#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llx s ALA 4 N 0.00 2.52 0.71 -1.46 0.00 -1.26 -4.99 121.76 117.29 3llx s ALA 4 Ca 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 3llx s ALA 4 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3llx s ALA 4 CO 0.00 -1.27 1.25 -2.14 0.00 0.00 0.00 175.76 173.59 3llx s PRO 5 N -4.48 2.20 0.54 0.00 0.02 -1.26 -4.89 135.00 127.14 3llx s PRO 5 Ca 0.63 1.90 0.21 0.00 0.02 0.00 0.00 61.00 63.76 3llx s PRO 5 Cb -0.17 -1.82 1.44 0.00 0.02 0.00 0.00 34.50 33.96 3llx s PRO 5 CO 0.47 -1.82 2.15 -0.44 -0.33 0.00 0.00 177.00 177.02 3llx h ASP 6 N -0.06 0.00 0.72 2.53 3.32 -1.94 -2.47 116.42 118.53 3llx h ASP 6 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3llx h ASP 6 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3llx h ASP 6 CO 0.50 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.35 3llx n TRP 7 N -4.31 0.66 0.12 4.55 4.27 -1.26 -2.30 117.44 119.17 3llx n TRP 7 Ca -0.01 0.25 0.16 0.00 -3.89 0.00 0.00 57.50 54.02 3llx n TRP 7 Cb 0.18 -0.91 0.71 0.00 -1.36 0.00 0.00 31.31 29.93 3llx n TRP 7 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3llx h ILE 8 N 0.00 0.74 -0.00 -1.67 2.04 -1.81 -0.08 117.51 116.73 3llx h ILE 8 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3llx h ILE 8 Cb 0.36 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3llx h ILE 8 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 3llx n ALA 9 N -2.54 2.66 -0.08 1.87 0.00 -0.97 -4.37 120.51 117.08 3llx n ALA 9 Ca 0.04 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 3llx n ALA 9 Cb 0.40 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 3llx n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3llx h HIS 10 N 0.31 0.06 -3.97 0.00 3.86 -1.19 -3.47 115.15 110.74 3llx h HIS 10 Ca 0.00 -0.04 -0.50 0.00 -1.16 0.00 0.00 60.37 58.66 3llx h HIS 10 Cb 0.12 -0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.63 3llx h HIS 10 CO 0.00 1.35 0.47 -2.14 0.86 0.00 0.00 177.93 178.47 3llx s PRO 11 N -2.33 3.95 0.55 2.45 0.02 -1.26 -4.98 135.00 133.40 3llx s PRO 11 Ca -0.25 1.74 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 3llx s PRO 11 Cb 0.03 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.98 3llx s PRO 11 CO 0.65 -0.38 1.24 -0.51 -0.33 0.00 0.00 177.00 177.66 3llx s ASP 12 N -1.33 5.41 0.35 2.53 1.01 -1.26 -5.00 116.67 118.38 3llx s ASP 12 Ca 0.60 2.47 0.03 0.00 0.71 0.00 0.00 52.55 56.36 3llx s ASP 12 Cb -0.28 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.02 3llx s ASP 12 CO 0.34 -1.45 0.52 0.42 0.21 0.00 0.00 175.17 175.22 3llx s THR 13 N -1.51 4.62 0.52 -1.27 -4.23 -1.26 -4.43 115.64 108.08 3llx s THR 13 Ca 0.73 -0.70 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 3llx s THR 13 Cb -0.33 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 69.78 3llx s THR 13 CO 0.37 -0.36 0.97 -2.16 -0.54 0.00 0.00 174.62 172.89 3llx s PRO 14 N -4.28 3.88 0.08 3.99 0.04 -1.26 -4.98 135.00 132.48 3llx s PRO 14 Ca 0.42 0.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 3llx s PRO 14 Cb -0.10 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3llx s PRO 14 CO 0.34 -0.28 0.21 1.52 0.04 0.00 0.00 177.00 178.83 3llx s TYR 15 N -2.67 0.11 -0.06 0.56 -0.85 -0.84 -4.99 117.35 108.61 3llx s TYR 15 Ca 0.57 -0.49 -0.16 0.00 -0.52 0.00 0.00 57.07 56.47 3llx s TYR 15 Cb -0.10 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3llx s TYR 15 CO 0.34 -0.54 0.43 -1.17 -1.52 0.00 0.00 175.55 173.10 3llx s LEU 16 N -2.73 4.38 -0.12 -3.49 2.96 -1.26 -0.57 118.68 117.85 3llx s LEU 16 Ca 0.03 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3llx s LEU 16 Cb 0.04 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 44.12 3llx s LEU 16 CO -0.10 0.18 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.73 3llx s LEU 17 N -0.28 1.75 -0.16 -0.68 2.96 0.47 -0.66 118.68 122.08 3llx s LEU 17 Ca 0.24 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3llx s LEU 17 Cb -0.16 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3llx s LEU 17 CO 0.12 0.00 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 3llx s ILE 18 N 1.12 3.90 -0.54 6.68 -1.09 0.31 -1.68 121.20 129.89 3llx s ILE 18 Ca -0.03 -0.35 -0.22 0.00 -2.23 0.00 0.00 60.65 57.82 3llx s ILE 18 Cb -0.14 -2.71 0.05 0.00 -1.58 0.00 0.00 42.46 38.08 3llx s ILE 18 CO -0.04 0.49 0.80 -0.62 -1.23 0.00 0.00 174.94 174.34 3llx s ASP 19 N 0.43 6.28 0.20 3.58 -1.08 0.24 -0.51 116.67 125.82 3llx s ASP 19 Ca -0.03 -0.64 -0.11 0.00 -0.52 0.00 0.00 52.55 51.24 3llx s ASP 19 Cb -0.14 -2.37 0.14 0.00 -1.46 0.00 0.00 42.92 39.09 3llx s ASP 19 CO 0.03 -1.10 1.87 -0.08 0.52 0.00 0.00 175.17 176.42 3llx h GLU 20 N 9.19 0.95 -0.42 4.34 4.81 -1.32 -2.05 114.58 130.08 3llx h GLU 20 Ca -0.27 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3llx h GLU 20 Cb 1.08 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3llx h GLU 20 CO 1.04 0.63 0.23 0.00 -0.73 0.00 0.00 179.01 180.18 3llx h ALA 21 N 1.26 0.52 -0.58 2.92 0.00 -1.93 0.26 119.26 121.71 3llx h ALA 21 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3llx h ALA 21 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3llx h ALA 21 CO -0.06 -0.11 -0.04 0.87 0.00 0.00 0.00 179.25 179.91 3llx h LYS 22 N 0.46 1.06 -0.47 0.00 1.57 -1.90 -1.78 116.57 115.52 3llx h LYS 22 Ca 0.17 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3llx h LYS 22 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3llx h LYS 22 CO -0.10 1.06 0.08 1.25 -0.57 0.00 0.00 179.45 181.17 3llx h LEU 23 N 0.95 0.74 -0.81 2.94 6.46 -1.15 -0.57 115.31 123.87 3llx h LEU 23 Ca 0.16 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3llx h LEU 23 Cb 0.61 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 3llx h LEU 23 CO 0.04 0.81 0.43 0.11 -0.62 0.00 0.00 178.44 179.20 3llx h LYS 24 N 0.64 1.13 -0.06 1.25 1.57 -0.79 -1.41 116.57 118.90 3llx h LYS 24 Ca 0.14 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3llx h LYS 24 Cb 0.38 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3llx h LYS 24 CO 0.01 0.84 -0.58 0.66 -0.57 0.00 0.00 179.45 179.81 3llx h SER 25 N 1.12 0.21 -0.47 0.86 4.64 -1.04 -0.81 113.55 118.06 3llx h SER 25 Ca 0.28 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3llx h SER 25 Cb 0.05 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3llx h SER 25 CO -0.04 0.75 0.01 0.78 -0.87 0.00 0.00 176.83 177.46 3llx h ASN 26 N 0.14 0.81 -0.37 4.97 2.35 -0.93 -2.30 115.58 120.25 3llx h ASN 26 Ca -0.00 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3llx h ASN 26 Cb 1.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3llx h ASN 26 CO 0.09 0.91 0.04 0.40 -1.65 0.00 0.00 177.43 177.22 3llx h ILE 27 N 0.69 1.25 -0.62 2.81 2.04 -1.10 -2.99 117.51 119.58 3llx h ILE 27 Ca 0.14 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3llx h ILE 27 Cb 0.49 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3llx h ILE 27 CO 0.02 0.30 0.18 -1.13 0.00 0.00 0.00 178.15 177.52 3llx h ASN 28 N 0.46 0.91 -0.24 1.72 -1.24 -1.16 -2.22 115.58 113.82 3llx h ASN 28 Ca 0.11 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 56.93 3llx h ASN 28 Cb 0.40 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 3llx h ASN 28 CO 0.01 0.89 0.08 0.22 -1.29 0.00 0.00 177.43 177.34 3llx h TYR 29 N 0.89 0.15 -0.22 0.67 3.20 -1.33 -1.73 116.97 118.60 3llx h TYR 29 Ca 0.20 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 3llx h TYR 29 Cb 0.31 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3llx h TYR 29 CO 0.02 0.07 -0.59 1.25 -1.64 0.00 0.00 178.16 177.27 3llx h LEU 30 N 0.19 0.90 -0.26 2.82 5.85 -1.40 -1.67 115.31 121.75 3llx h LEU 30 Ca 0.10 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3llx h LEU 30 Cb 0.07 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 3llx h LEU 30 CO -0.11 1.32 -0.06 0.50 -0.34 0.00 0.00 178.44 179.75 3llx h LYS 31 N 0.54 0.01 -0.33 1.25 3.64 -1.28 -0.57 116.57 119.82 3llx h LYS 31 Ca -0.01 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3llx h LYS 31 Cb 1.21 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3llx h LYS 31 CO 0.13 0.00 0.16 0.37 -2.27 0.00 0.00 179.45 177.84 3llx h GLN 32 N 0.01 0.32 0.35 1.90 -0.00 -1.26 -1.94 115.11 114.48 3llx h GLN 32 Ca 0.12 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 3llx h GLN 32 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.60 3llx h GLN 32 CO -0.26 0.21 -0.17 -0.09 0.00 0.00 0.00 178.83 178.52 3llx h ARG 33 N 0.33 -0.45 -0.70 1.69 2.43 -0.80 -0.18 114.38 116.69 3llx h ARG 33 Ca 0.14 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3llx h ARG 33 Cb 0.06 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3llx h ARG 33 CO -0.11 -0.24 0.29 0.28 -1.51 0.00 0.00 179.97 178.68 3llx h VAL 34 N -0.56 1.24 -0.28 0.20 2.07 -1.12 -2.19 116.25 115.62 3llx h VAL 34 Ca -0.05 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 3llx h VAL 34 Cb 0.42 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3llx h VAL 34 CO 0.08 0.30 -0.18 -0.33 0.02 0.00 0.00 177.57 177.46 3llx h GLU 35 N 0.99 0.50 0.00 1.57 5.08 -1.21 -2.04 114.58 119.47 3llx h GLU 35 Ca 0.23 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3llx h GLU 35 Cb 0.