ca 0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xfi h ALA 71 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xfi h ALA 71 CO -0.15 0.54 0.20 0.00 0.00 0.00 0.00 179.25 179.85 1xfi h ARG 72 N 0.62 1.02 -0.37 0.00 3.08 -1.20 -1.77 114.38 115.76 1xfi h ARG 72 Ca 0.07 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1xfi h ARG 72 Cb 0.85 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1xfi h ARG 72 CO 0.07 0.88 -0.17 0.00 -1.07 0.00 0.00 179.97 179.68 1xfi h ALA 73 N 1.23 1.01 -0.60 0.04 0.00 -0.26 0.11 119.26 120.80 1xfi h ALA 73 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xfi h ALA 73 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1xfi h ALA 73 CO -0.01 0.59 0.29 0.93 0.00 0.00 0.00 179.25 181.05 1xfi h GLU 74 N 0.61 0.87 -0.40 0.00 5.08 -1.11 -1.52 114.58 118.11 1xfi h GLU 74 Ca 0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xfi h GLU 74 Cb 0.63 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1xfi h GLU 74 CO 0.04 0.70 0.12 -0.22 -1.00 0.00 0.00 179.01 178.65 1xfi h LYS 75 N 0.82 0.62 -0.33 2.33 1.63 -0.92 -0.93 116.57 119.80 1xfi h LYS 75 Ca 0.21 -0.14 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1xfi h LYS 75 Cb 0.12 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.58 1xfi h LYS 75 CO -0.03 0.63 -0.25 0.35 -3.45 0.00 0.00 179.45 176.71 1xfi h PHE 76 N 0.50 -0.65 -0.59 1.91 3.57 -0.85 0.20 116.94 121.03 1xfi h PHE 76 Ca 0.13 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1xfi h PHE 76 Cb 0.27 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1xfi h PHE 76 CO 0.01 -0.32 0.24 0.00 -2.23 0.00 0.00 178.31 176.01 1xfi h ALA 77 N 0.91 0.76 0.01 2.41 0.00 -0.94 -0.06 119.26 122.36 1xfi h ALA 77 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xfi h ALA 77 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xfi h ALA 77 CO -0.45 0.37 -0.01 1.49 0.00 0.00 0.00 179.25 180.65 1xfi h GLU 78 N 0.81 -0.02 -0.04 0.00 4.81 -0.99 -1.28 114.58 117.87 1xfi h GLU 78 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1xfi h GLU 78 Cb 0.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xfi h GLU 78 CO -0.02 0.07 -0.02 0.00 -0.73 0.00 0.00 179.01 178.31 1xfi h ARG 79 N -0.10 0.08 -0.47 1.92 3.08 -0.39 -1.26 114.38 117.23 1xfi h ARG 79 Ca -0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1xfi h ARG 79 Cb 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1xfi h ARG 79 CO 0.00 0.51 0.18 -0.92 -1.07 0.00 0.00 179.97 178.67 1xfi h TYR 80 N -0.35 0.73 -0.87 3.04 3.20 -1.10 -1.75 116.97 119.88 1xfi h TYR 80 Ca 0.01 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 1xfi h TYR 80 Cb 0.49 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 1xfi h TYR 80 CO 0.08 0.63 0.54 0.00 -1.64 0.00 0.00 178.16 177.77 1xfi h ALA 81 N 1.03 1.19 -0.84 1.82 0.00 -1.23 -1.66 119.26 119.56 1xfi h ALA 81 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xfi h ALA 81 Cb 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1xfi h ALA 81 CO -0.01 0.31 0.41 0.78 0.00 0.00 0.00 179.25 180.74 1xfi h GLY 82 N 1.00 1.28 1.03 0.00 0.00 -0.98 -1.02 103.07 104.38 1xfi h GLY 82 Ca 0.37 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1xfi h GLY 82 CO -0.17 0.60 0.09 -2.22 0.00 0.00 0.00 176.54 174.84 1xfi h ILE 83 N 1.19 1.26 -0.31 2.60 2.04 -0.87 0.11 117.51 123.53 1xfi h ILE 83 Ca 0.29 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1xfi h ILE 83 Cb 0.10 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1xfi h ILE 83 CO -0.04 0.36 0.01 -0.07 0.00 0.00 0.00 178.15 178.41 1xfi h LEU 84 N 0.86 0.53 -0.98 1.44 3.38 -1.18 -1.26 115.31 118.11 1xfi h LEU 84 Ca 0.18 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xfi h LEU 84 Cb 0.43 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xfi h LEU 84 CO 0.01 0.70 0.25 -0.33 0.09 0.00 0.00 178.44 179.16 1xfi h GLU 85 N 0.34 0.99 -0.66 1.13 4.39 -1.03 -2.25 114.58 117.49 1xfi h GLU 85 Ca 0.09 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 59.73 1xfi h GLU 85 Cb 0.43 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.83 1xfi h GLU 85 CO 0.01 0.82 0.26 -0.44 -1.16 0.00 0.00 179.01 178.50 1xfi h ASP 86 N 0.96 0.25 -0.10 1.42 3.32 -0.35 -2.13 116.42 119.80 1xfi h ASP 86 Ca 0.22 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1xfi h ASP 86 Cb 0.21 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1xfi h ASP 86 CO -0.02 0.13 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.33 1xfi h LEU 87 N 0.43 0.54 -1.06 1.55 3.38 -0.70 0.15 115.31 119.60 1xfi h LEU 87 Ca 0.34 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xfi h LEU 87 Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xfi h LEU 87 CO -0.34 0.77 0.12 0.11 0.09 0.00 0.00 178.44 179.19 1xfi h LYS 88 N 0.47 0.79 0.17 1.13 1.57 -0.99 -2.98 116.57 116.74 1xfi h LYS 88 Ca 0.07 -0.16 -0.30 0.00 -1.87 0.00 0.00 60.65 58.39 1xfi h LYS 88 Cb 0.67 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1xfi h LYS 88 CO 0.05 0.72 -1.38 0.87 -0.57 0.00 0.00 179.45 179.14 1xfi h LYS 89 N 0.77 0.35 -2.46 3.15 1.57 -0.93 -3.34 116.57 115.68 1xfi h LYS 89 Ca 0.17 -0.61 -0.43 0.00 -1.87 0.00 0.00 60.65 57.91 1xfi h LYS 89 Cb 0.29 0.23 -0.37 0.00 0.08 0.00 0.00 32.23 32.46 1xfi h LYS 89 CO -0.00 1.28 -0.71 0.34 -0.57 0.00 0.00 179.45 179.78 1xfi s ASP 90 N -7.26 2.58 0.66 0.86 2.15 0.49 -4.80 116.67 111.36 1xfi s ASP 90 Ca -0.07 -1.07 0.41 0.00 0.43 0.00 0.00 52.55 52.26 1xfi s ASP 90 Cb 0.06 0.08 2.26 0.00 -0.30 0.00 0.00 42.92 45.02 1xfi s ASP 90 CO 0.90 -0.41 2.28 -0.65 -0.17 0.00 0.00 175.17 177.12 1xfi h PRO 91 N 8.27 0.00 -0.00 4.34 0.11 -1.76 -0.76 132.00 142.20 1xfi h PRO 91 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1xfi h PRO 91 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xfi h PRO 91 CO 0.38 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.47 1xfi n GLU 92 N -3.09 0.34 -1.47 1.05 -0.58 -1.26 -2.31 120.64 113.31 1xfi n GLU 92 Ca -0.03 -0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.35 1xfi n GLU 92 Cb 0.13 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.64 1xfi n GLU 92 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1xfi s SER 93 N -2.71 3.59 -0.57 1.62 1.04 -0.29 -3.90 113.70 112.48 1xfi s SER 93 Ca 0.23 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1xfi s SER 93 Cb 0.20 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1xfi s SER 93 CO 0.51 -2.51 0.00 1.41 0.98 0.00 0.00 173.24 173.63 1xfi n HIS 94 N -3.76 -1.44 -0.78 5.02 8.25 -1.26 -0.37 115.22 120.87 1xfi n HIS 94 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1xfi n HIS 94 Cb 0.58 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.83 1xfi n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfi n GLY 95 N -0.52 0.58 0.69 -1.41 0.00 -1.26 -5.07 105.19 98.21 1xfi n GLY 95 Ca -0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 1xfi n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfi n GLY 96 N -2.78 -2.36 3.74 -0.02 0.00 0.50 -4.85 105.19 99.42 1xfi n GLY 96 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1xfi n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xfi s PRO 97 N -3.49 2.63 0.53 1.61 0.02 -0.98 -4.63 135.00 130.69 1xfi s PRO 97 Ca 0.14 1.95 -0.18 0.00 0.02 0.00 0.00 61.00 62.93 1xfi s PRO 97 Cb -0.01 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1xfi s PRO 97 CO 0.10 -1.51 1.04 -1.25 -0.33 0.00 0.00 177.00 175.05 1xfi s PRO 98 N -3.43 3.64 0.32 5.54 0.04 -1.26 -5.04 135.00 134.80 1xfi s PRO 98 Ca 0.80 1.27 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1xfi s PRO 98 Cb -0.34 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1xfi s PRO 98 CO 0.38 -0.55 0.21 0.16 0.04 0.00 0.00 177.00 177.24 1xfi s ASP 99 N -2.37 1.58 0.27 6.66 1.47 -1.26 -4.85 116.67 118.17 1xfi s ASP 99 Ca 0.65 -1.65 -0.02 0.00 1.18 0.00 0.00 52.55 52.71 1xfi s ASP 99 Cb -0.16 0.48 0.42 0.00 -0.34 0.00 0.00 42.92 43.33 1xfi s ASP 99 CO 0.27 -0.97 1.89 1.23 0.68 0.00 0.00 175.17 178.27 1xfi h GLY 100 N 2.18 1.50 0.98 2.12 0.00 -1.93 -1.62 103.07 106.30 1xfi h GLY 100 Ca -0.30 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 1xfi h GLY 100 CO 0.45 0.34 0.25 -2.22 0.00 0.00 0.00 176.54 175.36 1xfi h ILE 101 N 1.17 1.13 -0.40 2.60 2.04 -1.97 -1.74 117.51 120.34 1xfi h ILE 101 Ca 0.43 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1xfi h ILE 101 Cb 0.16 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xfi h ILE 101 CO -0.17 0.13 0.11 0.25 0.00 0.00 0.00 178.15 178.47 1xfi h LEU 102 N 0.53 0.60 -0.95 1.44 5.85 -1.73 -0.52 115.31 120.54 1xfi h LEU 102 Ca 0.15 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xfi h LEU 102 Cb -0.