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3llx h GLU 35 CO -0.02 0.66 -0.08 0.66 -1.00 0.00 0.00 179.01 179.23 3llx h SER 36 N 0.45 0.00 -0.55 1.42 4.64 -0.50 -2.24 113.55 116.76 3llx h SER 36 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3llx h SER 36 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3llx h SER 36 CO 0.04 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 3llx n LEU 37 N -3.33 4.14 0.00 5.97 4.77 -0.79 -4.95 117.00 122.81 3llx n LEU 37 Ca -0.01 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 3llx n LEU 37 Cb 0.27 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3llx n LEU 37 CO 0.28 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3llx n GLY 38 N 1.01 0.55 0.00 -0.72 0.00 -0.84 -2.62 105.19 102.57 3llx n GLY 38 Ca 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3llx n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3llx n SER 39 N 1.48 0.58 -3.91 1.61 2.88 -1.03 -4.41 113.62 110.82 3llx n SER 39 Ca 0.00 -0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 57.21 3llx n SER 39 Cb 0.02 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 3llx n SER 39 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3llx s HIS 40 N -0.73 0.26 0.20 0.66 3.76 -1.25 -3.84 115.29 114.33 3llx s HIS 40 Ca 0.00 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.10 3llx s HIS 40 Cb 0.00 -0.12 -0.07 0.00 1.11 0.00 0.00 32.58 33.50 3llx s HIS 40 CO 0.00 -0.54 0.55 -0.51 -0.85 0.00 0.00 174.74 173.39 3llx s LEU 41 N -2.89 4.23 -0.65 0.89 1.43 -1.26 -0.84 118.68 119.59 3llx s LEU 41 Ca 0.07 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 3llx s LEU 41 Cb 0.05 -3.52 0.16 0.00 0.03 0.00 0.00 46.19 42.91 3llx s LEU 41 CO -0.09 -0.01 0.43 -0.60 0.23 0.00 0.00 176.35 176.31 3llx s ARG 42 N -2.50 2.37 0.60 1.70 3.52 0.06 -4.75 118.95 119.95 3llx s ARG 42 Ca 0.44 -3.04 -0.20 0.00 -0.13 0.00 0.00 55.73 52.80 3llx s ARG 42 Cb -0.13 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3llx s ARG 42 CO 0.20 -1.22 1.29 -2.30 -0.81 0.00 0.00 175.30 172.47 3llx n PRO 43 N 2.49 1.34 -3.49 5.12 -0.02 -1.25 -4.16 135.00 135.02 3llx n PRO 43 Ca 0.14 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 3llx n PRO 43 Cb 0.34 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 3llx n PRO 43 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3llx s HIS 44 N -1.35 3.41 -1.32 6.00 2.46 0.34 -0.50 115.29 124.33 3llx s HIS 44 Ca 0.77 0.56 -0.10 0.00 0.47 0.00 0.00 55.06 56.76 3llx s HIS 44 Cb -0.40 -2.41 0.14 0.00 -0.13 0.00 0.00 32.58 29.78 3llx s HIS 44 CO 0.45 0.11 1.98 1.28 -2.47 0.00 0.00 174.74 176.10 3llx n LEU 45 N 4.03 6.82 0.00 8.88 4.77 -0.25 -4.31 117.00 136.94 3llx n LEU 45 Ca -0.11 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 3llx n LEU 45 Cb 0.52 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3llx n LEU 45 CO 0.39 1.40 0.00 0.41 -1.33 0.00 0.00 177.39 178.26 3llx n THR 47 N 3.50 0.00 -0.10 -5.08 -1.04 -1.26 -0.92 114.28 109.38 3llx n THR 47 Ca 0.44 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.34 3llx n THR 47 Cb 0.36 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.72 3llx n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3llx n LEU 48 N 0.00 0.48 -3.90 -4.42 4.32 -1.26 -4.59 117.00 107.63 3llx n LEU 48 Ca 0.00 -0.02 -0.27 0.00 -0.02 0.00 0.00 56.01 55.70 3llx n LEU 48 Cb 0.00 0.26 0.01 0.00 -1.62 0.00 0.00 43.42 42.07 3llx n LEU 48 CO 0.00 0.55 -0.06 0.54 -1.22 0.00 0.00 177.39 177.20 3llx n ARG 49 N -2.80 -4.42 -4.43 3.23 1.74 -0.09 -4.74 116.66 105.15 3llx n ARG 49 Ca -0.34 0.52 -0.26 0.00 -0.77 0.00 0.00 57.85 57.00 3llx n ARG 49 Cb 1.11 -5.08 -0.11 0.00 -1.02 0.00 0.00 32.46 27.36 3llx n ARG 49 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3llx s THR 50 N -3.59 2.46 0.28 0.55 -4.23 -1.26 -0.34 115.64 109.50 3llx s THR 50 Ca 0.29 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3llx s THR 50 Cb -0.15 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.64 3llx s THR 50 CO 0.85 -0.20 1.84 -0.07 -0.54 0.00 0.00 174.62 176.50 3llx h LEU 51 N 2.89 0.82 -1.10 4.79 3.38 -1.94 -2.92 115.31 121.23 3llx h LEU 51 Ca -0.44 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 3llx h LEU 51 Cb 1.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3llx h LEU 51 CO 0.52 0.77 0.09 -0.33 0.09 0.00 0.00 178.44 179.58 3llx h GLU 52 N 0.87 0.73 -0.87 1.13 3.07 -1.96 -2.68 114.58 114.87 3llx h GLU 52 Ca 0.20 -0.15 0.03 0.00 -0.50 0.00 0.00 59.36 58.94 3llx h GLU 52 Cb 0.24 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 3llx h GLU 52 CO -0.01 0.68 0.57 0.00 -1.40 0.00 0.00 179.01 178.85 3llx h ALA 53 N 1.40 1.45 -0.47 3.43 0.00 -1.93 -1.32 119.26 121.82 3llx h ALA 53 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3llx h ALA 53 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3llx h ALA 53 CO 0.00 0.47 0.17 0.00 0.00 0.00 0.00 179.25 179.89 3llx h ALA 54 N 1.49 1.42 -0.40 0.00 0.00 -1.54 -1.79 119.26 118.45 3llx h ALA 54 Ca 0.34 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3llx h ALA 54 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3llx h ALA 54 CO -0.10 0.43 -0.05 0.78 0.00 0.00 0.00 179.25 180.31 3llx h GLY 55 N 0.83 0.72 1.61 0.00 0.00 -1.24 -0.66 103.07 104.32 3llx h GLY 55 Ca 0.16 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 3llx h GLY 55 CO -0.01 0.45 -0.45 -0.97 0.00 0.00 0.00 176.54 175.56 3llx h TYR 56 N 0.62 0.52 0.00 5.60 0.05 -1.17 -3.34 116.97 119.25 3llx h TYR 56 Ca 0.12 -0.16 -0.19 0.00 0.05 0.00 0.00 58.73 58.55 3llx h TYR 56 Cb 0.47 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 3llx h TYR 56 CO 0.02 0.81 -1.40 -0.07 -1.05 0.00 0.00 178.16 176.47 3llx h LEU 57 N 0.35 0.00 -8.79 3.88 3.38 -1.12 -3.48 115.31 109.53 3llx h LEU 57 Ca 0.02 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.31 3llx h LEU 57 Cb 0.94 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.43 3llx h LEU 57 CO 0.08 0.68 -0.79 -0.76 0.09 0.00 0.00 178.44 177.74 3llx s LEU 58 N -5.93 2.61 0.00 1.67 1.43 -0.28 -4.85 118.68 113.34 3llx s LEU 58 Ca -0.03 -0.27 0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3llx s LEU 58 Cb 0.08 -1.53 1.23 0.00 0.03 0.00 0.00 46.19 46.00 3llx s LEU 58 CO 0.81 0.30 1.90 -0.90 0.23 0.00 0.00 176.35 178.69 3llx n ASP 59 N 2.62 0.08 -3.62 2.29 5.68 -1.26 -4.77 116.55 117.57 3llx n ASP 59 Ca -0.17 0.23 -0.04 0.00 -0.50 0.00 0.00 54.79 54.31 3llx n ASP 59 Cb 0.52 -0.36 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3llx n ASP 59 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3llx s SER 60 N -2.88 -0.13 0.53 -1.12 1.04 -1.26 -5.00 113.70 104.88 3llx s SER 60 Ca 0.18 -0.53 0.30 0.00 0.48 0.00 0.00 55.95 56.38 3llx s SER 60 Cb 0.19 0.53 1.38 0.00 0.10 0.00 0.00 66.02 68.22 3llx s SER 60 CO 0.53 -1.01 2.01 0.11 0.98 0.00 0.00 173.24 175.86 3llx h LYS 61 N 2.00 0.00 -0.01 4.02 1.79 -1.90 -2.37 116.57 120.10 3llx h LYS 61 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3llx h LYS 61 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3llx h LYS 61 CO 0.29 0.10 -0.20 -1.13 -1.08 0.00 0.00 179.45 177.42 3llx n SER 62 N -3.32 1.47 -4.76 0.86 3.41 -1.26 -1.87 113.62 108.15 3llx n SER 62 Ca -0.01 -1.24 -0.38 0.00 -0.26 0.00 0.00 58.87 56.98 3llx n SER 62 Cb 0.30 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 3llx n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3llx s ALA 63 N -2.32 3.00 0.27 7.33 0.00 -0.89 -4.54 121.76 124.61 3llx s ALA 63 Ca 0.27 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 3llx s ALA 63 Cb 0.20 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 3llx s ALA 63 CO 0.46 -0.92 1.29 -1.25 0.00 0.00 0.00 175.76 175.34 3llx s PRO 64 N -2.64 4.40 0.15 0.00 0.04 -1.26 -4.53 135.00 131.16 3llx s PRO 64 Ca 0.64 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.80 3llx s PRO 64 Cb -0.35 