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1xfi h LEU 102 CO -0.03 0.67 0.41 -0.07 -0.34 0.00 0.00 178.44 179.08 1xfi h LEU 103 N 0.51 1.04 -0.28 2.25 3.38 -1.21 0.22 115.31 121.22 1xfi h LEU 103 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xfi h LEU 103 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xfi h LEU 103 CO -0.00 0.87 0.15 0.00 0.09 0.00 0.00 178.44 179.54 1xfi h ARG 105 N 0.33 0.72 -0.87 0.00 2.43 -0.60 -2.41 114.38 113.98 1xfi h ARG 105 Ca 0.10 -0.29 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1xfi h ARG 105 Cb 0.08 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1xfi h ARG 105 CO -0.01 0.88 0.56 -0.07 -1.51 0.00 0.00 179.97 179.82 1xfi h LEU 106 N 0.51 0.74 -0.30 3.80 3.38 -1.00 -0.10 115.31 122.33 1xfi h LEU 106 Ca 0.09 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1xfi h LEU 106 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xfi h LEU 106 CO 0.04 0.43 -0.07 -0.09 0.09 0.00 0.00 178.44 178.84 1xfi h ARG 107 N 0.81 0.58 -0.40 1.13 2.43 -1.34 -1.88 114.38 115.71 1xfi h ARG 107 Ca 0.41 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1xfi h ARG 107 Cb 0.47 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1xfi h ARG 107 CO -0.17 0.77 -0.10 0.93 -1.51 0.00 0.00 179.97 179.89 1xfi h GLU 108 N 0.35 0.71 -0.32 0.20 4.39 -0.93 -2.83 114.58 116.15 1xfi h GLU 108 Ca 0.08 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 1xfi h GLU 108 Cb 0.55 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1xfi h GLU 108 CO 0.03 0.79 -0.27 1.96 -1.16 0.00 0.00 179.01 180.36 1xfi h GLN 109 N 0.65 0.75 -0.30 2.33 4.20 -0.79 -0.89 115.11 121.05 1xfi h GLN 109 Ca 0.11 -0.37 0.02 0.00 0.06 0.00 0.00 58.65 58.47 1xfi h GLN 109 Cb 0.55 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1xfi h GLN 109 CO 0.03 0.99 0.16 0.28 -0.67 0.00 0.00 178.83 179.63 1xfi h VAL 110 N 0.51 1.01 -0.22 -0.54 2.07 -1.26 0.78 116.25 118.61 1xfi h VAL 110 Ca 0.06 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1xfi h VAL 110 Cb 0.83 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1xfi h VAL 110 CO 0.07 0.06 0.14 -0.07 0.02 0.00 0.00 177.57 177.79 1xfi h LEU 111 N 0.33 0.25 -0.42 2.57 3.38 -1.40 -2.73 115.31 117.29 1xfi h LEU 111 Ca 0.12 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1xfi h LEU 111 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xfi h LEU 111 CO -0.07 0.19 -0.43 0.03 0.09 0.00 0.00 178.44 178.25 1xfi h ARG 112 N 0.29 0.85 -0.87 1.13 3.08 -0.94 -2.28 114.38 115.65 1xfi h ARG 112 Ca 0.08 -0.47 0.09 0.00 0.07 0.00 0.00 59.98 59.75 1xfi h ARG 112 Cb -0.03 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1xfi h ARG 112 CO -0.02 1.11 0.56 0.93 -1.07 0.00 0.00 179.97 181.48 1xfi h GLU 113 N 0.69 0.83 0.00 0.04 5.08 -0.76 -0.55 114.58 119.90 1xfi h GLU 113 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfi h GLU 113 Cb 1.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xfi h GLU 113 CO 0.10 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.94 1xfi n LEU 114 N -4.52 0.00 0.00 1.33 4.77 -1.02 -4.88 117.00 112.68 1xfi n LEU 114 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xfi n LEU 114 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1xfi n LEU 114 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xfi n GLY 115 N 0.66 0.72 3.76 -0.72 0.00 -0.21 -5.04 105.19 104.36 1xfi n GLY 115 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1xfi n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xfi s PHE 116 N -2.41 3.30 0.00 1.61 0.08 -0.89 -4.94 117.98 114.73 1xfi s PHE 116 Ca 0.00 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1xfi s PHE 116 Cb 0.00 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1xfi s PHE 116 CO 0.00 -1.20 0.00 0.54 -0.10 0.00 0.00 175.22 174.46 1xfi n ARG 117 N 0.95 3.27 -2.77 0.44 5.12 -1.26 -4.06 116.66 118.34 1xfi n ARG 117 Ca -0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 1xfi n ARG 117 Cb 0.43 -0.93 0.01 0.00 -1.16 0.00 0.00 32.46 30.82 1xfi n ARG 117 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1xfi s ASP 118 N -2.66 -1.31 0.36 0.55 -1.08 -1.26 -4.66 116.67 106.62 1xfi s ASP 118 Ca 0.00 -1.51 0.26 0.00 -0.52 0.00 0.00 52.55 50.79 1xfi s ASP 118 Cb 0.00 1.71 1.24 0.00 -1.46 0.00 0.00 42.92 44.41 1xfi s ASP 118 CO 0.00 -0.05 1.80 0.16 0.52 0.00 0.00 175.17 177.60 1xfi h ILE 119 N 4.70 0.00 -0.64 4.11 3.07 -1.93 -2.17 117.51 124.65 1xfi h ILE 119 Ca 0.05 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1xfi h ILE 119 Cb 1.12 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1xfi h ILE 119 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1xfi n PHE 120 N -2.45 1.02 -0.14 0.16 3.01 -1.26 -4.63 117.46 113.17 1xfi n PHE 120 Ca 0.00 -0.47 -0.10 0.00 1.01 0.00 0.00 57.45 57.89 1xfi n PHE 120 Cb 0.16 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1xfi n PHE 120 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xfi h LYS 121 N 3.82 0.74 -0.33 -1.08 1.63 -1.74 0.58 116.57 120.20 1xfi h LYS 121 Ca 0.00 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 1xfi h LYS 121 Cb 1.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1xfi h LYS 121 CO 0.06 0.83 0.15 -0.22 -3.45 0.00 0.00 179.45 176.83 1xfi h LYS 122 N 0.57 0.48 -0.48 1.90 3.64 -1.83 -0.93 116.57 119.92 1xfi h LYS 122 Ca 0.11 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1xfi h LYS 122 Cb 0.51 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1xfi h LYS 122 CO 0.02 0.45 -0.18 -0.24 -2.27 0.00 0.00 179.45 177.24 1xfi h VAL 123 N 0.40 1.27 -0.22 2.00 3.04 -1.82 -0.87 116.25 120.04 1xfi h VAL 123 Ca 0.11 -1.32 0.04 0.00 -1.01 0.00 0.00 66.70 64.52 1xfi h VAL 123 Cb 0.13 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 1xfi h VAL 123 CO -0.01 0.46 -0.05 0.11 -1.01 0.00 0.00 177.57 177.07 1xfi h LYS 124 N 0.82 0.01 -0.97 4.17 1.57 -0.72 0.16 116.57 121.62 1xfi h LYS 124 Ca 0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xfi h LYS 124 Cb 0.73 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1xfi h LYS 124 CO 0.06 0.01 0.60 -0.44 -0.57 0.00 0.00 179.45 179.10 1xfi h ASP 125 N 0.01 1.15 -0.53 0.86 3.32 -0.79 -0.30 116.42 120.13 1xfi h ASP 125 Ca 0.11 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1xfi h ASP 125 Cb 0.16 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1xfi h ASP 125 CO -0.22 0.87 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.81 1xfi h GLU 126 N 1.33 0.97 0.00 3.56 5.08 -0.80 -1.47 114.58 123.26 1xfi h GLU 126 Ca 0.35 -0.33 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1xfi h GLU 126 Cb -0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1xfi h GLU 126 CO -0.07 1.00 -0.87 0.93 -1.00 0.00 0.00 179.01 178.99 1xfi h GLU 127 N 0.84 0.21 -0.44 2.33 4.39 -0.61 -2.19 114.58 119.10 1xfi h GLU 127 Ca 0.15 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1xfi h GLU 127 Cb 0.58 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1xfi h GLU 127 CO 0.03 0.95 0.14 -0.91 -1.16 0.00 0.00 179.01 178.07 1xfi h ASN 128 N 0.12 0.64 -0.33 1.42 2.35 -0.97 -1.67 115.58 117.13 1xfi h ASN 128 Ca -0.04 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1xfi h ASN 128 Cb 1.50 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 1xfi h ASN 128 CO 0.13 0.67 0.19 0.00 -1.65 0.00 0.00 177.43 176.77 1xfi h ALA 129 N 0.99 0.43 -0.72 -0.83 0.00 -1.07 -0.19 119.26 117.87 1xfi h ALA 129 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xfi h ALA 129 Cb 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xfi h ALA 129 CO -0.01 -0.05 0.27 0.87 0.00 0.00 0.00 179.25 180.34 1xfi h LYS 130 N 0.42 1.08 -0.38 0.00 1.57 -1.39 -2.80 116.57 115.07 1xfi h LYS 130 Ca 0.12 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xfi h LYS 130 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xfi h LYS 130 CO -0.02 0.90 -0.08 0.00 -0.57 0.00 0.00 179.45 179.68 1xfi h ALA 131 N 1.13 0.53 -0.91 3.86 0.00 -1.06 -3.10 119.26 119.71 1xfi h ALA 131 Ca 0.24 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1xfi h ALA 131 Cb 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xfi h ALA 131 CO -0.02 0.38 0.59 0.82 0.00 0.00 0.00 179.25 181.02 1xfi h ILE 132 N 0.54 0.96 -0.41 0.00 2.04 -0.86 0.00 117.51 119.79 1xfi h ILE 132 Ca 0.10 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1xfi h ILE 132 Cb 0.59 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1xfi h ILE 132 CO 0.04 0.16 0.28 0.77 0.00 0.00 0.00 178.15 179.40 1xfi h SER 133 N 0.90 0.27 0.11 1.72 4.64 -1.42 -2.74 113.55 117.02 1xfi h SER 133 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1xfi h SER 133 Cb 0.43 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xfi h SER 133 CO -0.19 0.17 -0.37 0.18 -0.87 0.00 0.00 176.83 175.75 1xfi n LEU 134 N -4.47 1.54 -0.08 5.97 4.77 -0.06 -4.57 117.00 120.09 1xfi n LEU 134 Ca 0.05 -0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 55.44 1xfi n LEU 134 Cb 0.26 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xfi n LEU 134 CO 0.35 0.29 0.92 0.15 -1.33 0.00 0.00 177.39 177.77 1xfi h PHE 135 N 1.83 0.18 -0.74 -1.77 3.57 -1.12 -0.44 116.94 118.44 1xfi h PHE 135 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1xfi h PHE 135 Cb 0.63 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1xfi h PHE 135 CO 0.00 0.08 0.32 -1.35 -2.23 0.00 0.00 178.31 175.13 1xfi h PRO 136 N 0.23 1.09 0.07 6.41 0.11 -1.80 -0.15 132.00 137.95 1xfi h PRO 136 Ca 0.14 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1xfi h PRO 136 Cb 0.11 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1xfi h PRO 136 CO -0.14 0.86 -0.03 0.37 -0.21 0.00 0.00 178.00 178.85 1xfi h GLN 137 N 1.07 -0.09 -0.75 1.05 4.15 -1.72 0.15 115.11 118.97 1xfi h GLN 137 Ca 0.25 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1xfi h GLN 137 Cb 0.16 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1xfi h GLN 137 CO -0.03 0.09 0.38 0.28 -1.93 0.00 0.00 178.83 177.62 1xfi h VAL 138 N -0.25 1.24 -0.60 2.39 2.07 -0.86 -2.21 116.25 118.03 1xfi h VAL 138 Ca -0.01 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1xfi h VAL 138 Cb 0.22 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1xfi h VAL 138 CO 0.02 0.27 0.08 0.58 0.02 0.00 0.00 177.57 178.54 1xfi h VAL 139 N 1.05 1.25 -0.90 2.57 2.07 -0.94 -3.04 116.25 118.30 1xfi h VAL 139 Ca 0.26 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1xfi h VAL 139 Cb 0.09 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1xfi h VAL 139 CO -0.04 0.37 0.58 0.28 0.02 0.00 0.00 177.57 178.78 1xfi h SER 140 N 0.92 0.93 -0.87 0.57 0.02 -0.11 0.04 113.55 115.05 1xfi h SER 140 Ca 0.18 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1xfi h SER 140 Cb 0.43 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1xfi h SER 140 CO 0.01 0.61 0.44 -0.07 -1.14 0.00 0.00 176.83 176.68 1xfi h LEU 141 N 1.07 1.12 -0.04 5.07 3.38 -1.34 -0.78 115.31 123.79 1xfi h LEU 141 Ca 0.38 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.97 1xfi h LEU 141 Cb 0.11 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xfi h LEU 141 CO -0.15 0.92 -1.00 0.28 0.09 0.00 0.00 178.44 178.58 1xfi h SER 142 N 1.23 0.89 0.12 -0.43 0.02 -1.38 -3.19 113.55 110.81 1xfi h SER 142 Ca 0.30 -0.69 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1xfi h SER 142 Cb 0.09 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1xfi h SER 142 CO -0.04 1.49 -0.11 0.44 -1.14 0.00 0.00 176.83 177.47 1xfi h ASP 143 N 0.40 0.00 0.71 3.07 5.19 -0.73 -1.81 116.42 123.25 1xfi h ASP 143 Ca -0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1xfi h ASP 143 Cb 1.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1xfi h ASP 143 CO 0.20 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.43 1xfi h ALA 144 N 1.89 1.00 -2.25 3.45 0.00 -1.13 -3.43 119.26 118.79 1xfi h ALA 144 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xfi h ALA 144 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1xfi h ALA 144 CO 0.01 0.00 0.57 0.42 0.00 0.00 0.00 179.25 180.26 1xfi s ILE 145 N -3.55 4.78 -0.04 0.00 1.01 -0.68 -4.94 121.20 117.78 1xfi s ILE 145 Ca 0.02 2.02 -0.26 0.00 0.00 0.00 0.00 60.65 62.43 1xfi s ILE 145 Cb 0.09 -4.31 -0.20 0.00 0.01 0.00 0.00 42.46 38.06 1xfi s ILE 145 CO 0.43 -0.01 1.16 -0.08 0.00 0.00 0.00 174.94 176.45 1xfi h GLU 146 N 7.13 -0.05 -6.49 2.79 4.81 -1.88 -3.45 114.58 117.45 1xfi h GLU 146 Ca -0.30 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.40 1xfi h GLU 146 Cb 1.14 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xfi h GLU 146 CO 0.86 0.47 0.48 0.34 -0.73 0.00 0.00 179.01 180.43 1xfi s ASP 147 N -5.68 7.22 0.27 1.04 2.15 -1.26 -4.93 116.67 115.47 1xfi s ASP 147 Ca -0.16 1.90 -0.01 0.00 0.43 0.00 0.00 52.55 54.72 1xfi s ASP 147 Cb 0.01 -2.58 0.37 0.00 -0.30 0.00 0.00 42.92 40.42 1xfi s ASP 147 CO 0.64 -0.35 1.76 0.44 -0.17 0.00 0.00 175.17 177.49 1xfi h ASP 148 N 6.51 0.70 -0.25 -0.34 3.32 -1.99 -0.91 116.42 123.45 1xfi h ASP 148 Ca -0.42 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.35 1xfi h ASP 148 Cb 1.22 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1xfi h ASP 148 CO 0.78 0.79 -0.26 1.23 -1.72 0.00 0.00 179.24 180.06 1xfi h GLY 149 N 0.96 0.67 1.74 2.75 0.00 -1.96 -1.51 103.07 105.72 1xfi h GLY 149 Ca 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1xfi h GLY 149 CO 0.02 0.62 -0.03 0.50 0.00 0.00 0.00 176.54 177.66 1xfi h LYS 150 N 0.33 0.33 -0.38 4.80 1.57 -1.93 -1.44 116.57 119.85 1xfi h LYS 150 Ca 0.04 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1xfi h LYS 150 Cb 0.82 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1xfi h LYS 150 CO 0.06 0.39 0.13 -0.09 -0.57 0.00 0.00 179.45 179.37 1xfi h ARG 151 N 0.32 0.58 -0.38 3.15 2.43 -0.98 -1.46 114.38 118.04 1xfi h ARG 151 Ca 0.07 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1xfi h ARG 151 Cb 0.27 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1xfi h ARG 151 CO 0.01 0.58 0.07 1.25 -1.51 0.00 0.00 179.97 180.37 1xfi h LEU 152 N 0.46 0.00 -0.83 3.80 5.85 -0.71 -1.37 115.31 122.51 1xfi h LEU 152 Ca 0.12 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1xfi h LEU 152 Cb 0.23 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1xfi h LEU 152 CO -0.01 0.04 0.52 -0.08 -0.34 0.00 0.00 178.44 178.57 1xfi h GLU 153 N 0.20 0.93 -0.69 1.25 4.81 -0.99 0.13 114.58 120.21 1xfi h GLU 153 Ca 0.18 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1xfi h GLU 153 Cb 0.22 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1xfi h GLU 153 CO -0.24 0.61 0.26 -0.97 -0.73 0.00 0.00 179.01 177.94 1xfi h ASN 154 N 0.96 0.96 -0.52 1.04 -0.73 -0.79 -0.09 115.58 116.41 1xfi h ASN 154 Ca 0.36 -0.18 -0.10 0.00 1.87 0.00 0.00 56.30 58.25 1xfi h ASN 154 Cb 0.13 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1xfi h ASN 154 CO -0.16 0.88 -0.05 -0.07 -0.37 0.00 0.00 177.43 177.66 1xfi h LEU 155 N 0.98 0.95 -0.26 0.34 3.38 -0.36 -0.85 115.31 119.49 1xfi h LEU 155 Ca 0.23 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xfi h LEU 155 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xfi h LEU 155 CO -0.02 1.05 0.16 0.58 0.09 0.00 0.00 178.44 180.30 1xfi h VAL 156 N 0.82 1.04 -0.82 1.22 2.07 -0.46 -1.21 116.25 118.92 1xfi h VAL 156 Ca 0.14 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1xfi h VAL 156 Cb 0.59 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1xfi h VAL 156 CO 0.04 0.06 0.53 0.03 0.02 0.00 0.00 177.57 178.25 1xfi h ARG 157 N 0.32 0.82 -0.48 1.57 3.08 -0.87 -1.26 114.38 117.57 1xfi h ARG 157 Ca 0.10 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1xfi h ARG 157 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1xfi h ARG 157 CO -0.04 0.54 0.10 0.78 -1.07 0.00 0.00 179.97 180.29 1xfi h GLY 158 N 0.85 0.79 0.90 0.04 0.00 -0.56 -0.66 103.07 104.44 1xfi h GLY 158 Ca 0.36 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xfi h GLY 158 CO -0.14 0.43 0.10 -2.22 0.00 0.00 0.00 176.54 174.71 1xfi h ILE 159 N 0.71 1.20 -0.28 2.60 2.04 -0.10 0.53 117.51 124.21 1xfi h ILE 159 Ca 0.16 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1xfi h ILE 159 Cb 0.29 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1xfi h ILE 159 CO 0.00 0.21 0.16 -0.26 0.00 0.00 0.00 178.15 178.26 1xfi h PHE 160 N 0.33 0.37 -0.84 1.37 0.04 -1.10 -2.11 116.94 115.00 1xfi h PHE 160 Ca 0.10 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1xfi h PHE 160 Cb 0.23 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 1xfi h PHE 160 CO 0.00 0.30 0.47 0.00 -0.60 0.00 0.00 178.31 178.49 1xfi h ALA 161 N 1.04 1.07 -0.01 2.45 0.00 -1.02 -2.09 119.26 120.71 1xfi h ALA 161 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xfi h ALA 161 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xfi h ALA 161 CO -0.02 0.57 -0.18 0.78 0.00 0.00 0.00 179.25 180.40 1xfi h GLY 162 N 1.16 0.02 2.00 0.00 0.00 -0.66 -0.95 103.07 104.64 1xfi h GLY 162 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1xfi h GLY 162 CO -0.05 0.01 0.00 -2.01 0.00 0.00 0.00 176.54 174.49 1xfi n ASN 163 N -4.31 0.72 -0.10 0.19 4.05 -0.80 -3.36 115.26 111.64 1xfi n ASN 163 Ca -0.02 0.58 -0.12 0.00 0.45 0.00 0.00 54.58 55.46 1xfi n ASN 163 Cb 0.25 -0.77 -0.13 0.00 1.23 0.00 0.00 39.78 40.37 1xfi n ASN 163 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1xfi n ILE 164 N -2.18 1.29 -1.54 -1.44 5.41 -0.99 -4.91 119.36 114.99 1xfi n ILE 164 Ca 0.05 -0.67 -0.29 0.00 1.00 0.00 0.00 62.75 62.84 1xfi n ILE 164 Cb 0.40 -0.86 0.18 0.00 -0.71 0.00 0.00 39.64 38.65 1xfi n ILE 164 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1xfi s PHE 165 N -2.45 1.72 0.00 1.39 2.19 -0.40 -5.13 117.98 115.29 1xfi s PHE 165 Ca -0.18 0.60 0.00 0.00 0.33 0.00 0.00 56.93 57.67 1xfi s PHE 165 Cb 0.07 -3.62 0.00 0.00 -1.31 0.00 0.00 43.02 38.15 1xfi s PHE 165 CO 0.66 -2.84 0.00 -1.33 1.83 0.00 0.00 175.22 173.55 1xfi n MET 181 N -4.02 0.00 -3.73 10.12 0.00 -1.26 -4.43 117.12 113.80 1xfi n MET 181 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.77 1xfi n MET 181 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.80 1xfi n MET 181 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1xfi s SER 182 N 0.00 -0.20 0.18 7.83 1.04 -1.26 -4.97 113.70 116.32 1xfi s SER 182 Ca 0.00 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.88 1xfi s SER 182 Cb 0.00 0.48 0.12 0.00 0.10 0.00 0.00 66.02 66.73 1xfi s SER 182 CO 0.00 -0.88 1.63 0.15 0.98 0.00 0.00 173.24 175.12 1xfi h PHE 183 N 2.00 -0.48 -0.31 5.02 3.57 -1.97 -0.16 116.94 124.62 1xfi h PHE 183 Ca -0.24 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 1xfi h PHE 183 Cb 1.23 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1xfi h PHE 183 CO 0.37 -0.28 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.07 1xfi h LEU 184 N -0.10 0.46 -0.21 0.59 3.38 -1.99 -1.64 115.31 115.80 1xfi h LEU 184 Ca 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xfi h LEU 184 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xfi h LEU 184 CO -0.52 0.55 0.11 0.00 0.09 0.00 0.00 178.44 178.67 1xfi h ALA 185 N 1.50 0.27 -0.50 1.53 0.00 -1.81 -2.91 119.26 117.34 1xfi h ALA 185 Ca 0.10 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1xfi h ALA 185 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xfi h ALA 185 CO 0.01 -0.18 0.34 0.66 0.00 0.00 0.00 179.25 180.09 1xfi h SER 186 N 0.22 0.24 -0.03 0.00 4.64 -0.16 0.17 113.55 118.63 1xfi h SER 186 Ca 0.07 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1xfi h SER 186 Cb 0.10 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xfi h SER 186 CO -0.01 0.15 0.05 0.00 -0.87 0.00 0.00 176.83 176.14 1xfi n GLN 188 N -3.69 0.58 -0.56 0.00 1.13 0.59 -4.32 117.38 111.11 1xfi n GLN 188 Ca -0.02 -0.04 0.04 0.00 -1.94 0.00 0.00 57.00 55.04 1xfi n GLN 188 Cb 0.13 -1.42 0.23 0.00 0.11 0.00 0.00 30.24 29.29 1xfi n GLN 188 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xfi n ASN 189 N -1.40 3.21 -4.77 1.08 3.02 -0.97 -5.02 115.26 110.40 1xfi n ASN 189 Ca 0.04 -3.32 -0.35 0.00 -0.03 0.00 0.00 54.58 50.92 1xfi n ASN 189 Cb 0.31 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 1xfi n ASN 189 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xfi s LEU 190 N -3.00 3.72 0.46 3.41 1.43 -1.23 -4.98 118.68 118.49 1xfi s LEU 190 Ca 0.42 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.46 1xfi s LEU 190 Cb 0.36 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.91 1xfi s LEU 190 CO 