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 3llx s PRO 64 CO 0.43 -0.18 0.02 0.00 0.04 0.00 0.00 177.00 177.30 3llx s ALA 65 N -0.57 1.13 0.00 8.56 0.00 -0.18 -3.89 121.76 126.81 3llx s ALA 65 Ca 0.52 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 51.03 3llx s ALA 65 Cb -0.38 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3llx s ALA 65 CO 0.45 -0.38 -0.22 0.99 0.00 0.00 0.00 175.76 176.60 3llx s THR 66 N -3.81 2.46 0.12 0.00 2.01 0.34 -1.14 115.64 115.63 3llx s THR 66 Ca 0.23 -1.11 0.04 0.00 0.31 0.00 0.00 61.69 61.16 3llx s THR 66 Cb 0.07 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3llx s THR 66 CO 0.02 0.48 -0.11 0.68 -0.69 0.00 0.00 174.62 175.00 3llx s VAL 67 N -0.76 1.09 -1.19 3.82 -7.23 0.10 -1.09 120.40 115.14 3llx s VAL 67 Ca 0.12 -1.79 0.14 0.00 -1.81 0.00 0.00 61.98 58.63 3llx s VAL 67 Cb -0.10 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 3llx s VAL 67 CO 0.01 -0.60 0.74 -1.54 -0.31 0.00 0.00 175.10 173.41 3llx n SER 68 N 0.30 1.37 -3.75 4.85 3.41 -1.26 -1.44 113.62 117.10 3llx n SER 68 Ca -0.14 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.18 3llx n SER 68 Cb 0.59 0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 3llx n SER 68 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3llx s THR 69 N -1.75 0.10 -0.20 6.66 -4.23 -1.26 -4.80 115.64 110.17 3llx s THR 69 Ca 0.11 -0.84 0.28 0.00 -1.18 0.00 0.00 61.69 60.06 3llx s THR 69 Cb 0.11 -1.18 0.36 0.00 1.34 0.00 0.00 72.50 73.13 3llx s THR 69 CO 0.37 -0.46 1.80 -0.07 -0.54 0.00 0.00 174.62 175.71 3llx h LEU 70 N 2.71 0.00 -0.18 4.79 3.38 -1.92 -1.99 115.31 122.10 3llx h LEU 70 Ca -0.33 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.64 3llx h LEU 70 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3llx h LEU 70 CO 0.50 0.00 0.11 0.00 0.09 0.00 0.00 178.44 179.14 3llx h ALA 71 N 2.03 0.23 -0.17 1.53 0.00 -1.84 0.34 119.26 121.37 3llx h ALA 71 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3llx h ALA 71 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3llx h ALA 71 CO 0.00 -0.31 0.09 0.93 0.00 0.00 0.00 179.25 179.97 3llx h GLU 72 N 0.23 0.24 -0.52 0.00 5.08 -1.83 -1.92 114.58 115.85 3llx h GLU 72 Ca 0.07 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3llx h GLU 72 Cb -0.01 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 3llx h GLU 72 CO -0.03 0.25 0.21 0.00 -1.00 0.00 0.00 179.01 178.43 3llx h ALA 73 N 0.98 0.65 -0.58 3.43 0.00 -1.07 -0.39 119.26 122.28 3llx h ALA 73 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3llx h ALA 73 Cb 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3llx h ALA 73 CO -0.01 -0.18 0.12 0.93 0.00 0.00 0.00 179.25 180.11 3llx h GLU 74 N 0.40 0.94 -0.21 0.00 5.08 -0.86 -0.12 114.58 119.81 3llx h GLU 74 Ca 0.25 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3llx h GLU 74 Cb 0.25 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3llx h GLU 74 CO -0.24 0.88 0.01 0.00 -1.00 0.00 0.00 179.01 178.67 3llx h ALA 75 N 1.02 0.28 -0.26 3.43 0.00 -0.72 -1.33 119.26 121.67 3llx h ALA 75 Ca 0.18 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3llx h ALA 75 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3llx h ALA 75 CO 0.01 -0.02 -0.36 1.88 0.00 0.00 0.00 179.25 180.76 3llx h TYR 76 N 0.13 0.69 -0.70 0.00 0.05 -1.05 -2.27 116.97 113.82 3llx h TYR 76 Ca 0.06 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 3llx h TYR 76 Cb 0.37 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 3llx h TYR 76 CO 0.03 0.87 0.33 0.00 -1.05 0.00 0.00 178.16 178.34 3llx h ALA 77 N 1.12 0.90 -0.31 3.88 0.00 -0.93 -1.09 119.26 122.82 3llx h ALA 77 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3llx h ALA 77 Cb 0.85 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3llx h ALA 77 CO 0.07 0.46 0.11 -0.22 0.00 0.00 0.00 179.25 179.67 3llx h LYS 78 N 0.97 0.44 0.00 0.00 3.64 -0.96 -0.76 116.57 119.89 3llx h LYS 78 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3llx h LYS 78 Cb 0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3llx h LYS 78 CO -0.03 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 3llx n ALA 79 N -2.48 2.38 0.00 5.00 0.00 -0.88 -4.91 120.51 119.62 3llx n ALA 79 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3llx n ALA 79 Cb 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3llx n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llx n GLY 80 N 0.85 0.79 3.72 0.00 0.00 -0.29 -5.07 105.19 105.18 3llx n GLY 80 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3llx n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3llx s TYR 81 N -2.00 3.68 -0.15 1.61 2.02 -0.46 -4.73 117.35 117.31 3llx s TYR 81 Ca 0.00 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 3llx s TYR 81 Cb 0.00 -2.99 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 3llx s TYR 81 CO 0.00 0.09 0.74 0.25 -1.57 0.00 0.00 175.55 175.06 3llx n THR 82 N 3.53 0.39 -3.63 -0.71 -2.24 -0.78 -4.04 114.28 106.80 3llx n THR 82 Ca 0.02 -0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 3llx n THR 82 Cb 0.51 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 3llx n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3llx s ASP 83 N -0.47 3.62 -0.09 3.42 -1.08 -1.26 0.08 116.67 120.89 3llx s ASP 83 Ca 0.02 -1.88 -0.01 0.00 -0.52 0.00 0.00 52.55 50.16 3llx s ASP 83 Cb 0.01 -0.69 0.03 0.00 -1.46 0.00 0.00 42.92 40.82 3llx s ASP 83 CO 0.02 -0.37 -0.01 -0.76 0.52 0.00 0.00 175.17 174.57 3llx s LEU 84 N 1.35 0.76 -0.34 -1.34 1.43 -0.82 -1.01 118.68 118.72 3llx s LEU 84 Ca 0.13 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 3llx s LEU 84 Cb -0.20 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 3llx s LEU 84 CO -0.17 -0.19 0.43 -0.22 0.23 0.00 0.00 176.35 176.43 3llx s LEU 85 N 1.91 4.39 -0.76 1.79 2.96 -0.29 -0.59 118.68 128.09 3llx s LEU 85 Ca 0.04 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 3llx s LEU 85 Cb -0.13 -2.45 0.06 0.00 0.50 0.00 0.00 46.19 44.18 3llx s LEU 85 CO -0.06 -0.40 1.15 -0.47 -1.32 0.00 0.00 176.35 175.26 3llx s TYR 86 N 2.18 2.56 -1.07 5.38 5.04 0.04 -0.73 117.35 130.75 3llx s TYR 86 Ca 0.15 -0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 3llx s TYR 86 Cb -0.16 -4.46 0.24 0.00 0.35 0.00 0.00 41.96 37.93 3llx s TYR 86 CO 0.12 -1.82 2.08 0.00 -1.34 0.00 0.00 175.55 174.59 3llx n ALA 87 N 8.32 6.38 -3.44 3.97 0.00 -0.52 -3.74 120.51 131.48 3llx n ALA 87 Ca 0.06 -4.30 -0.13 0.00 0.00 0.00 0.00 53.44 49.07 3llx n ALA 87 Cb 0.48 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 3llx n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3llx s VAL 88 N -3.28 -0.03 0.03 0.00 1.01 -1.26 -4.94 120.40 111.93 3llx s VAL 88 Ca 0.46 0.11 -0.38 0.00 0.00 0.00 0.00 61.98 62.17 3llx s VAL 88 Cb 0.22 -0.18 -0.18 0.00 0.00 0.00 0.00 36.38 36.24 3llx s VAL 88 CO -0.15 0.05 1.25 0.61 0.00 0.00 0.00 175.10 176.85 3llx n GLY 89 N 3.73 0.18 3.73 4.51 0.00 -1.26 -4.44 105.19 111.64 3llx n GLY 89 Ca -0.21 0.74 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 3llx n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3llx s ILE 90 N 0.40 4.00 -0.05 -0.61 1.10 -0.08 -5.01 121.20 120.95 3llx s ILE 90 Ca 0.88 1.62 -0.25 0.00 -0.51 0.00 0.00 60.65 62.39 3llx s ILE 90 Cb -1.09 -4.04 -0.04 0.00 0.15 0.00 0.00 42.46 37.45 3llx s ILE 90 CO 0.52 0.23 0.77 0.00 -2.11 0.00 0.00 174.94 174.35 3llx s ALA 91 N 0.16 3.29 0.44 1.50 0.00 -1.26 -4.96 121.76 120.93 3llx s ALA 91 Ca 0.52 0.23 0.19 0.00 0.00 0.00 0.00 51.96 52.90 3llx s ALA 91 Cb -0.29 -3.05 1.14 0.00 0.00 0.00 0.00 23.12 20.92 3llx s ALA 91 CO 0.33 -0.13 1.89 -1.35 0.00 0.00 0.00 175.76 176.50 3llx h PRO 92 N 6.76 0.33 0.00 0.00 0.11 -1.96 0.01 132.00 137.25 3llx h PRO 92 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3llx h PRO 92 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3llx h PRO 92 CO 0.75 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 3llx n ALA 93 N -2.55 1.61 1.16 -0.75 0.00 -1.26 -1.69 120.51 117.04 3llx n ALA 93 Ca 0.17 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.83 3llx n ALA 93 Cb 0.66 -1.37 0.50 0.00 0.00 0.00 0.00 19.45 19.24 3llx n ALA 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3llx n LYS 94 N -2.19 0.29 -0.18 0.00 5.02 -0.01 -4.16 118.16 116.93 3llx n LYS 94 Ca 0.02 -0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3llx n LYS 94 Cb 0.21 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.06 3llx n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3llx h LEU 95 N 0.25 0.69 -1.22 -0.35 3.38 -1.42 -1.69 115.31 114.95 