0.05 -1.25 0.99 1.33 0.23 0.00 0.00 176.35 177.69 1xfi n VAL 191 N -1.38 2.62 -2.38 -1.59 0.24 -1.26 -4.88 118.33 109.71 1xfi n VAL 191 Ca 0.12 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.55 1xfi n VAL 191 Cb 0.51 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 1xfi n VAL 191 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1xfi s PRO 192 N -2.14 3.95 0.67 7.34 0.04 -1.26 -4.95 135.00 138.66 1xfi s PRO 192 Ca 0.65 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 1xfi s PRO 192 Cb -0.53 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.53 1xfi s PRO 192 CO 0.55 -0.37 1.09 1.03 0.04 0.00 0.00 177.00 179.35 1xfi s ARG 193 N -2.58 2.78 0.37 4.56 0.52 -1.26 -4.46 118.95 118.89 1xfi s ARG 193 Ca 0.61 1.29 -0.27 0.00 -0.52 0.00 0.00 55.73 56.83 1xfi s ARG 193 Cb -0.26 -1.96 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 1xfi s ARG 193 CO 0.32 -1.25 1.32 -2.14 0.02 0.00 0.00 175.30 173.57 1xfi s PRO 194 N -4.31 4.14 0.79 3.54 0.02 -1.26 -5.16 135.00 132.75 1xfi s PRO 194 Ca 0.65 2.21 -0.12 0.00 0.02 0.00 0.00 61.00 63.76 1xfi s PRO 194 Cb -0.19 -2.90 0.06 0.00 0.02 0.00 0.00 34.50 31.49 1xfi s PRO 194 CO 0.45 -0.37 1.11 -1.58 -0.33 0.00 0.00 177.00 176.28 1xfi s TRP 195 N -1.20 2.95 0.23 6.54 0.51 -1.26 -4.94 118.94 121.77 1xfi s TRP 195 Ca 0.53 1.03 -0.07 0.00 -2.12 0.00 0.00 56.10 55.48 1xfi s TRP 195 Cb -0.39 -3.19 0.29 0.00 -0.81 0.00 0.00 33.47 29.37 1xfi s TRP 195 CO 0.52 -1.68 1.85 -0.24 -0.51 0.00 0.00 176.95 176.89 1xfi h VAL 196 N -1.01 1.07 -3.31 4.03 3.04 -1.92 -3.29 116.25 114.84 1xfi h VAL 196 Ca -0.47 -0.33 -0.57 0.00 -1.01 0.00 0.00 66.70 64.32 1xfi h VAL 196 Cb 1.28 0.02 -0.37 0.00 -2.01 0.00 0.00 31.29 30.21 1xfi h VAL 196 CO 0.62 0.18 -0.80 -0.63 -1.01 0.00 0.00 177.57 175.92 1xfi s ILE 197 N -6.08 1.26 -0.42 3.17 1.01 -1.25 -5.05 121.20 113.84 1xfi s ILE 197 Ca -0.13 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1xfi s ILE 197 Cb 0.18 -1.37 0.14 0.00 0.01 0.00 0.00 42.46 41.42 1xfi s ILE 197 CO 0.79 0.19 0.25 -0.62 0.00 0.00 0.00 174.94 175.55 1xfi s ASP 198 N 1.58 3.24 -0.28 3.58 -1.08 -1.24 -1.03 116.67 121.43 1xfi s ASP 198 Ca 0.01 -2.57 0.12 0.00 -0.52 0.00 0.00 52.55 49.59 1xfi s ASP 198 Cb -0.15 -0.78 0.63 0.00 -1.46 0.00 0.00 42.92 41.16 1xfi s ASP 198 CO -0.08 -0.26 1.62 0.47 0.52 0.00 0.00 175.17 177.44 1xfi n ASP 199 N 3.58 3.98 0.01 -0.34 8.00 -0.07 -4.72 116.55 126.99 1xfi n ASP 199 Ca 0.12 -3.30 -0.08 0.00 0.71 0.00 0.00 54.79 52.24 1xfi n ASP 199 Cb 0.37 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1xfi n ASP 199 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xfi h LEU 200 N 1.97 0.56 -0.44 0.64 5.85 -1.93 -2.03 115.31 119.93 1xfi h LEU 200 Ca 0.19 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xfi h LEU 200 Cb 1.94 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1xfi h LEU 200 CO 0.52 0.98 0.27 -0.08 -0.34 0.00 0.00 178.44 179.79 1xfi h GLU 201 N 0.40 0.59 -0.74 1.25 4.57 -1.99 0.81 114.58 119.46 1xfi h GLU 201 Ca 0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1xfi h GLU 201 Cb 1.03 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1xfi h GLU 201 CO 0.09 0.42 0.45 -0.91 -1.18 0.00 0.00 179.01 177.88 1xfi h ASN 202 N 0.58 0.89 -0.45 1.04 2.35 -1.88 -1.61 115.58 116.51 1xfi h ASN 202 Ca 0.16 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1xfi h ASN 202 Cb -0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1xfi h ASN 202 CO -0.03 0.69 -0.19 0.15 -1.65 0.00 0.00 177.43 176.40 1xfi h PHE 203 N 1.01 1.05 -0.65 1.19 3.57 -0.97 -2.79 116.94 119.35 1xfi h PHE 203 Ca 0.27 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1xfi h PHE 203 Cb -0.04 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1xfi h PHE 203 CO -0.01 1.05 0.25 0.37 -2.23 0.00 0.00 178.31 177.73 1xfi h GLN 204 N 0.76 0.98 -0.32 1.11 4.15 -0.68 -0.21 115.11 120.90 1xfi h GLN 204 Ca 0.10 -0.19 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1xfi h GLN 204 Cb 0.76 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 1xfi h GLN 204 CO 0.06 0.83 -0.02 0.00 -1.93 0.00 0.00 178.83 177.77 1xfi h ALA 205 N 1.10 0.27 -0.39 3.38 0.00 -1.16 -1.55 119.26 120.92 1xfi h ALA 205 Ca 0.21 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1xfi h ALA 205 Cb 0.23 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xfi h ALA 205 CO -0.02 -0.42 -0.24 -0.22 0.00 0.00 0.00 179.25 178.35 1xfi h LYS 206 N 0.07 0.79 -0.74 0.00 3.64 -1.22 -3.14 116.57 115.97 1xfi h LYS 206 Ca 0.16 -0.33 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1xfi h LYS 206 Cb 0.22 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1xfi h LYS 206 CO -0.28 0.95 0.48 2.35 -2.27 0.00 0.00 179.45 180.69 1xfi h TRP 207 N 0.69 0.73 0.00 1.91 2.91 -0.44 -2.04 115.95 119.71 1xfi h TRP 207 Ca 0.09 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1xfi h TRP 207 Cb 0.76 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.18 1xfi h TRP 207 CO 0.04 0.36 0.00 0.82 -1.03 0.00 0.00 178.44 178.63 1xfi h ILE 208 N 0.70 0.00 0.00 2.65 5.03 -1.25 -2.42 117.51 122.22 1xfi h ILE 208 Ca 0.33 -0.44 0.00 0.00 -0.12 0.00 0.00 64.86 64.63 1xfi h ILE 208 Cb 0.37 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 35.53 1xfi h ILE 208 CO -0.12 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 177.94 1xfi n ASN 209 N -2.31 0.29 -3.95 1.72 3.02 -0.77 -4.95 115.26 108.32 1xfi n ASN 209 Ca 0.05 0.54 -0.31 0.00 -0.03 0.00 0.00 54.58 54.82 1xfi n ASN 209 Cb 0.38 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1xfi n ASN 209 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xfi n LYS 210 N -1.79 -1.94 0.00 3.52 2.85 -0.91 -4.93 118.16 114.96 1xfi n LYS 210 Ca 0.05 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.75 1xfi n LYS 210 Cb 0.31 -3.97 0.18 0.00 -0.65 0.00 0.00 35.03 30.90 1xfi n LYS 210 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xfi n SER 211 N -2.76 0.75 -4.74 -5.58 7.64 -1.26 -4.87 113.62 102.80 1xfi n SER 211 Ca -0.22 -0.56 -0.36 0.00 1.01 0.00 0.00 58.87 58.74 1xfi n SER 211 Cb 0.64 0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 64.18 1xfi n SER 211 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1xfi s TRP 212 N -2.91 3.45 -0.05 1.43 0.51 -1.26 -4.97 118.94 115.13 1xfi s TRP 212 Ca 0.13 0.49 0.02 0.00 -2.12 0.00 0.00 56.10 54.62 1xfi s TRP 212 Cb 0.17 -2.25 -0.03 0.00 -0.81 0.00 0.00 33.47 30.55 1xfi s TRP 212 CO 0.71 0.28 0.07 1.63 -0.51 0.00 0.00 176.95 179.13 1xfi n LYS 213 N 3.46 3.21 -3.44 4.98 4.76 -1.26 -4.47 118.16 125.40 1xfi n LYS 213 Ca -0.14 -0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.01 1xfi n LYS 213 Cb 0.52 -0.83 -0.11 0.00 -1.84 0.00 0.00 35.03 32.77 1xfi n LYS 213 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1xfi s LYS 214 N -1.68 0.81 0.03 1.97 -0.14 -1.26 -0.79 119.74 118.69 1xfi s LYS 214 Ca 0.00 -1.83 -0.23 0.00 -1.36 0.00 0.00 55.97 52.56 1xfi s LYS 214 Cb 0.02 -1.45 -0.06 0.00 -1.68 0.00 0.00 37.83 34.66 1xfi s LYS 214 CO 0.09 -1.31 0.68 0.00 -0.76 0.00 0.00 175.35 174.06 1xfi s ALA 215 N 0.43 3.44 -0.13 5.17 0.00 -0.25 -0.62 121.76 129.79 1xfi s ALA 215 Ca 0.26 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1xfi s ALA 215 Cb -0.08 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1xfi s ALA 215 CO -0.11 0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.66 1xfi s VAL 216 N -0.25 2.14 -0.19 0.00 1.01 0.20 -0.48 120.40 122.83 1xfi s VAL 216 Ca 0.35 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1xfi s VAL 216 Cb -0.20 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1xfi s VAL 216 CO 0.21 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 175.05 1xfi s ILE 217 N 0.67 2.02 -0.56 2.22 1.01 0.33 -0.36 121.20 126.53 1xfi s ILE 217 Ca -0.10 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.26 1xfi s ILE 217 Cb -0.16 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.45 1xfi s ILE 217 CO 0.01 0.40 0.88 -0.36 0.00 0.00 0.00 174.94 175.87 1xfi s PHE 218 N 1.27 2.82 0.76 3.97 0.40 -0.03 -0.32 117.98 126.85 1xfi s PHE 218 Ca 0.02 -0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 1xfi s PHE 218 Cb -0.15 -4.01 0.07 0.00 0.51 0.00 0.00 43.02 39.44 1xfi s PHE 218 CO -0.11 -1.35 1.10 0.14 0.70 0.00 0.00 175.22 175.71 1xfi s VAL 219 N 3.68 2.24 0.00 -0.44 -7.23 -0.80 -1.74 120.40 116.10 1xfi s VAL 219 Ca 0.25 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1xfi s VAL 219 Cb -0.15 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1xfi s VAL 219 CO 0.16 -0.05 0.00 -0.67 -0.31 0.00 0.00 175.10 174.23 1xfi n ASP 220 N -3.12 0.00 -4.90 4.85 2.03 -1.26 -4.83 116.55 109.32 1xfi n ASP 220 Ca 0.08 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.10 1xfi n ASP 220 Cb 0.60 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1xfi n ASP 220 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1xfi s ASN 221 N 1.00 6.38 1.16 1.67 0.01 -1.26 -1.32 114.94 122.58 1xfi s ASN 221 Ca 0.00 0.97 -0.11 0.00 -0.71 0.00 0.00 52.86 53.01 1xfi s ASN 221 Cb 0.00 -2.26 0.17 0.00 0.41 0.00 0.00 41.25 39.57 1xfi s ASN 221 CO 0.00 -0.47 0.55 -1.20 -1.51 0.00 0.00 177.10 174.48 1xfi n SER 222 N -1.75 -1.91 0.00 -1.22 7.64 -0.59 -2.18 113.62 113.61 1xfi n SER 222 Ca 0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1xfi n SER 222 Cb 0.55 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1xfi n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xfi n GLY 223 N -1.71 2.42 0.27 0.23 0.00 -1.26 -3.01 105.19 102.13 1xfi n GLY 223 Ca 0.08 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1xfi n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfi h ALA 224 N -0.71 2.01 0.15 4.61 0.00 -1.77 -1.94 119.26 121.61 1xfi h ALA 224 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xfi h ALA 224 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xfi h ALA 224 CO 0.00 -0.03 -0.07 0.22 0.00 0.00 0.00 179.25 179.36 1xfi h ASP 225 N 0.00 -0.17 -0.83 0.00 1.82 -1.54 0.64 116.42 116.33 1xfi h ASP 225 Ca 0.01 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1xfi h ASP 225 Cb 0.05 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 1xfi h ASP 225 CO -0.00 -0.11 0.53 -0.29 -1.61 0.00 0.00 179.24 177.76 1xfi h ILE 226 N -0.24 1.22 0.15 2.25 6.09 -1.38 -0.74 117.51 124.86 1xfi h ILE 226 Ca -0.02 -0.45 -0.26 0.00 -1.37 0.00 0.00 64.86 62.76 1xfi h ILE 226 Cb 0.16 0.03 0.01 0.00 0.47 0.00 0.00 36.82 37.49 1xfi h ILE 226 CO 0.03 0.22 -1.26 0.40 -3.07 0.00 0.00 178.15 174.48 1xfi h ILE 227 N 1.13 1.21 0.00 2.19 2.04 -1.41 -0.09 117.51 122.58 1xfi h ILE 227 Ca 0.30 -2.49 -0.05 0.00 1.00 0.00 0.00 64.86 63.62 1xfi h ILE 227 Cb -0.09 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1xfi h ILE 227 CO -0.06 0.74 -1.86 0.18 0.00 0.00 0.00 178.15 177.15 1xfi n LEU 228 N -3.93 0.00 -0.03 1.44 4.77 0.10 -4.14 117.00 115.22 1xfi n LEU 228 Ca -0.20 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 1xfi n LEU 228 Cb 0.92 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 42.06 1xfi n LEU 228 CO 0.47 0.06 -0.19 0.61 -1.33 0.00 0.00 177.39 177.02 1xfi n GLY 229 N 1.57 -0.57 0.07 -0.72 0.00 -0.53 -4.57 105.19 100.45 1xfi n GLY 229 Ca -0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1xfi n GLY 229 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xfi h ILE 230 N -0.34 1.34 -0.59 -0.61 1.08 -1.17 -3.25 117.51 113.96 1xfi h ILE 230 Ca 0.00 -1.03 -0.07 0.00 -0.39 0.00 0.00 64.86 63.37 1xfi h ILE 230 Cb 0.28 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1xfi h ILE 230 CO 0.00 0.28 0.11 -0.07 -0.69 0.00 0.00 178.15 177.77 1xfi h LEU 231 N -0.34 0.93 -1.46 1.44 3.38 -1.16 0.73 115.31 118.82 1xfi h LEU 231 Ca 0.01 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1xfi h LEU 231 Cb 0.46 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1xfi h LEU 231 CO 0.01 0.95 0.42 -0.65 0.09 0.00 0.00 178.44 179.25 1xfi h PRO 232 N 0.87 0.64 -0.06 1.13 0.11 -1.73 0.92 132.00 133.89 1xfi h PRO 232 Ca 0.18 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1xfi h PRO 232 Cb 0.40 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1xfi h PRO 232 CO 0.01 0.43 -0.01 0.35 -0.21 0.00 0.00 178.00 178.57 1xfi h PHE 233 N 0.66 0.12 -0.68 0.65 3.57 -1.39 -1.03 116.94 118.84 1xfi h PHE 233 Ca 0.27 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1xfi h PHE 233 Cb 0.23 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 1xfi h PHE 233 CO -0.00 0.42 0.35 0.00 -2.23 0.00 0.00 178.31 176.85 1xfi h ALA 234 N 0.68 0.93 -0.91 2.41 0.00 -0.56 -1.23 119.26 120.59 1xfi h ALA 234 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xfi h ALA 234 Cb 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1xfi h ALA 234 CO 0.00 -0.03 0.59 -0.09 0.00 0.00 0.00 179.25 179.73 1xfi h ARG 235 N 0.61 1.13 -0.53 0.00 2.43 -0.63 -1.20 114.38 116.18 1xfi h ARG 235 Ca 0.33 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1xfi h ARG 235 Cb 0.30 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1xfi h ARG 235 CO -0.24 0.75 0.16 1.49 -1.51 0.00 0.00 179.97 180.62 1xfi h GLU 236 N 1.17 0.83 -0.46 0.20 4.57 -0.44 -1.28 114.58 119.17 1xfi h GLU 236 Ca 0.35 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 1xfi h GLU 236 Cb -0.04 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.39 1xfi h GLU 236 CO -0.10 0.76 0.20 -0.07 -1.18 0.00 0.00 179.01 178.62 1xfi h LEU 237 N 0.73 0.26 -0.30 1.64 3.38 -0.91 -1.74 115.31 118.37 1xfi h LEU 237 Ca 0.17 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1xfi h LEU 237 Cb 0.29 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xfi h LEU 237 CO -0.00 0.19 0.15 -0.07 0.09 0.00 0.00 178.44 178.79 1xfi h LEU 238 N 0.40 0.21 -1.88 1.67 3.38 -1.00 -0.34 115.31 117.74 1xfi h LEU 238 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xfi h LEU 238 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xfi h LEU 238 CO -0.18 0.16 0.06 -0.09 0.09 0.00 0.00 178.44 178.48 1xfi h ARG 239 N 0.31 0.13 -0.14 1.13 2.43 -0.95 -1.60 114.38 115.69 1xfi h ARG 239 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1xfi h ARG 239 Cb 0.04 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xfi h ARG 239 CO -0.09 0.10 0.00 0.54 -1.51 0.00 0.00 179.97 179.01 1xfi n ARG 240 N -4.51 1.79 0.00 0.20 1.74 -0.68 -4.92 116.66 110.27 1xfi n ARG 240 Ca -0.01 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1xfi n ARG 240 Cb 0.09 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1xfi n ARG 240 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xfi n GLY 241 N 1.17 0.78 3.85 -0.13 0.00 -0.60 -5.02 105.19 105.24 1xfi n GLY 241 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1xfi n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfi s ALA 242 N -2.00 3.27 0.21 4.61 0.00 -0.20 -4.89 121.76 122.76 1xfi s ALA 242 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 1xfi s ALA 242 Cb 0.00 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1xfi s ALA 242 CO 0.00 0.20 0.83 -1.14 0.00 0.00 0.00 175.76 175.65 1xfi s GLN 243 N -3.25 4.59 -0.10 0.00 0.74 0.03 -4.07 119.66 117.59 1xfi s GLN 243 Ca 0.55 1.22 -0.00 0.00 0.05 0.00 0.00 55.36 57.17 1xfi s GLN 243 Cb -0.10 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.88 1xfi s GLN 243 CO 0.20 0.50 -0.07 0.08 -0.55 0.00 0.00 175.29 175.45 1xfi s VAL 244 N -1.26 0.98 -0.25 1.34 1.01 -0.25 -1.09 120.40 120.87 1xfi s VAL 244 Ca 0.40 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1xfi s VAL 244 Cb -0.22 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1xfi s VAL 244 CO 0.26 0.36 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 1xfi s VAL 245 N 1.62 4.49 -0.40 2.92 1.01 0.36 -0.95 120.40 129.45 1xfi s VAL 245 Ca 0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1xfi s VAL 245 Cb -0.13 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1xfi s VAL 245 CO -0.07 0.34 0.44 -0.76 0.00 0.00 0.00 175.10 175.05 1xfi s LEU 246 N 1.50 4.74 -0.27 3.92 1.43 0.49 -0.52 118.68 129.98 1xfi s LEU 246 Ca 0.06 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1xfi s LEU 246 Cb -0.15 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1xfi s LEU 246 CO 0.04 -0.55 0.31 0.00 0.23 0.00 0.00 176.35 176.38 1xfi s ALA 247 N 2.17 3.55 0.18 4.21 0.00 0.57 -0.40 121.76 132.05 1xfi s ALA 247 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1xfi s ALA 247 Cb -0.17 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1xfi s ALA 247 CO 0.14 -0.62 -0.16 0.00 0.00 0.00 0.00 175.76 175.11 1xfi s ALA 248 N 1.95 2.00 0.37 0.00 0.00 -0.17 -1.91 121.76 124.00 1xfi s ALA 248 Ca 0.12 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.27 1xfi s ALA 248 Cb -0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 23.12 22.70 1xfi s ALA 248 CO 0.10 0.15 0.83 0.09 0.00 0.00 0.00 175.76 176.94 1xfi n ASN 249 N -0.02 0.42 -0.04 0.00 4.13 -1.22 -0.89 115.26 117.65 1xfi n ASN 249 Ca -0.11 1.04 -0.14 0.00 1.68 0.00 0.00 54.58 57.06 1xfi n ASN 249 Cb 0.59 -1.23 -0.09 0.00 -1.54 0.00 0.00 39.78 37.51 1xfi n ASN 249 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1xfi h GLU 250 N 1.39 0.24 -6.50 3.52 4.81 -1.15 0.24 114.58 117.13 1xfi h GLU 250 Ca -0.41 -0.16 -0.66 0.00 -0.13 0.00 0.00 59.36 58.00 1xfi h GLU 250 Cb 1.36 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.61 1xfi h GLU 250 CO 0.56 0.74 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.35 1xfi s LEU 251 N -8.97 3.10 0.34 1.64 1.43 -1.11 -4.70 118.68 110.41 1xfi s LEU 251 Ca -0.15 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 1xfi s LEU 251 Cb 0.03 -1.88 -0.12 0.00 0.03 0.00 0.00 46.19 44.26 1xfi s LEU 251 CO 0.74 0.19 1.37 -2.65 0.23 0.00 0.00 176.35 176.23 1xfi n PRO 252 N 0.78 2.31 -3.67 1.29 -0.02 -1.26 -4.61 135.00 129.82 1xfi n PRO 252 Ca -0.13 0.81 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1xfi n PRO 252 Cb 0.52 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1xfi n PRO 252 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xfi s SER 253 N -0.16 0.41 0.91 2.55 0.15 -1.26 -4.87 113.70 111.43 1xfi s SER 253 Ca 0.56 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1xfi s SER 253 Cb -0.54 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1xfi s SER 253 CO 0.61 -0.24 0.00 -0.38 1.20 0.00 0.00 173.24 174.43 1xfi n ILE 254 N 5.29 0.00 -0.80 6.45 5.41 -1.26 -1.40 119.36 133.05 1xfi n ILE 254 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.76 1xfi n ILE 254 Cb 0.50 0.00 0.39 0.00 -0.71 0.00 0.00 39.64 39.82 1xfi n ILE 254 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xfi n ASN 255 N 1.85 5.42 -4.77 4.38 6.94 -1.26 -4.56 115.26 123.27 1xfi n ASN 255 Ca 0.00 -2.75 -0.37 0.00 -0.02 0.00 0.00 54.58 51.44 1xfi n ASN 255 Cb 0.00 -0.65 -0.00 0.00 -2.36 0.00 0.00 39.78 36.77 1xfi n ASN 255 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1xfi s ASP 256 N -0.83 6.08 0.18 0.53 1.11 -0.49 -1.54 116.67 121.72 1xfi s ASP 256 Ca 0.54 2.40 -0.30 0.00 0.18 0.00 0.00 52.55 55.37 1xfi s ASP 256 Cb 0.39 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.69 1xfi s ASP 256 CO 0.20 -0.98 0.97 -0.51 1.18 0.00 0.00 175.17 176.02 1xfi s ILE 257 N -1.48 4.21 0.28 0.77 1.10 -0.43 -4.53 121.20 121.11 1xfi s ILE 257 Ca 0.64 2.01 0.06 0.00 -0.51 0.00 0.00 60.65 62.85 1xfi s ILE 257 Cb -0.31 -4.28 -0.02 0.00 0.15 0.00 0.00 42.46 37.99 1xfi s ILE 257 CO 0.38 0.40 0.40 0.42 -2.11 0.00 0.00 174.94 174.42 1xfi s THR 258 N -0.59 4.77 0.18 4.00 -4.23 -1.26 -3.41 115.64 115.09 1xfi s THR 258 Ca 0.44 -1.01 -0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1xfi s THR 258 Cb -0.25 -3.67 0.09 0.00 1.34 0.00 0.00 72.50 70.01 1xfi s THR 258 CO 0.32 -0.26 1.74 0.00 -0.54 0.00 0.00 174.62 175.88 1xfi h THR 260 N 0.34 0.86 -0.24 0.00 2.02 -1.89 -1.07 112.91 112.93 1xfi h THR 260 Ca 0.24 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 67.11 1xfi h THR 260 Cb 0.26 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1xfi h THR 260 CO -0.25 0.08 -0.49 -0.33 0.37 0.00 0.00 175.52 174.90 1xfi h GLU 261 N 0.44 0.65 -0.24 6.66 5.08 -1.81 -2.55 114.58 122.81 1xfi h GLU 261 Ca 0.26 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1xfi h GLU 261 Cb 0.