3llx h LEU 95 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3llx h LEU 95 Cb 0.45 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3llx h LEU 95 CO 0.00 0.46 0.53 0.07 0.09 0.00 0.00 178.44 179.59 3llx h LYS 96 N 0.79 1.04 -0.13 1.13 2.10 -1.80 0.10 116.57 119.80 3llx h LYS 96 Ca 0.30 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.71 3llx h LYS 96 Cb 0.17 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 3llx h LYS 96 CO -0.09 0.69 -0.64 0.00 -2.00 0.00 0.00 179.45 177.41 3llx h ARG 97 N 1.07 0.49 -0.26 0.07 3.08 -1.60 -1.32 114.38 115.91 3llx h ARG 97 Ca 0.29 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3llx h ARG 97 Cb -0.12 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3llx h ARG 97 CO -0.07 0.97 -0.01 0.28 -1.07 0.00 0.00 179.97 180.07 3llx h VAL 98 N 0.35 1.26 -0.65 2.04 2.07 -0.91 -2.74 116.25 117.68 3llx h VAL 98 Ca -0.01 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3llx h VAL 98 Cb 1.20 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3llx h VAL 98 CO 0.12 0.30 0.41 0.00 0.02 0.00 0.00 177.57 178.41 3llx h ALA 99 N 0.81 0.84 -0.96 1.67 0.00 -0.69 -1.62 119.26 119.30 3llx h ALA 99 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3llx h ALA 99 Cb 0.44 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3llx h ALA 99 CO 0.02 0.17 0.62 0.00 0.00 0.00 0.00 179.25 180.06 3llx h ALA 100 N 1.27 1.33 -0.22 0.00 0.00 -1.15 -0.14 119.26 120.36 3llx h ALA 100 Ca 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3llx h ALA 100 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3llx h ALA 100 CO -0.10 0.40 -0.54 1.25 0.00 0.00 0.00 179.25 180.27 3llx h LEU 101 N 1.13 0.71 -0.59 0.00 5.85 -1.11 -2.77 115.31 118.53 3llx h LEU 101 Ca 0.42 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3llx h LEU 101 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3llx h LEU 101 CO -0.17 1.11 -0.15 0.03 -0.34 0.00 0.00 178.44 178.92 3llx h ARG 102 N 0.50 0.96 -0.59 1.25 3.08 -0.88 -1.88 114.38 116.82 3llx h ARG 102 Ca 0.01 -0.37 0.07 0.00 0.07 0.00 0.00 59.98 59.77 3llx h ARG 102 Cb 1.09 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 3llx h ARG 102 CO 0.11 1.04 0.39 1.96 -1.07 0.00 0.00 179.97 182.40 3llx h GLN 103 N 0.85 0.51 -0.47 0.04 4.20 -0.96 -1.77 115.11 117.51 3llx h GLN 103 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3llx h GLN 103 Cb 0.70 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3llx h GLN 103 CO 0.05 0.34 0.00 1.04 -0.67 0.00 0.00 178.83 179.59 3llx n GLN 104 N -4.48 1.45 -0.94 1.46 6.02 -0.81 -4.88 117.38 115.20 3llx n GLN 104 Ca 0.09 -0.49 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 3llx n GLN 104 Cb 0.27 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3llx n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3llx n GLY 105 N 0.45 0.47 3.64 1.08 0.00 -0.66 -5.03 105.19 105.14 3llx n GLY 105 Ca 0.04 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3llx n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3llx s ILE 106 N -2.00 5.17 -1.31 -0.61 -1.09 -0.77 -4.90 121.20 115.69 3llx s ILE 106 Ca 0.00 0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 58.94 3llx s ILE 106 Cb 0.00 -3.73 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3llx s ILE 106 CO 0.00 0.20 1.91 -3.20 -1.23 0.00 0.00 174.94 172.62 3llx n ASN 107 N 4.89 4.33 -4.63 3.58 5.15 0.11 -3.80 115.26 124.89 3llx n ASN 107 Ca -0.08 -2.86 -0.42 0.00 -0.60 0.00 0.00 54.58 50.62 3llx n ASN 107 Cb 0.51 -1.69 -0.04 0.00 -0.53 0.00 0.00 39.78 38.03 3llx n ASN 107 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3llx s LEU 108 N 4.13 4.07 0.06 1.20 0.20 -1.26 -1.95 118.68 125.14 3llx s LEU 108 Ca 0.54 0.91 -0.04 0.00 0.69 0.00 0.00 54.13 56.23 3llx s LEU 108 Cb 0.07 -3.20 -0.05 0.00 -0.43 0.00 0.00 46.19 42.58 3llx s LEU 108 CO 0.04 -0.60 0.28 -1.00 -0.29 0.00 0.00 176.35 174.78 3llx s HIS 109 N 2.99 3.53 0.41 5.38 3.76 0.24 -4.38 115.29 127.21 3llx s HIS 109 Ca 0.35 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.79 3llx s HIS 109 Cb -0.14 -1.91 -0.07 0.00 1.11 0.00 0.00 32.58 31.56 3llx s HIS 109 CO 0.10 0.55 0.05 0.96 -0.85 0.00 0.00 174.74 175.56 3llx s ILE 110 N -1.48 2.07 -0.03 0.60 -4.36 -0.37 -0.78 121.20 116.84 3llx s ILE 110 Ca 0.34 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 3llx s ILE 110 Cb -0.13 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.59 3llx s ILE 110 CO 0.23 0.00 -0.12 -0.22 0.24 0.00 0.00 174.94 175.06 3llx s LEU 111 N -3.76 1.82 0.15 0.37 2.96 -1.25 -0.54 118.68 118.44 3llx s LEU 111 Ca 0.36 -0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 3llx s LEU 111 Cb 0.08 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 46.05 3llx s LEU 111 CO 0.19 0.10 0.34 -1.48 -1.32 0.00 0.00 176.35 174.18 3llx s LEU 112 N 0.16 0.74 0.00 -0.68 0.05 -0.54 -0.90 118.68 117.50 3llx s LEU 112 Ca -0.04 -0.64 0.00 0.00 0.05 0.00 0.00 54.13 53.50 3llx s LEU 112 Cb -0.10 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 3llx s LEU 112 CO 0.01 -0.89 0.64 -0.90 -0.55 0.00 0.00 176.35 174.65 3llx n ASP 113 N -0.22 0.00 -3.94 1.48 5.75 -1.26 -0.84 116.55 117.52 3llx n ASP 113 Ca -0.11 -1.39 -0.13 0.00 -0.01 0.00 0.00 54.79 53.16 3llx n ASP 113 Cb 0.63 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.51 3llx n ASP 113 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3llx s ASN 114 N -0.39 0.32 0.46 -1.12 3.84 -1.26 -4.73 114.94 112.06 3llx s ASN 114 Ca 0.00 -0.18 0.12 0.00 0.21 0.00 0.00 52.86 53.01 3llx s ASN 114 Cb 0.00 0.00 1.05 0.00 -0.55 0.00 0.00 41.25 41.75 3llx s ASN 114 CO 0.00 -0.06 2.09 -0.29 -2.79 0.00 0.00 177.10 176.05 3llx h ILE 115 N 4.95 1.06 0.00 -5.21 6.09 -1.98 -2.18 117.51 120.24 3llx h ILE 115 Ca -0.28 -0.16 -0.12 0.00 -1.37 0.00 0.00 64.86 62.93 3llx h ILE 115 Cb 1.20 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 3llx h ILE 115 CO 0.48 0.07 -0.57 0.71 -3.07 0.00 0.00 178.15 175.77 3llx h THR 116 N 0.26 1.24 -0.33 2.19 1.35 -1.99 0.20 112.91 115.83 3llx h THR 116 Ca 0.07 -2.08 -0.07 0.00 -0.55 0.00 0.00 66.41 63.78 3llx h THR 116 Cb 0.01 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3llx h THR 116 CO -0.01 0.56 -0.06 1.56 -0.25 0.00 0.00 175.52 177.31 3llx h GLN 117 N 0.00 0.62 -0.64 4.72 4.20 -1.83 -2.03 115.11 120.15 3llx h GLN 117 Ca -0.01 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3llx h GLN 117 Cb 1.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 3llx h GLN 117 CO 0.07 0.79 0.29 0.00 -0.67 0.00 0.00 178.83 179.32 3llx h ALA 118 N 0.81 0.82 -0.56 3.87 0.00 -1.09 -1.41 119.26 121.71 3llx h ALA 118 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3llx h ALA 118 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3llx h ALA 118 CO 0.03 0.40 0.07 0.37 0.00 0.00 0.00 179.25 180.12 3llx h GLN 119 N 0.88 0.91 -0.77 0.00 5.75 -0.99 -1.79 115.11 119.10 3llx h GLN 119 Ca 0.22 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3llx h GLN 119 Cb 0.14 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3llx h GLN 119 CO -0.03 0.86 0.51 0.00 -2.65 0.00 0.00 178.83 177.52 3llx h ALA 120 N 1.22 0.99 0.02 3.38 0.00 -0.90 0.10 119.26 124.07 3llx h ALA 120 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3llx h ALA 120 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3llx h ALA 120 CO 0.01 0.37 -0.01 0.28 0.00 0.00 0.00 179.25 179.90 3llx h VAL 121 N 1.02 1.02 -0.62 0.00 2.07 -0.94 -0.97 116.25 117.82 3llx h VAL 121 Ca 0.29 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3llx h VAL 121 Cb -0.08 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3llx h VAL 121 CO -0.08 0.03 0.41 0.58 0.02 0.00 0.00 177.57 178.53 3llx h VAL 122 N -0.08 1.16 -0.63 2.57 2.07 -1.10 -0.41 116.25 119.83 3llx h VAL 122 Ca -0.00 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3llx h VAL 122 Cb 0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3llx h VAL 122 CO 0.01 0.16 0.05 0.44 0.02 0.00 0.00 177.57 178.25 3llx h ASP 123 N 0.85 1.05 -0.25 0.57 3.32 -0.72 -1.33 116.42 119.92 3llx h ASP 123 Ca 0.23 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3llx h ASP 123 Cb -0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 3llx h ASP 123 CO -0.05 1.08 0.11 0.22 -1.72 0.00 0.00 179.24 178.88 3llx h TYR 124 N 0.99 0.36 -0.66 4.55 5.03 -0.85 -1.30 116.97 125.09 3llx h TYR 124 Ca 0.19 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.52 3llx h TYR 124 Cb 0.51 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.62 3llx h TYR 124 CO 0.04 0.36 0.38 0.00 -1.32 0.00 0.00 178.16 177.62 3llx h ALA 125 N 0.96 0.88 -0.30 1.82 0.00 -0.88 -0.36 119.26 121.38 3llx h ALA 125 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3llx h ALA 125 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3llx h ALA 125 CO -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 3llx h ALA 126 N 1.32 0.41 -0.26 0.00 0.00 -1.08 0.12 119.26 119.76 3llx h ALA 126 Ca 0.29 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3llx h ALA 126 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3llx h ALA 126 CO -0.15 0.19 -0.60 1.49 0.00 0.00 0.00 179.25 180.18 3llx h GLU 127 N 0.33 0.87 -0.01 0.00 4.81 -0.91 -3.35 114.58 116.32 3llx h GLU 127 Ca 0.08 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3llx h GLU 127 Cb 0.49 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3llx h GLU 127 CO 0.02 1.21 -0.07 1.19 -0.73 0.00 0.00 179.01 180.63 3llx n PHE 128 N -3.99 0.00 -2.96 0.92 3.72 -0.17 -5.00 117.46 109.98 3llx n PHE 128 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.21 3llx n PHE 128 Cb 0.65 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.23 3llx n PHE 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3llx n GLY 129 N 0.68 0.02 3.48 1.37 0.00 0.38 -5.01 105.19 106.11 3llx n GLY 129 Ca 0.05 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3llx n GLY 129 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3llx s GLN 130 N -5.54 3.64 0.31 1.61 2.00 -1.00 -5.04 119.66 115.63 3llx s GLN 130 Ca 0.28 -0.53 -0.20 0.00 -2.00 0.00 0.00 55.36 52.91 3llx s GLN 130 Cb -0.12 -2.94 -0.09 0.00 0.80 0.00 0.00 33.01 30.66 3llx s GLN 130 CO 0.34 0.18 0.81 0.16 -0.50 0.00 0.00 175.29 176.28 3llx s ASP 131 N 0.52 7.01 0.17 6.67 -4.77 -1.26 -4.28 116.67 120.73 3llx s ASP 131 Ca -0.03 1.51 0.06 0.00 -3.30 0.00 0.00 52.55 50.78 3llx s ASP 131 Cb -0.14 -2.46 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 3llx s ASP 131 CO 0.03 -0.12 -0.12 -0.36 0.70 0.00 0.00 175.17 175.29 3llx s PHE 132 N -1.79 1.46 -0.18 2.11 0.08 -1.26 -4.99 117.98 113.41 3llx s PHE 132 Ca 0.51 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.90 3llx s PHE 132 Cb -0.14 -0.71 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 3llx s PHE 132 CO 0.19 0.20 -0.16 0.45 -0.10 0.00 0.00 175.22 175.80 3llx s SER 133 N -3.20 3.08 -0.08 1.36 0.15 -1.26 -4.41 113.70 109.33 3llx s SER 133 Ca 0.19 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3llx s SER 133 Cb 0.01 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.99 3llx s SER 133 CO 0.03 -0.05 -0.10 -0.69 1.20 0.00 0.00 173.24 173.63 3llx s VAL 134 N 1.36 1.08 -0.04 4.45 1.01 0.08 -1.24 120.40 127.11 3llx s VAL 134 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3llx s VAL 134 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3llx s VAL 134 CO -0.11 0.36 0.23 -0.36 0.00 0.00 0.00 175.10 175.21 3llx s PHE 135 N 1.10 3.59 -0.19 5.22 0.40 0.30 -0.29 117.98 128.11 3llx s PHE 135 Ca -0.06 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 3llx s PHE 135 Cb -0.14 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 3llx s PHE 135 CO -0.01 0.66 0.37 0.42 0.70 0.00 0.00 175.22 177.36 3llx s ILE 136 N -1.20 5.23 0.12 0.64 1.01 -0.05 -1.47 121.20 125.48 3llx s ILE 136 Ca 0.23 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 3llx s ILE 136 Cb -0.13 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3llx s ILE 136 CO 0.13 0.29 1.16 -0.70 0.00 0.00 0.00 174.94 175.81 3llx s GLU 137 N 1.07 4.50 -0.12 2.79 2.12 -0.02 -4.38 118.70 124.66 3llx s GLU 137 Ca 0.19 1.76 -0.03 0.00 0.36 0.00 0.00 54.97 57.25 3llx s GLU 137 Cb -0.14 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3llx s GLU 137 CO 0.07 -0.11 -0.01 0.42 -0.54 0.00 0.00 175.26 175.10 3llx s ILE 138 N 0.40 4.19 -0.47 -3.70 -1.09 -1.26 -0.64 121.20 118.63 3llx s ILE 138 Ca 0.54 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 58.43 3llx s ILE 138 Cb -0.30 -2.80 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 3llx s ILE 138 CO 0.33 0.55 0.97 -0.62 -1.23 0.00 0.00 174.94 174.94 3llx s ASP 139 N -0.29 6.52 -0.01 3.58 -1.08 0.05 -4.49 116.67 120.95 3llx s ASP 139 Ca 0.06 0.17 0.17 0.00 -0.52 0.00 0.00 52.55 52.42 3llx s ASP 139 Cb -0.12 -2.47 -0.21 0.00 -1.46 0.00 0.00 42.92 38.65 3llx s ASP 139 CO 0.02 -1.11 0.56 -1.54 0.52 0.00 0.00 175.17 173.62 3llx n SER 140 N 7.34 0.92 0.00 -0.34 3.41 -1.26 -4.59 113.62 119.10 3llx n SER 140 Ca 0.07 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3llx n SER 140 Cb 0.49 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 3llx n SER 140 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3llx n ASP 141 N -1.67 0.29 -0.90 4.04 5.75 -1.26 -4.70 116.55 118.09 3llx n ASP 141 Ca 0.01 -1.03 -0.12 0.00 -0.01 0.00 0.00 54.79 53.64 3llx n ASP 141 Cb 0.33 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.37 3llx n ASP 141 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3llx n ASP 142 N -0.01 -5.15 -0.18 -1.12 8.00 -1.26 -4.85 116.55 111.97 3llx n ASP 142 Ca 0.00 0.29 0.05 0.00 0.71 0.00 0.00 54.79 55.84 3llx n ASP 142 Cb 0.21 -3.68 -0.01 0.00 -0.02 0.00 0.00 41.12 37.61 3llx n ASP 142 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3llx n HIS 143 N -2.41 0.00 -0.80 1.24 8.25 -1.26 -5.07 115.22 115.17 3llx n HIS 143 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3llx n HIS 143 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3llx n HIS 143 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3llx n ARG 144 N -0.45 0.00 -0.09 -0.41 1.85 -1.26 -5.09 116.66 111.21 3llx n ARG 144 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 3llx n ARG 144 Cb 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 3llx n ARG 144 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3llx n GLY 145 N 0.00 -0.60 0.00 2.89 0.00 -1.26 -5.03 105.19 101.19 3llx n GLY 145 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3llx n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llx n GLY 146 N 5.00 1.66 3.82 -0.02 0.00 -1.26 -4.13 105.19 110.26 3llx n GLY 146 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 3llx n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3llx s ILE 147 N -2.94 5.09 0.40 -0.61 1.01 0.19 -4.21 121.20 120.13 3llx s ILE 147 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.18 3llx s ILE 147 Cb 0.00 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 3llx s ILE 147 CO 0.00 0.54 1.26 -0.54 0.00 0.00 0.00 174.94 176.20 3llx s LYS 148 N -0.79 4.03 0.56 2.79 -0.14 -1.26 -0.77 119.74 124.16 3llx s LYS 148 Ca 0.23 2.06 0.27 0.00 -1.36 0.00 0.00 55.97 57.17 3llx s LYS 148 Cb -0.16 -2.76 1.47 0.00 -1.68 0.00 0.00 37.83 34.70 3llx s LYS 148 CO 0.12 -0.41 1.99 -1.35 -0.76 0.00 0.00 175.35 174.94 3llx h PRO 149 N 2.74 0.00 -0.04 -1.68 0.11 -1.85 -1.43 132.00 129.84 3llx h PRO 149 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3llx h PRO 149 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3llx h PRO 149 CO 0.63 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 3llx n SER 150 N -4.09 1.87 -4.68 -2.05 3.41 -1.26 -4.53 113.62 102.28 3llx n SER 150 Ca 0.08 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 3llx n SER 150 Cb 0.58 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3llx n SER 150 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3llx s ASP 151 N -1.95 7.06 0.66 4.04 -1.08 -0.54 -4.90 116.67 119.95 3llx s ASP 151 Ca 0.36 1.76 0.44 0.00 -0.52 0.00 0.00 52.55 54.59 3llx s ASP 151 Cb 0.21 -2.56 2.34 0.00 -1.46 0.00 0.00 42.92 41.45 3llx s ASP 151 CO 0.32 -0.59 2.34 0.77 0.52 0.00 0.00 175.17 178.53 3llx h SER 152 N 7.50 0.00 0.82 -0.34 4.64 -1.91 -1.34 113.55 122.92 3llx h SER 152 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3llx h SER 152 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3llx h SER 152 CO 0.89 0.00 0.00 0.07 -0.87 0.00 0.00 176.83 176.92 3llx h LYS 153 N 0.00 0.00 -0.62 4.77 2.10 -1.95 -2.12 116.57 118.75 3llx h LYS 153 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 3llx h LYS 153 Cb 0.05 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.33 3llx h LYS 153 CO 0.00 0.00 0.34 1.25 -2.00 0.00 0.00 179.45 179.04 3llx h LEU 154 N 0.00 0.50 -0.20 7.07 5.85 -1.58 -0.18 115.31 126.77 3llx h LEU 154 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3llx h LEU 154 Cb 0.41 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3llx h LEU 154 CO 0.00 0.33 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.36 3llx h LEU 155 N 0.64 0.35 -0.39 2.25 3.38 -1.57 -2.02 115.31 117.93 3llx