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xfi h GLU 261 CO -0.23 0.99 -0.42 1.25 -1.00 0.00 0.00 179.01 179.60 1xfi h LEU 262 N 0.51 0.61 -0.53 1.33 5.85 -0.63 0.27 115.31 122.72 1xfi h LEU 262 Ca 0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xfi h LEU 262 Cb 1.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1xfi h LEU 262 CO 0.10 0.96 0.34 0.74 -0.34 0.00 0.00 178.44 180.23 1xfi h THR 263 N 0.47 1.15 -0.28 1.05 2.02 -1.08 -0.94 112.91 115.30 1xfi h THR 263 Ca 0.04 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1xfi h THR 263 Cb 0.93 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1xfi h THR 263 CO 0.08 0.15 0.13 -0.33 0.37 0.00 0.00 175.52 175.92 1xfi h GLU 264 N 0.72 0.41 -0.80 6.66 5.08 -0.94 -2.35 114.58 123.36 1xfi h GLU 264 Ca 0.19 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1xfi h GLU 264 Cb -0.06 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 1xfi h GLU 264 CO -0.04 0.40 0.48 0.82 -1.00 0.00 0.00 179.01 179.68 1xfi h ILE 265 N 0.31 1.01 -0.33 3.13 1.08 -0.68 -0.90 117.51 121.13 1xfi h ILE 265 Ca 0.10 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1xfi h ILE 265 Cb 0.13 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 1xfi h ILE 265 CO -0.01 0.16 0.07 0.25 -0.69 0.00 0.00 178.15 177.93 1xfi h LEU 266 N 0.88 0.51 -0.90 1.44 5.85 -1.00 -0.56 115.31 121.53 1xfi h LEU 266 Ca 0.36 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1xfi h LEU 266 Cb 0.20 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1xfi h LEU 266 CO -0.18 0.62 0.53 -1.28 -0.34 0.00 0.00 178.44 177.79 1xfi h SER 267 N 0.38 0.76 -0.10 1.25 0.87 -1.17 -0.24 113.55 115.31 1xfi h SER 267 Ca 0.10 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 1xfi h SER 267 Cb 0.32 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1xfi h SER 267 CO 0.00 0.41 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.81 1xfi h GLN 268 N 0.86 0.57 0.00 2.24 5.75 -0.43 -3.28 115.11 120.83 1xfi h GLN 268 Ca 0.45 -0.25 -0.22 0.00 -0.15 0.00 0.00 58.65 58.48 1xfi h GLN 268 Cb 0.44 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1xfi h GLN 268 CO -0.27 0.81 -1.18 -0.07 -2.65 0.00 0.00 178.83 175.48 1xfi h LEU 269 N 0.49 0.00-10.32 -2.39 3.38 -0.48 -3.51 115.31 102.47 1xfi h LEU 269 Ca 0.06 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.56 1xfi h LEU 269 Cb 0.77 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.68 1xfi h LEU 269 CO 0.06 0.91 0.22 -0.54 0.09 0.00 0.00 178.44 179.18 1xfi s LYS 270 N -2.72 0.87 0.00 1.13 1.02 -0.16 -4.78 119.74 115.10 1xfi s LYS 270 Ca -0.01 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1xfi s LYS 270 Cb 0.09 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 1xfi s LYS 270 CO 0.81 -2.50 0.00 0.09 -0.92 0.00 0.00 175.35 172.83 1xfi n ASN 273 N -4.05 0.00 -1.23 2.83 3.02 -1.26 -4.83 115.26 109.74 1xfi n ASN 273 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 1xfi n ASN 273 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 1xfi n ASN 273 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xfi n GLY 274 N 0.27 0.76 3.68 7.41 0.00 -1.26 -5.03 105.19 111.02 1xfi n GLY 274 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1xfi n GLY 274 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xfi s GLN 275 N -3.76 2.47 -0.63 1.61 -0.21 -1.26 -4.15 119.66 113.73 1xfi s GLN 275 Ca 0.00 -1.10 -0.14 0.00 0.02 0.00 0.00 55.36 54.14 1xfi s GLN 275 Cb 0.00 -2.38 0.16 0.00 1.00 0.00 0.00 33.01 31.79 1xfi s GLN 275 CO 0.00 0.45 0.56 -0.51 -2.12 0.00 0.00 175.29 173.67 1xfi s LEU 276 N -3.05 6.25 -1.32 2.90 1.43 0.11 -4.37 118.68 120.63 1xfi s LEU 276 Ca 0.28 -2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 51.14 1xfi s LEU 276 Cb -0.09 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1xfi s LEU 276 CO 0.19 -0.71 0.53 0.18 0.23 0.00 0.00 176.35 176.78 1xfi n LEU 277 N 4.68 -2.26 0.00 1.79 4.77 -1.26 -1.71 117.00 123.00 1xfi n LEU 277 Ca -0.03 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1xfi n LEU 277 Cb 0.42 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 1xfi n LEU 277 CO 0.44 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1xfi n GLY 278 N -1.91 0.65 3.46 -0.72 0.00 -1.26 -5.03 105.19 100.37 1xfi n GLY 278 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1xfi n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfi s VAL 279 N -2.49 3.73 0.32 1.61 1.01 -0.70 -5.08 120.40 118.81 1xfi s VAL 279 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1xfi s VAL 279 Cb 0.00 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 1xfi s VAL 279 CO 0.00 0.48 1.27 -0.62 0.00 0.00 0.00 175.10 176.23 1xfi s ASP 280 N 0.55 6.86 -0.07 3.32 2.15 -1.26 -0.71 116.67 127.51 1xfi s ASP 280 Ca -0.04 2.61 0.12 0.00 0.43 0.00 0.00 52.55 55.67 1xfi s ASP 280 Cb -0.14 -2.64 0.31 0.00 -0.30 0.00 0.00 42.92 40.15 1xfi s ASP 280 CO 0.03 -0.47 1.24 0.35 -0.17 0.00 0.00 175.17 176.16 1xfi n THR 281 N 0.90 1.51 0.27 1.71 -2.24 -1.26 -4.66 114.28 110.51 1xfi n THR 281 Ca -0.00 -1.43 0.12 0.00 -2.27 0.00 0.00 64.05 60.46 1xfi n THR 281 Cb 0.42 0.17 0.78 0.00 -2.10 0.00 0.00 70.33 69.61 1xfi n THR 281 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xfi h SER 282 N 1.31 0.00 -0.69 3.42 4.64 -1.92 -1.58 113.55 118.73 1xfi h SER 282 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xfi h SER 282 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1xfi h SER 282 CO 0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1xfi n LYS 283 N -4.18 3.34 -3.46 4.77 5.02 -1.26 -4.85 118.16 117.54 1xfi n LYS 283 Ca -0.03 -2.81 -0.41 0.00 -2.02 0.00 0.00 58.31 53.04 1xfi n LYS 283 Cb 0.10 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.24 1xfi n LYS 283 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xfi s LEU 284 N -1.50 4.56 -0.05 -0.35 2.96 -0.60 -1.09 118.68 122.61 1xfi s LEU 284 Ca 0.51 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1xfi s LEU 284 Cb 0.30 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1xfi s LEU 284 CO 0.29 -0.32 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.04 1xfi s LEU 285 N 1.87 2.39 -0.24 -0.68 1.43 -0.12 -5.01 118.68 118.31 1xfi s LEU 285 Ca 0.09 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1xfi s LEU 285 Cb -0.17 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1xfi s LEU 285 CO 0.11 0.29 0.13 -0.63 0.23 0.00 0.00 176.35 176.48 1xfi s ILE 286 N -0.42 5.00 -0.01 -0.59 -1.09 -1.26 -0.38 121.20 122.45 1xfi s ILE 286 Ca 0.04 0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.60 1xfi s ILE 286 Cb -0.12 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1xfi s ILE 286 CO 0.02 0.34 -0.25 0.00 -1.23 0.00 0.00 174.94 173.82 1xfi s ALA 287 N 1.27 2.24 -0.26 9.38 0.00 0.47 -4.95 121.76 129.91 1xfi s ALA 287 Ca 0.06 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1xfi s ALA 287 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1xfi s ALA 287 CO 0.05 0.53 0.93 1.21 0.00 0.00 0.00 175.76 178.48 1xfi s ASN 288 N -0.76 6.90 0.30 0.00 2.47 -1.26 -1.00 114.94 121.59 1xfi s ASN 288 Ca 0.11 1.07 0.26 0.00 0.42 0.00 0.00 52.86 54.72 1xfi s ASN 288 Cb -0.10 -2.48 0.82 0.00 -1.45 0.00 0.00 41.25 38.04 1xfi s ASN 288 CO -0.00 -0.64 1.75 0.77 -3.72 0.00 0.00 177.10 175.26 1xfi h SER 289 N 7.76 0.00 0.00 -4.21 4.64 -1.31 -3.34 113.55 117.08 1xfi h SER 289 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1xfi h SER 289 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1xfi h SER 289 CO 0.93 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 1xfi n GLY 290 N 0.85 0.97 3.87 -0.77 0.00 -1.26 -1.31 105.19 107.55 1xfi n GLY 290 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1xfi n GLY 290 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xfi s ASN 291 N -3.03 6.50 0.00 1.61 2.47 -1.26 -4.68 114.94 116.54 1xfi s ASN 291 Ca 0.00 1.18 0.08 0.00 0.42 0.00 0.00 52.86 54.54 1xfi s ASN 291 Cb 0.00 -2.35 0.13 0.00 -1.45 0.00 0.00 41.25 37.58 1xfi s ASN 291 CO 0.00 -0.46 1.03 -0.90 -3.72 0.00 0.00 177.10 173.05 1xfi n ASP 292 N -1.49 0.28 -4.32 -4.21 5.75 -1.26 -0.64 116.55 110.66 1xfi n ASP 292 Ca 0.03 -1.97 -0.21 0.00 -0.01 0.00 0.00 54.79 52.63 1xfi n ASP 292 Cb 0.54 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1xfi n ASP 292 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xfi s LEU 293 N 0.00 1.97 0.00 -2.12 1.43 -1.26 -4.69 118.68 114.01 1xfi s LEU 293 Ca 0.10 -1.45 0.28 0.00 -1.03 0.00 0.00 54.13 52.03 1xfi s LEU 293 Cb 0.12 -0.18 1.18 0.00 0.03 0.00 0.00 46.19 47.33 1xfi s LEU 293 CO -0.05 -0.73 1.81 -0.81 0.23 0.00 0.00 176.35 176.81 1xfi n PRO 294 N -0.67 1.55 -4.69 1.29 -0.04 -1.26 -4.83 135.00 126.35 1xfi n PRO 294 Ca -0.02 -0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 62.33 1xfi n PRO 294 Cb 0.66 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 1xfi n PRO 294 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xfi s VAL 