h LEU 155 Ca 0.28 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3llx h LEU 155 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3llx h LEU 155 CO -0.17 0.57 0.22 0.74 0.09 0.00 0.00 178.44 179.89 3llx h THR 156 N 0.11 1.02 -0.26 0.22 2.02 -1.44 -0.65 112.91 113.93 3llx h THR 156 Ca 0.06 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3llx h THR 156 Cb 0.40 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3llx h THR 156 CO 0.01 0.08 0.02 0.40 0.37 0.00 0.00 175.52 176.40 3llx h ILE 157 N 0.45 1.24 -0.75 3.11 2.04 -1.04 -1.04 117.51 121.52 3llx h ILE 157 Ca 0.16 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3llx h ILE 157 Cb 0.02 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3llx h ILE 157 CO -0.08 0.27 0.46 0.00 0.00 0.00 0.00 178.15 178.80 3llx h ALA 158 N 0.84 0.95 -0.63 1.87 0.00 -1.19 -2.28 119.26 118.81 3llx h ALA 158 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3llx h ALA 158 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3llx h ALA 158 CO 0.01 0.41 0.24 0.87 0.00 0.00 0.00 179.25 180.78 3llx h LYS 159 N 1.02 0.95 -1.00 0.00 1.57 -1.04 -2.59 116.57 115.47 3llx h LYS 159 Ca 0.27 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3llx h LYS 159 Cb -0.06 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 3llx h LYS 159 CO -0.05 0.81 0.65 1.15 -0.57 0.00 0.00 179.45 181.44 3llx h THR 160 N 0.89 1.12 0.00 -0.16 2.02 -0.83 -2.34 112.91 113.61 3llx h THR 160 Ca 0.21 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3llx h THR 160 Cb 0.23 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3llx h THR 160 CO -0.01 0.22 -0.29 -0.07 0.37 0.00 0.00 175.52 175.74 3llx h LEU 161 N 1.21 0.00 0.00 2.58 3.38 -1.05 -3.48 115.31 117.95 3llx h LEU 161 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3llx h LEU 161 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3llx h LEU 161 CO -0.16 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3llx n GLY 162 N -0.12 3.17 0.28 0.83 0.00 -0.88 -1.32 105.19 107.15 3llx n GLY 162 Ca -0.01 0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.30 3llx n GLY 162 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3llx h GLU 163 N 0.00 0.00 0.00 1.61 9.09 -1.91 -2.29 114.58 121.07 3llx h GLU 163 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3llx h GLU 163 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3llx h GLU 163 CO 0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 3llx n HIS 164 N -2.89 0.62 -2.35 2.06 8.25 -0.44 -4.81 115.22 115.67 3llx n HIS 164 Ca -0.01 0.19 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 3llx n HIS 164 Cb 0.14 -0.80 -0.02 0.00 1.12 0.00 0.00 29.99 30.43 3llx n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3llx s PHE 165 N -3.08 2.66 -0.17 4.41 5.36 -0.87 -0.74 117.98 125.56 3llx s PHE 165 Ca 0.11 0.85 0.09 0.00 -0.96 0.00 0.00 56.93 57.03 3llx s PHE 165 Cb 0.14 -3.65 -0.17 0.00 -0.34 0.00 0.00 43.02 39.00 3llx s PHE 165 CO 0.56 -2.05 -0.03 2.41 -1.46 0.00 0.00 175.22 174.65 3llx n THR 166 N 5.60 1.09 -2.94 0.12 -1.04 0.60 -4.79 114.28 112.92 3llx n THR 166 Ca 0.15 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3llx n THR 166 Cb 0.45 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 3llx n THR 166 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3llx n GLY 167 N 2.22 -0.50 3.72 3.41 0.00 -1.19 -1.42 105.19 111.44 3llx n GLY 167 Ca -0.29 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3llx n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3llx s LEU 168 N 0.00 2.23 0.00 0.99 1.43 -0.22 -0.87 118.68 122.25 3llx s LEU 168 Ca 0.00 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 3llx s LEU 168 Cb 0.00 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.60 3llx s LEU 168 CO 0.00 -0.88 0.00 1.07 0.23 0.00 0.00 176.35 176.77 3llx n THR 170 N -1.21 0.00 -3.97 5.49 5.66 -0.38 -0.97 114.28 118.90 3llx n THR 170 Ca -0.17 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.53 3llx n THR 170 Cb 0.67 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.28 3llx n THR 170 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3llx s HIS 171 N -2.00 2.14 -1.26 1.09 2.46 -1.26 -2.63 115.29 113.83 3llx s HIS 171 Ca 0.00 -1.35 -0.07 0.00 0.47 0.00 0.00 55.06 54.11 3llx s HIS 171 Cb 0.00 -1.53 0.18 0.00 -0.13 0.00 0.00 32.58 31.10 3llx s HIS 171 CO 0.00 -0.69 1.97 0.00 -2.47 0.00 0.00 174.74 173.56 3llx n ALA 172 N 4.76 5.80 0.30 1.58 0.00 -1.26 -4.72 120.51 126.97 3llx n ALA 172 Ca -0.14 -4.33 0.16 0.00 0.00 0.00 0.00 53.44 49.13 3llx n ALA 172 Cb 0.48 -2.80 0.92 0.00 0.00 0.00 0.00 19.45 18.05 3llx n ALA 172 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3llx h GLY 173 N 6.71 0.00 2.00 0.00 0.00 -1.97 -1.70 103.07 108.11 3llx h GLY 173 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3llx h GLY 173 CO 1.53 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 176.74 3llx h GLY 174 N 0.37 0.00 2.00 4.60 0.00 -1.89 -1.63 103.07 106.53 3llx h GLY 174 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3llx h GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.02 3llx h SER 175 N 0.00 0.00 0.44 0.19 4.64 -1.71 -2.14 113.55 114.96 3llx h SER 175 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3llx h SER 175 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3llx h SER 175 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 3llx n TYR 176 N -2.41 0.64 0.89 4.77 4.02 -0.61 -1.72 117.16 122.74 3llx n TYR 176 Ca -0.01 0.28 0.13 0.00 -0.01 0.00 0.00 57.90 58.29 3llx n TYR 176 Cb 0.08 -0.95 0.56 0.00 -0.02 0.00 0.00 39.34 39.01 3llx n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3llx n ALA 177 N -1.73 2.23 -1.86 -0.72 0.00 -0.81 -4.89 120.51 112.74 3llx n ALA 177 Ca 0.01 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3llx n ALA 177 Cb 0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 3llx n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3llx n ASN 179 N -1.68 0.00 -4.19 0.00 0.23 -1.26 -4.49 115.26 103.87 3llx n ASN 179 Ca 0.06 -1.54 -0.16 0.00 -0.53 0.00 0.00 54.58 52.42 3llx n ASN 179 Cb 0.54 -0.11 -0.11 0.00 -2.08 0.00 0.00 39.78 38.02 3llx n ASN 179 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3llx s THR 180 N 0.00 1.07 0.16 5.53 -4.23 -1.26 -4.84 115.64 112.06 3llx s THR 180 Ca 0.00 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 3llx s THR 180 Cb 0.00 -1.35 0.05 0.00 1.34 0.00 0.00 72.50 72.53 3llx s THR 180 CO 0.00 -0.47 1.79 -0.08 -0.54 0.00 0.00 174.62 175.32 3llx h GLU 181 N 3.66 0.68 -0.44 3.99 4.81 -1.97 -1.49 114.58 123.82 3llx h GLU 181 Ca -0.38 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 3llx h GLU 181 Cb 1.19 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3llx h GLU 181 CO 0.50 0.50 -0.21 0.37 -0.73 0.00 0.00 179.01 179.45 3llx h GLN 182 N 0.66 0.87 -0.85 1.92 5.75 -1.99 -0.58 115.11 120.89 3llx h GLN 182 Ca 0.18 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3llx h GLN 182 Cb 0.00 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 3llx h GLN 182 CO -0.03 1.00 0.50 0.78 -2.65 0.00 0.00 178.83 178.42 3llx h GLY 183 N 0.94 1.24 0.85 2.39 0.00 -1.93 -0.66 103.07 105.91 3llx h GLY 183 Ca 0.10 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3llx h GLY 183 CO 0.06 0.52 -0.07 1.41 0.00 0.00 0.00 176.54 178.46 3llx h LEU 184 N 1.17 0.50 -0.63 3.11 3.38 -1.02 -0.51 115.31 121.32 3llx h LEU 184 Ca 0.30 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3llx h LEU 184 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3llx h LEU 184 CO -0.05 0.76 0.34 0.11 0.09 0.00 0.00 178.44 179.69 3llx h LYS 185 N 0.24 0.62 -0.56 1.13 1.57 -0.91 -0.52 116.57 118.15 3llx h LYS 185 Ca 0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3llx h LYS 185 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3llx h LYS 185 CO 0.03 0.41 0.21 -0.91 -0.57 0.00 0.00 179.45 178.62 3llx h ASN 186 N 0.64 0.78 -0.71 0.86 2.35 -0.97 -1.57 115.58 116.96 3llx h ASN 186 Ca 0.28 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3llx h ASN 186 Cb 0.17 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3llx h ASN 186 CO -0.17 0.75 0.23 0.15 -1.65 0.00 0.00 177.43 176.74 3llx h PHE 187 N 0.77 1.15 -0.78 1.19 3.04 -0.72 -0.19 116.94 121.40 3llx h PHE 187 Ca 0.19 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 3llx h PHE 187 Cb 0.22 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 3llx h PHE 187 CO 0.01 0.91 0.33 0.00 -2.02 0.00 0.00 178.31 177.54 3llx h ALA 188 N 1.17 1.01 -0.68 2.41 0.00 -0.92 -0.64 119.26 121.62 3llx h ALA 188 Ca 0.24 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3llx h ALA 188 Cb 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3llx h ALA 188 CO -0.01 0.62 0.12 -0.22 0.00 0.00 0.00 179.25 179.77 3llx h LYS 189 N 1.12 1.11 -0.68 0.00 3.64 -0.92 -1.45 116.57 119.39 3llx h LYS 189 Ca 0.26 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3llx h LYS 189 Cb 0.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3llx h LYS 189 CO -0.02 1.00 0.41 0.37 -2.27 0.00 0.00 179.45 178.93 3llx h GLN 190 N 1.04 0.93 0.22 1.90 4.15 -0.51 0.12 115.11 122.95 3llx h GLN 190 Ca 0.21 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3llx h GLN 190 Cb 0.42 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3llx h GLN 190 CO 0.01 0.66 -0.10 1.49 -1.93 0.00 0.00 178.83 178.96 3llx h GLU 191 N 0.93 -0.28 -0.60 1.69 4.81 -0.88 -1.56 114.58 118.69 3llx h GLU 191 Ca 0.24 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3llx h GLU 191 Cb -0.02 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3llx h GLU 191 CO -0.05 -0.12 0.19 0.00 -0.73 0.00 0.00 179.01 178.30 3llx h ASP 193 N 0.84 0.48 -0.38 0.00 3.32 -0.67 -0.35 116.42 119.66 3llx h ASP 193 Ca 0.19 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3llx h ASP 193 Cb 0.28 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3llx h ASP 193 CO -0.01 0.44 0.25 0.00 -1.72 0.00 0.00 179.24 178.20 3llx h ALA 194 N 1.64 0.48 -0.45 3.45 0.00 -1.07 0.16 119.26 123.46 3llx h ALA 194 Ca 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3llx h ALA 194 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3llx h ALA 194 CO -0.01 -0.07 -0.22 0.28 0.00 0.00 0.00 179.25 179.23 3llx h VAL 195 N 0.50 1.27 -0.45 0.00 2.07 -1.38 -2.01 116.25 116.26 3llx h VAL 195 Ca 0.14 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3llx h VAL 195 Cb -0.05 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3llx h VAL 195 CO -0.04 0.47 0.27 0.03 0.02 0.00 0.00 177.57 178.32 3llx h ARG 196 N 0.80 0.61 -0.36 1.57 3.08 -0.73 -0.15 114.38 119.20 3llx h ARG 196 Ca 0.11 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3llx h ARG 196 Cb 0.77 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3llx h ARG 196 CO 0.06 0.45 0.11 0.82 -1.07 0.00 0.00 179.97 180.34 3llx h ILE 197 N 0.60 1.21 -0.49 2.04 2.04 -0.92 -0.13 117.51 121.85 3llx h ILE 197 Ca 0.16 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3llx h ILE 197 Cb -0.00 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3llx h ILE 197 CO -0.03 0.24 0.31 0.00 0.00 0.00 0.00 178.15 178.67 3llx h ALA 198 N 0.95 0.63 -0.49 1.87 0.00 -1.24 -0.20 119.26 120.78 3llx h ALA 198 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3llx h ALA 198 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3llx h ALA 198 CO -0.00 0.03 0.26 -0.09 0.00 0.00 0.00 179.25 179.45 3llx h ARG 199 N 0.63 0.68 -0.76 0.00 2.43 -0.80 -0.86 114.38 115.71 3llx h ARG 199 Ca 0.19 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3llx h ARG 199 Cb -0.03 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3llx h ARG 199 CO -0.07 0.54 0.50 -0.91 -1.51 0.00 0.00 179.97 178.53 3llx h ASN 200 N 0.64 0.87 -0.69 -3.80 2.35 -0.65 -0.71 115.58 113.59 3llx h ASN 200 Ca 0.17 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3llx h ASN 200 Cb 0.06 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3llx h ASN 200 CO -0.03 0.63 0.17 0.78 -1.65 0.00 0.00 177.43 177.33 3llx h ASN 201 N 1.03 1.05 0.11 5.81 2.35 -0.62 -1.14 115.58 124.17 3llx h ASN 201 Ca 0.28 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3llx h ASN 201 Cb -0.12 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 37.97 3llx h ASN 201 CO -0.06 1.01 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.59 3llx h LEU 202 N 1.05 -0.16 -0.90 1.61 3.38 -0.81 -2.56 115.31 116.92 3llx h LEU 202 Ca 0.22 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3llx h LEU 202 Cb 0.37 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3llx h LEU 202 CO 0.00 -0.11 0.16 -0.33 0.09 0.00 0.00 178.44 178.25 3llx h GLU 203 N -0.17 0.97 -0.80 1.13 5.08 -0.95 -0.44 114.58 119.40 3llx h GLU 203 Ca -0.01 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3llx h GLU 203 Cb 0.14 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3llx h GLU 203 CO 0.01 0.86 0.52 1.15 -1.00 0.00 0.00 179.01 180.55 3llx h THR 204 N 0.93 1.10 -0.00 1.13 2.02 -1.17 -0.94 112.91 115.97 3llx h THR 204 Ca 0.20 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3llx h THR 204 Cb 0.32 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3llx h THR 204 CO -0.00 0.17 -0.02 0.00 0.37 0.00 0.00 175.52 176.04 3llx n ALA 205 N -2.42 2.65 -0.31 6.16 0.00 -0.53 -4.89 120.51 121.17 3llx n ALA 205 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3llx n ALA 205 Cb 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3llx n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llx n GLY 206 N 1.13 0.82 3.59 0.00 0.00 -0.36 -5.08 105.19 105.29 3llx n GLY 206 Ca 0.20 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3llx n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3llx s ILE 207 N -2.00 4.72 -0.10 -0.61 1.01 -0.29 -4.98 121.20 118.95 3llx s ILE 207 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 3llx s ILE 207 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3llx s ILE 207 CO 0.00 0.41 0.90 -2.28 0.00 0.00 0.00 174.94 173.97 3llx s HIS 208 N 0.79 3.52 -0.38 3.97 5.65 -1.26 -3.20 115.29 124.38 3llx s HIS 208 Ca 0.04 1.46 -0.10 0.00 0.25 0.00 0.00 55.06 56.70 3llx s HIS 208 Cb -0.13 -3.07 0.04 0.00 -1.18 0.00 0.00 32.58 28.24 3llx s HIS 208 CO 0.02 -0.15 0.21 0.00 -0.65 0.00 0.00 174.74 174.17 3llx h ALA 210 N 8.41 0.38 -3.53 0.00 0.00 -1.77 -3.46 119.26 119.30 3llx h ALA 210 Ca -0.25 -0.51 -0.46 0.00 0.00 0.00 0.00 54.91 53.70 3llx h ALA 210 Cb 1.10 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.50 3llx h ALA 210 CO 0.68 0.58 -0.79 0.42 0.00 0.00 0.00 179.25 180.14 3llx s ILE 211 N -4.03 0.84 -0.12 0.00 1.01 -0.51 -5.01 121.20 113.37 3llx s ILE 211 Ca -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 3llx s ILE 211 Cb 0.09 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3llx s ILE 211 CO 0.87 0.28 -0.07 0.42 0.00 0.00 0.00 174.94 176.44 3llx s THR 212 N 0.63 3.62 -0.06 2.92 -4.23 -1.26 -1.05 115.64 116.21 3llx s THR 212 Ca -0.11 -0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 3llx s THR 212 Cb -0.14 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.19 3llx s THR 212 CO 0.02 0.53 0.01 -0.55 -0.54 0.00 0.00 174.62 174.09 3llx s SER 213 N 0.03 1.28 0.24 3.99 0.15 -0.15 -1.79 113.70 117.46 3llx s SER 213 Ca -0.01 -0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.67 3llx s SER 213 Cb -0.14 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 3llx s SER 213 CO 0.03 -0.18 -0.13 0.68 1.20 0.00 0.00 173.24 174.84 3llx s VAL 214 N 1.79 1.87 0.00 4.45 -7.23 -0.93 -1.25 120.40 119.09 3llx s VAL 214 Ca 0.02 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 3llx s VAL 214 Cb -0.13 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3llx s VAL 214 CO -0.04 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 3llx n GLY 215 N -0.49 4.17 3.51 2.32 0.00 -1.08 -0.06 105.19 113.56 3llx n GLY 215 Ca -0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3llx n GLY 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3llx s SER 216 N 0.00 -0.07 0.14 1.61 1.04 -1.06 -4.26 113.70 111.11 3llx s SER 216 Ca 0.00 -0.93 -0.18 0.00 0.48 0.00 0.00 55.95 55.33 3llx s SER 216 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3llx s SER 216 CO 0.00 -1.07 1.79 0.74 0.98 0.00 0.00 173.24 175.68 3llx h THR 217 N 2.32 1.05 -0.31 2.02 2.02 -1.95 0.55 112.91 118.61 3llx h THR 217 Ca -0.28 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3llx h THR 217 Cb 1.25 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3llx h THR 217 CO 0.39 0.07 0.18 -0.65 0.37 0.00 0.00 175.52 175.88 3llx h PRO 218 N 0.40 0.43 -0.18 6.66 0.11 -1.95 -2.12 132.00 135.35 3llx h PRO 218 Ca 0.12 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 3llx h PRO 218 Cb -0.02 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3llx h PRO 218 CO -0.04 0.34 -0.45 1.79 -0.21 0.00 0.00 178.00 179.42 3llx h THR 219 N 0.39 1.32 -0.38 -1.15 1.35 -1.85 -2.39 112.91 110.21 3llx h THR 219 Ca 0.11 -1.64 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 3llx h THR 219 Cb 0.03 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3llx h