295 N -1.99 1.52 -0.09 0.52 -7.23 -1.26 -3.53 120.40 108.34 1xfi s VAL 295 Ca 0.39 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 1xfi s VAL 295 Cb 0.21 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1xfi s VAL 295 CO 0.34 0.00 0.21 -0.51 -0.31 0.00 0.00 175.10 174.83 1xfi s ILE 296 N -2.82 -0.03 -0.45 -0.62 2.07 -1.26 -4.86 121.20 113.23 1xfi s ILE 296 Ca 0.20 0.11 -0.19 0.00 -1.41 0.00 0.00 60.65 59.36 1xfi s ILE 296 Cb 0.05 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.35 1xfi s ILE 296 CO 0.10 0.05 0.55 -0.62 -1.91 0.00 0.00 174.94 173.10 1xfi s ASP 297 N 0.91 6.24 0.00 4.50 -1.08 -1.26 -4.74 116.67 121.24 1xfi s ASP 297 Ca -0.07 -0.67 0.26 0.00 -0.52 0.00 0.00 52.55 51.55 1xfi s ASP 297 Cb -0.08 -2.27 1.20 0.00 -1.46 0.00 0.00 42.92 40.31 1xfi s ASP 297 CO -0.05 -0.73 1.85 0.18 0.52 0.00 0.00 175.17 176.94 1xfi n LEU 298 N 5.93 0.00 0.01 -1.34 4.77 -1.26 -2.25 117.00 122.87 1xfi n LEU 298 Ca -0.06 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1xfi n LEU 298 Cb 0.47 -0.40 0.49 0.00 -2.33 0.00 0.00 43.42 41.65 1xfi n LEU 298 CO 0.50 -0.05 0.87 -1.54 -1.33 0.00 0.00 177.39 175.84 1xfi n SER 299 N -1.40 0.10 -3.58 -1.43 3.41 -1.26 -0.72 113.62 108.73 1xfi n SER 299 Ca 0.09 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.92 1xfi n SER 299 Cb 0.26 -0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 63.54 1xfi n SER 299 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xfi s ARG 300 N -3.02 0.90 0.26 4.33 0.52 -0.95 -2.86 118.95 118.13 1xfi s ARG 300 Ca 0.11 -1.66 0.07 0.00 -0.52 0.00 0.00 55.73 53.73 1xfi s ARG 300 Cb 0.15 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 33.77 1xfi s ARG 300 CO 0.44 -1.19 -0.07 0.14 0.02 0.00 0.00 175.30 174.64 1xfi s VAL 301 N 0.72 1.62 0.77 3.52 -7.23 0.17 -4.84 120.40 115.13 1xfi s VAL 301 Ca 0.18 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 1xfi s VAL 301 Cb -0.23 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.41 1xfi s VAL 301 CO 0.00 -0.36 1.12 -0.94 -0.31 0.00 0.00 175.10 174.62 1xfi s SER 302 N -3.41 4.25 0.33 4.85 1.04 -0.42 -0.72 113.70 119.62 1xfi s SER 302 Ca 0.28 2.02 0.11 0.00 0.48 0.00 0.00 55.95 58.84 1xfi s SER 302 Cb 0.03 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.19 1xfi s SER 302 CO 0.11 -2.21 1.75 1.56 0.98 0.00 0.00 173.24 175.43 1xfi h GLN 303 N -0.91 0.04 -0.01 4.02 4.20 -1.92 -1.95 115.11 118.58 1xfi h GLN 303 Ca -0.45 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.28 1xfi h GLN 303 Cb 1.25 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1xfi h GLN 303 CO 0.50 0.47 -0.31 1.49 -0.67 0.00 0.00 178.83 180.31 1xfi h GLU 304 N 0.03 -0.44 -0.77 1.46 4.81 -1.91 0.23 114.58 117.99 1xfi h GLU 304 Ca -0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1xfi h GLU 304 Cb 0.79 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1xfi h GLU 304 CO 0.06 -0.29 0.31 1.25 -0.73 0.00 0.00 179.01 179.61 1xfi h LEU 305 N -0.45 1.06 -0.22 1.64 5.85 -1.62 -1.47 115.31 120.10 1xfi h LEU 305 Ca 0.07 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1xfi h LEU 305 Cb 0.55 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xfi h LEU 305 CO -0.27 0.94 0.11 0.00 -0.34 0.00 0.00 178.44 178.88 1xfi h ALA 306 N 1.16 0.28 -0.20 1.25 0.00 -1.05 0.47 119.26 121.17 1xfi h ALA 306 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1xfi h ALA 306 Cb 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1xfi h ALA 306 CO -0.02 -0.16 -0.12 -0.92 0.00 0.00 0.00 179.25 178.02 1xfi h TYR 307 N 0.23 -0.30 0.00 0.00 3.20 -0.41 -1.81 116.97 117.88 1xfi h TYR 307 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xfi h TYR 307 Cb 0.11 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1xfi h TYR 307 CO -0.03 -0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.24 1xfi h LEU 308 N -0.11 0.00 -2.36 2.82 3.38 -0.89 -2.92 115.31 115.23 1xfi h LEU 308 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xfi h LEU 308 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xfi h LEU 308 CO -0.27 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 1xfi n SER 309 N -2.75 3.08 0.27 -0.43 3.41 0.12 -4.62 113.62 112.70 1xfi n SER 309 Ca 0.01 -1.90 0.15 0.00 -0.26 0.00 0.00 58.87 56.87 1xfi n SER 309 Cb 0.26 -0.22 0.70 0.00 -0.26 0.00 0.00 64.21 64.68 1xfi n SER 309 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xfi h SER 310 N 3.34 0.00 -0.20 4.04 4.64 -1.14 -2.56 113.55 121.67 1xfi h SER 310 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xfi h SER 310 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1xfi h SER 310 CO 0.00 0.09 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.10 1xfi n ASP 311 N -3.31 3.01 -4.76 4.97 5.75 -1.26 -5.02 116.55 115.92 1xfi n ASP 311 Ca -0.01 -3.28 -0.38 0.00 -0.01 0.00 0.00 54.79 51.11 1xfi n ASP 311 Cb 0.29 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1xfi n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfi s ALA 312 N -2.97 3.05 0.00 2.12 0.00 -0.97 -4.76 121.76 118.23 1xfi s ALA 312 Ca 0.40 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1xfi s ALA 312 Cb 0.34 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1xfi s ALA 312 CO 0.04 -0.94 0.53 -0.40 0.00 0.00 0.00 175.76 174.99 1xfi n ASP 313 N -0.38 1.05 -3.70 0.00 5.68 0.21 -4.87 116.55 114.53 1xfi n ASP 313 Ca 0.07 -1.13 -0.14 0.00 -0.50 0.00 0.00 54.79 53.08 1xfi n ASP 313 Cb 0.45 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.29 1xfi n ASP 313 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1xfi s LEU 314 N -0.13 0.15 -0.15 -2.12 2.96 -1.05 -3.45 118.68 114.89 1xfi s LEU 314 Ca 0.00 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1xfi s LEU 314 Cb 0.00 0.57 0.00 0.00 0.50 0.00 0.00 46.19 47.27 1xfi s LEU 314 CO 0.00 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.96 1xfi s VAL 315 N 1.79 2.45 -0.13 1.68 1.01 -0.68 -0.63 120.40 125.89 1xfi s VAL 315 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1xfi s VAL 315 Cb -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1xfi s VAL 315 CO -0.08 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.71 1xfi s ILE 316 N 0.80 2.18 -0.23 2.22 1.01 0.52 -0.69 121.20 127.00 1xfi s ILE 316 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1xfi s ILE 316 Cb -0.15 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.49 1xfi s ILE 316 CO -0.00 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 1xfi s VAL 317 N 0.65 2.30 -0.12 2.92 1.01 0.12 -0.85 120.40 126.43 1xfi s VAL 317 Ca -0.11 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 1xfi s VAL 317 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1xfi s VAL 317 CO 0.02 0.22 0.12 -0.70 0.00 0.00 0.00 175.10 174.76 1xfi s GLU 318 N 1.22 3.38 0.00 2.72 2.12 -0.71 -1.46 118.70 125.96 1xfi s GLU 318 Ca -0.02 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.14 1xfi s GLU 318 Cb -0.17 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1xfi s GLU 318 CO -0.08 0.77 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1xfi n GLY 319 N 2.01 0.84 0.34 -1.50 0.00 0.67 -4.36 105.19 103.20 1xfi n GLY 319 Ca -0.20 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 1xfi n GLY 319 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xfi h MET 320 N 0.00 1.20 0.15 1.61 4.05 -1.85 -0.93 114.93 119.15 1xfi h MET 320 Ca 0.00 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1xfi h MET 320 Cb 0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 1xfi h MET 320 CO 0.00 0.89 -0.07 0.78 0.23 0.00 0.00 176.91 178.74 1xfi h GLY 321 N 1.20 -0.21 2.00 1.39 0.00 -1.86 0.57 103.07 106.17 1xfi h GLY 321 Ca 0.30 0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.54 1xfi h GLY 321 CO -0.05 -0.08 -0.81 3.21 0.00 0.00 0.00 176.54 178.82 1xfi h ARG 322 N -0.54 0.00 0.00 4.80 3.08 -1.60 -2.42 114.38 117.70 1xfi h ARG 322 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1xfi h ARG 322 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1xfi h ARG 322 CO 0.03 0.81 -1.84 0.41 -1.07 0.00 0.00 179.97 178.31 1xfi n GLY 323 N 1.08 -0.70 0.53 0.04 0.00 -0.36 -4.22 105.19 101.56 1xfi n GLY 323 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1xfi n GLY 323 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfi n ILE 324 N -2.28 1.32 0.22 -0.61 5.41 -0.69 -2.43 119.36 120.30 1xfi n ILE 324 Ca -0.13 0.26 0.06 0.00 1.00 0.00 0.00 62.75 63.95 1xfi n ILE 324 Cb 0.68 -1.97 0.52 0.00 -0.71 0.00 0.00 39.64 38.16 1xfi n ILE 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1xfi h GLU 325 N -0.51 0.00 -5.87 0.38 5.08 -1.02 -3.36 114.58 109.27 1xfi h GLU 325 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1xfi h GLU 325 Cb 0.51 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.58 1xfi h GLU 325 CO 0.00 0.21 -0.79 0.95 -1.00 0.00 0.00 179.01 178.39 1xfi s THR 326 N -4.41 1.69 0.00 1.13 -4.23 -0.91 -1.18 115.64 107.73 1xfi s THR 326 Ca -0.03 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1xfi s THR 326 Cb 0.15 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1xfi s THR 326 CO 0.68 -0.28 0.00 0.59 -0.54 0.00 0.00 174.62 175.07 1xfi n ASN 327 N 0.52 0.00 -0.30 3.99 3.02 -0.24 -3.21 115.26 119.04 1xfi n ASN 327 Ca -0.15 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1xfi n ASN 327 Cb 0.56 -0.69 0.26 0.00 -0.61 0.00 0.00 39.78 39.31 1xfi n ASN 327 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1xfi h LEU 328 N 0.00 0.40 -3.04 3.41 5.85 -1.63 -0.32 115.31 119.98 1xfi h LEU 328 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xfi h LEU 328 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1xfi h LEU 328 CO 0.00 0.09 0.00 -1.22 -0.34 0.00 0.00 178.44 176.97 1xfi n TYR 329 N -4.97 1.12 -1.96 1.25 4.01 -1.26 -4.98 117.16 110.36 1xfi n TYR 329 Ca 0.19 -0.60 -0.41 0.00 -0.16 0.00 0.00 57.90 56.92 1xfi n TYR 329 Cb 0.55 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1xfi n TYR 329 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xfi s ALA 330 N -1.66 3.62 -0.11 -0.72 0.00 -0.13 -4.99 121.76 117.77 1xfi s ALA 330 Ca 0.44 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 1xfi s ALA 330 Cb 0.27 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1xfi s ALA 330 CO 0.22 -0.81 0.28 -0.65 0.00 0.00 0.00 175.76 174.80 1xfi s GLN 331 N -0.90 3.97 0.22 0.00 -0.21 -1.26 -5.09 119.66 116.39 1xfi s GLN 331 Ca 0.57 0.12 0.11 0.00 0.02 0.00 0.00 55.36 56.18 1xfi s GLN 331 Cb -0.43 -3.31 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 1xfi s GLN 331 CO 0.49 0.49 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.92 1xfi s PHE 332 N -0.32 2.42 0.22 0.91 0.08 -1.26 -4.30 117.98 115.74 1xfi s PHE 332 Ca 0.18 -0.30 0.31 0.00 0.12 0.00 0.00 56.93 57.23 1xfi s PHE 332 Cb -0.14 -1.14 1.36 0.00 -0.57 0.00 0.00 43.02 42.54 1xfi s PHE 332 CO 0.06 0.58 1.99 0.87 -0.10 0.00 0.00 175.22 178.63 1xfi h LYS 333 N 2.73 0.00 -5.28 0.44 1.57 -0.78 -3.46 116.57 111.79 1xfi h LYS 333 Ca -0.44 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.70 1xfi h LYS 333 Cb 1.23 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.41 1xfi h LYS 333 CO 0.54 0.09 -0.54 0.00 -0.57 0.00 0.00 179.45 178.96 1xfi n ASP 335 N -1.16 1.80 -3.93 0.00 8.00 -1.22 -4.71 116.55 115.33 1xfi n ASP 335 Ca -0.13 0.99 -0.10 0.00 0.71 0.00 0.00 54.79 56.26 1xfi n ASP 335 Cb 0.67 -1.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.20 1xfi n ASP 335 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xfi s SER 336 N -0.84 0.12 -0.06 -2.24 1.04 -0.80 -1.68 113.70 109.24 1xfi s SER 336 Ca 0.67 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.84 1xfi s SER 336 Cb -0.48 0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.77 1xfi s SER 336 CO 0.53 -0.22 -0.10 -0.22 0.98 0.00 0.00 173.24 174.21 1xfi s LEU 337 N -1.00 1.52 -0.21 2.42 2.96 0.13 -1.24 118.68 123.27 1xfi s LEU 337 Ca -0.11 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1xfi s LEU 337 Cb -0.07 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 1xfi s LEU 337 CO -0.00 -0.00 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.40 1xfi s LYS 338 N 0.81 3.28 -0.10 1.98 3.01 -0.12 0.11 119.74 128.71 1xfi s LYS 338 Ca -0.12 -0.68 -0.01 0.00 -1.01 0.00 0.00 55.97 54.15 1xfi s LYS 338 Cb -0.15 -2.88 0.03 0.00 -1.01 0.00 0.00 37.83 33.81 1xfi s LYS 338 CO 0.02 -0.19 -0.02 -1.50 0.51 0.00 0.00 175.35 174.17 1xfi s ILE 339 N 1.40 0.61 -0.05 2.17 2.07 -0.54 -1.02 121.20 125.85 1xfi s ILE 339 Ca 0.05 -0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 58.89 1xfi s ILE 339 Cb -0.14 -0.77 0.11 0.00 0.13 0.00 0.00 42.46 41.79 1xfi s ILE 339 CO -0.06 0.24 1.02 -0.83 -1.91 0.00 0.00 174.94 173.40 1xfi s GLY 340 N 1.87 -0.38 0.10 1.50 0.00 -0.71 -0.24 107.32 109.45 1xfi s GLY 340 Ca 0.04 1.08 -0.18 0.00 0.00 0.00 0.00 44.72 45.66 1xfi s GLY 340 CO -0.06 0.35 0.57 1.06 0.00 0.00 0.00 173.10 175.01 1xfi s MET 341 N -2.87 4.14 -0.36 2.90 -1.94 -1.26 -0.95 119.30 118.97 1xfi s MET 341 Ca 0.08 0.68 -0.25 0.00 -1.71 0.00 0.00 55.69 54.49 1xfi s MET 341 Cb -0.01 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.70 1xfi s MET 341 CO -0.06 0.59 0.87 0.08 -0.01 0.00 0.00 175.02 176.49 1xfi s VAL 342 N -1.22 4.66 -0.09 -6.03 1.01 0.05 -4.15 120.40 114.62 1xfi s VAL 342 Ca 0.32 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1xfi s VAL 342 Cb -0.18 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1xfi s VAL 342 CO 0.19 -0.47 0.77 0.29 0.00 0.00 0.00 175.10 175.88 1xfi n LYS 343 N 6.59 1.03 -4.75 2.72 5.02 -1.26 -0.34 118.16 127.16 1xfi n LYS 343 Ca 0.06 -1.04 -0.33 0.00 -2.02 0.00 0.00 58.31 54.98 1xfi n LYS 343 Cb 0.48 -1.02 -0.15 0.00 -0.02 0.00 0.00 35.03 34.32 1xfi n LYS 343 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xfi s HIS 344 N -0.53 2.77 0.40 2.13 3.76 -1.26 -4.97 115.29 117.59 1xfi s HIS 344 Ca 0.01 -0.82 0.16 0.00 -0.15 0.00 0.00 55.06 54.26 1xfi s HIS 344 Cb 0.01 -1.84 1.03 0.00 1.11 0.00 0.00 32.58 32.89 1xfi s HIS 344 CO 0.01 -0.33 1.82 -0.07 -0.85 0.00 0.00 174.74 175.33 1xfi h LEU 345 N 6.91 0.48 -0.88 0.89 3.38 -1.97 -0.67 115.31 123.45 1xfi h LEU 345 Ca -0.27 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1xfi h LEU 345 Cb 1.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xfi h LEU 345 CO 0.55 0.17 -0.37 -0.33 0.09 0.00 0.00 178.44 178.54 1xfi h GLU 346 N 0.46 0.37 -0.10 1.13 3.07 -1.98 0.21 114.58 117.74 1xfi h GLU 346 Ca 0.51 -0.17 -0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1xfi h GLU 346 Cb 1.20 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1xfi h GLU 346 CO -0.23 0.69 -0.46 0.28 -1.40 0.00 0.00 179.01 177.89 1xfi h VAL 347 N 0.31 1.38 -0.61 3.13 2.07 -1.73 -2.07 116.25 118.73 1xfi h VAL 347 Ca 0.03 -1.80 0.08 0.00 0.82 0.00 0.00 66.70 65.83 1xfi h VAL 347 Cb 0.80 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 1xfi h VAL 347 CO 0.06 0.54 0.28 0.00 0.02 0.00 0.00 177.57 178.47 1xfi h ALA 348 N 0.47 0.81 0.15 1.67 0.00 -0.78 -1.49 119.26 120.09 1xfi h ALA 348 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xfi h ALA 348 Cb 1.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1xfi h ALA 348 CO 0.10 -0.11 -0.25 1.49 0.00 0.00 0.00 179.25 180.48 1xfi h GLU 349 N 0.51 -0.46 -0.88 0.00 4.81 -0.58 0.97 114.58 118.96 1xfi h GLU 349 Ca 0.29 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.74 1xfi h GLU 349 Cb 0.29 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1xfi h GLU 349 CO -0.25 -0.30 0.43 0.35 -0.73 0.00 0.00 179.01 178.51 1xfi h PHE 350 N -0.47 0.74 0.00 0.92 3.57 -1.04 -1.86 116.94 118.80 1xfi h PHE 350 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xfi h PHE 350 Cb 0.48 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xfi h PHE 350 CO -0.21 0.09 -0.27 1.28 -2.23 0.00 0.00 178.31 176.97 1xfi n LEU 351 N -4.93 0.29 -2.16 0.59 4.77 -0.59 -4.94 117.00 110.02 1xfi n LEU 351 Ca 0.20 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 1xfi n LEU 351 Cb 0.54 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1xfi n LEU 351 CO 0.18 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 176.90 1xfi n GLY 352 N 1.49 -0.16 0.00 -0.72 0.00 -0.04 -5.01 105.19 100.75 1xfi n GLY 352 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xfi n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfi n GLY 353 N -1.29 4.85 3.93 -0.02 0.00 0.14 -5.02 105.19 107.78 1xfi n GLY 353 Ca -0.08 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 1xfi n GLY 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfi s ARG 354 N -0.84 3.50 0.37 1.61 0.52 -1.26 -4.53 118.95 118.32 1xfi s ARG 354 Ca 0.00 -0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 1xfi s ARG 354 Cb 0.00 -2.84 -0.10 0.00 0.52 0.00 0.00 34.95 32.52 1xfi s ARG 354 CO 0.00 0.40 1.41 -1.17 0.02 0.00 0.00 175.30 175.96 1xfi s LEU 355 N -3.47 4.33 -0.45 2.53 2.96 -1.26 -1.45 118.68 121.87 1xfi s LEU 355 Ca 0.38 2.90 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 1xfi s LEU 355 Cb -0.11 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1xfi s LEU 355 CO 0.30 -0.79 0.00 -1.22 -1.32 0.00 0.00 176.35 173.31 1xfi n TYR 356 N 0.49 0.00 -1.09 5.38 4.01 0.53 -5.01 117.16 121.47 1xfi n TYR 356 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 1xfi n TYR 356 Cb 0.41 -1.43 0.12 0.00 -0.31 0.00 0.00 39.34 38.13 1xfi n TYR 356 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xfi s ASP 357 N -2.35 3.77 -0.14 7.72 -1.08 -0.53 -4.56 116.67 119.51 1xfi s ASP 357 Ca 0.00 2.14 -0.04 0.00 -0.52 0.00 0.00 52.55 54.13 1xfi s ASP 357 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1xfi s ASP 357 CO 0.00 -2.54 0.00 0.00 0.52 0.00 0.00 175.17 173.16 1xfi s VAL 359 N -0.06 3.75 -0.40 0.00 1.01 -0.12 -3.12 120.40 121.46 1xfi s VAL 359 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1xfi s VAL 359 Cb -0.13 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.72 1xfi s VAL 359 CO 0.02 0.46 0.22 0.12 0.00 0.00 0.00 175.10 175.92 1xfi s PHE 360 N 0.79 1.57 -0.34 5.22 2.19 -0.20 -1.75 117.98 125.47 1xfi s PHE 360 Ca -0.01 -2.14 -0.06 0.00 0.33 0.00 0.00 56.93 55.05 1xfi s PHE 360 Cb -0.14 -1.58 0.04 0.00 -1.31 0.00 0.00 43.02 40.03 1xfi s PHE 360 CO 0.02 -0.80 0.10 0.21 1.83 0.00 0.00 175.22 176.58 1xfi s LYS 361 N 0.65 2.58 -0.12 10.12 2.20 -0.19 -0.89 119.74 134.10 1xfi s LYS 361 Ca 0.17 -1.22 0.02 0.00 -0.36 0.00 0.00 55.97 54.58 1xfi s LYS 361 Cb -0.24 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1xfi s LYS 361 CO -0.01 -0.68 -0.18 0.12 -0.36 0.00 0.00 175.35 174.24 1xfi s PHE 362 N 1.38 2.70 -0.18 4.03 5.36 -1.26 -0.94 117.98 129.07 1xfi s PHE 362 Ca -0.02 -0.79 0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1xfi s PHE 362 Cb -0.20 -1.78 0.04 0.00 -0.34 0.00 0.00 43.02 40.74 1xfi s PHE 362 CO 0.02 -0.28 -0.11 -0.80 -1.46 0.00 0.00 175.22 172.59 1xfi s ASN 363 N 0.31 3.12 -0.18 6.13 0.01 -0.37 -4.97 114.94 118.98 1xfi s ASN 363 Ca -0.14 -0.74 -0.09 0.00 -0.71 0.00 0.00 52.86 51.18 1xfi s ASN 363 Cb -0.17 -1.18 -0.05 0.00 0.41 0.00 0.00 41.25 40.26 1xfi s ASN 363 CO 0.07 -0.12 0.13 -0.70 -1.51 0.00 0.00 177.10 174.97 1xfi s GLU 364 N 1.45 4.00 0.00 -0.60 2.12 -1.26 -1.90 118.70 122.51 1xfi s GLU 364 Ca 0.01 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1xfi s GLU 364 Cb -0.15 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1xfi s GLU 364 CO -0.09 0.41 0.00 0.28 -0.54 0.00 0.00 175.26 175.32