THR 219 CO -0.02 0.50 0.09 0.00 -0.25 0.00 0.00 175.52 175.85 3llx h ALA 220 N 1.17 1.46 0.00 6.62 0.00 -0.77 0.49 119.26 128.23 3llx h ALA 220 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3llx h ALA 220 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3llx h ALA 220 CO 0.08 0.40 -0.36 0.45 0.00 0.00 0.00 179.25 179.82 3llx h HIS 221 N 0.54 0.00 0.00 0.00 3.86 -1.07 -3.39 115.15 115.10 3llx h HIS 221 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3llx h HIS 221 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3llx h HIS 221 CO 0.01 0.00 -0.40 1.19 0.86 0.00 0.00 177.93 179.59 3llx n PHE 222 N -2.26 0.00 -1.76 2.45 3.01 -0.93 -5.05 117.46 112.93 3llx n PHE 222 Ca 0.04 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.10 3llx n PHE 222 Cb 0.45 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.94 3llx n PHE 222 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3llx n GLY 223 N 1.51 1.00 0.00 1.37 0.00 0.14 -4.48 105.19 104.73 3llx n GLY 223 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3llx n GLY 223 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3llx n GLU 224 N -0.26 0.67 -3.26 1.61 1.02 -1.26 -4.88 120.64 114.28 3llx n GLU 224 Ca 0.06 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.13 3llx n GLU 224 Cb 0.42 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 3llx n GLU 224 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3llx s ASP 225 N -2.94 -0.21 -0.11 1.62 2.15 -1.26 -4.98 116.67 110.93 3llx s ASP 225 Ca 0.06 -0.16 0.14 0.00 0.43 0.00 0.00 52.55 53.02 3llx s ASP 225 Cb 0.14 1.39 0.46 0.00 -0.30 0.00 0.00 42.92 44.61 3llx s ASP 225 CO 0.79 -0.33 1.38 0.49 -0.17 0.00 0.00 175.17 177.32 3llx n PHE 226 N 5.37 0.82 0.28 -5.34 3.72 -1.22 -4.77 117.46 116.32 3llx n PHE 226 Ca 0.02 -0.72 0.15 0.00 -0.05 0.00 0.00 57.45 56.85 3llx n PHE 226 Cb 0.51 -0.21 0.82 0.00 -0.94 0.00 0.00 39.48 39.66 3llx n PHE 226 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3llx h SER 227 N 2.06 0.00 -0.21 4.37 4.64 -1.71 -2.09 113.55 120.62 3llx h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3llx h SER 227 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3llx h SER 227 CO 0.15 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.28 3llx n ASP 228 N -3.53 3.38 -4.34 4.97 5.75 -1.26 -4.88 116.55 116.64 3llx n ASP 228 Ca -0.02 -2.87 -0.33 0.00 -0.01 0.00 0.00 54.79 51.56 3llx n ASP 228 Cb 0.20 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 3llx n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3llx s ILE 229 N -2.55 2.93 0.18 2.12 -1.09 -0.78 -4.97 121.20 117.04 3llx s ILE 229 Ca 0.36 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 3llx s ILE 229 Cb 0.29 -2.23 0.08 0.00 -1.58 0.00 0.00 42.46 39.02 3llx s ILE 229 CO 0.08 0.52 1.73 0.28 -1.23 0.00 0.00 174.94 176.32 3llx h SER 230 N 6.89 0.86 -5.00 3.58 0.02 -1.63 -3.44 113.55 114.83 3llx h SER 230 Ca -0.27 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.42 3llx h SER 230 Cb 1.21 -0.22 -0.19 0.00 0.14 0.00 0.00 62.40 63.34 3llx h SER 230 CO 0.56 0.80 -0.03 -1.83 -1.14 0.00 0.00 176.83 175.19 3llx s GLU 231 N -5.53 0.90 -0.08 3.45 -1.05 -0.83 -3.97 118.70 111.59 3llx s GLU 231 Ca -0.13 -0.05 0.04 0.00 -0.15 0.00 0.00 54.97 54.69 3llx s GLU 231 Cb 0.13 0.42 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 3llx s GLU 231 CO 0.80 -0.28 -0.22 0.08 0.95 0.00 0.00 175.26 176.59 3llx s VAL 232 N -1.58 1.86 -0.06 1.83 1.01 -0.02 -2.20 120.40 121.25 3llx s VAL 232 Ca -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3llx s VAL 232 Cb -0.02 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3llx s VAL 232 CO 0.05 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.47 3llx s ARG 233 N 0.24 2.74 0.01 2.72 0.52 0.91 -0.76 118.95 125.34 3llx s ARG 233 Ca -0.13 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.24 3llx s ARG 233 Cb -0.16 -2.60 0.08 0.00 0.52 0.00 0.00 34.95 32.79 3llx s ARG 233 CO 0.06 0.66 0.69 0.00 0.02 0.00 0.00 175.30 176.73 3llx s ALA 234 N -0.84 -1.73 0.00 2.13 0.00 -1.26 -2.55 121.76 117.51 3llx s ALA 234 Ca 0.13 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3llx s ALA 234 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3llx s ALA 234 CO 0.02 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3llx n GLY 235 N 0.40 0.04 0.23 0.00 0.00 -1.26 -0.50 105.19 104.10 3llx n GLY 235 Ca -0.17 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3llx n GLY 235 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3llx h VAL 236 N 0.00 0.33 -0.11 1.61 3.04 -1.99 -2.86 116.25 116.27 3llx h VAL 236 Ca 0.00 -1.01 0.03 0.00 -1.01 0.00 0.00 66.70 64.71 3llx h VAL 236 Cb 0.00 1.78 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3llx h VAL 236 CO 0.00 0.14 0.20 0.10 -1.01 0.00 0.00 177.57 177.00 3llx h TYR 237 N 0.00 0.00 -0.85 3.17 -0.00 -1.93 0.10 116.97 117.46 3llx h TYR 237 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 58.73 58.90 3llx h TYR 237 Cb 0.77 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.33 3llx h TYR 237 CO 0.00 0.00 -0.23 1.79 -0.00 0.00 0.00 178.16 179.72 3llx h THR 238 N 0.00 0.14 0.00 -0.90 1.35 -1.85 -3.28 112.91 108.36 3llx h THR 238 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3llx h THR 238 Cb 0.45 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3llx h THR 238 CO -0.00 0.00 -0.81 0.35 -0.25 0.00 0.00 175.52 174.81 3llx n THR 239 N -5.55 0.00 -2.46 6.82 -2.24 -0.77 -4.32 114.28 105.77 3llx n THR 239 Ca 0.12 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3llx n THR 239 Cb 0.43 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 3llx n THR 239 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3llx n PHE 240 N -1.43 -2.55 -3.95 4.78 3.72 0.29 -0.36 117.46 117.96 3llx n PHE 240 Ca -0.00 0.72 0.01 0.00 -0.05 0.00 0.00 57.45 58.13 3llx n PHE 240 Cb 0.05 -1.22 0.01 0.00 -0.94 0.00 0.00 39.48 37.38 3llx n PHE 240 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3llx s ASP 241 N -4.92 0.00 0.27 4.37 1.47 -1.26 -4.55 116.67 112.04 3llx s ASP 241 Ca 0.00 -0.29 0.08 0.00 1.18 0.00 0.00 52.55 53.52 3llx s ASP 241 Cb 0.00 0.21 0.36 0.00 -0.34 0.00 0.00 42.92 43.15 3llx s ASP 241 CO 0.00 -0.43 1.62 -0.07 0.68 0.00 0.00 175.17 176.97 3llx h LEU 242 N 2.00 0.14 -1.12 2.11 3.38 -1.15 -1.96 115.31 118.70 3llx h LEU 242 Ca -0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3llx h LEU 242 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3llx h LEU 242 CO 0.32 0.68 0.00 0.52 0.09 0.00 0.00 178.44 180.05 3llx n VAL 243 N -3.89 0.00 0.00 1.22 0.31 -0.78 -1.12 118.33 114.07 3llx n VAL 243 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3llx n VAL 243 Cb 0.58 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3llx n VAL 243 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3llx n LYS 245 N 0.50 0.00 -0.01 5.55 0.00 -0.74 -1.52 118.16 121.94 3llx n LYS 245 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 3llx n LYS 245 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 3llx n LYS 245 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3llx h ASN 246 N 0.00 0.60 -0.10 3.14 2.35 -1.41 -2.84 115.58 117.32 3llx h ASN 246 Ca 0.00 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 3llx h ASN 246 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3llx h ASN 246 CO 0.00 0.94 -0.09 0.40 -1.65 0.00 0.00 177.43 177.04 3llx h ILE 247 N 0.47 1.20 0.00 2.81 2.04 -1.50 -3.46 117.51 119.07 3llx h ILE 247 Ca 0.04 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3llx h ILE 247 Cb 0.91 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3llx h ILE 247 CO 0.08 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.11 3llx n GLY 248 N -0.82 1.13 0.22 5.37 0.00 -1.07 -4.27 105.19 105.75 3llx n GLY 248 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3llx n GLY 248 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3llx h VAL 249 N 0.00 0.07 -3.62 1.61 2.07 -1.91 -3.47 116.25 111.00 3llx h VAL 249 Ca 0.00 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3llx h VAL 249 Cb 0.00 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3llx h VAL 249 CO 0.00 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.58 3llx n ASP 251 N -0.79 2.26 0.26 0.00 5.68 -1.26 -4.39 116.55 118.31 3llx n ASP 251 Ca -0.02 -1.78 0.10 0.00 -0.50 0.00 0.00 54.79 52.60 3llx n ASP 251 Cb 0.61 0.09 0.72 0.00 -1.14 0.00 0.00 41.12 41.40 3llx n ASP 251 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3llx h PHE 252 N 0.94 0.00 0.00 2.11 0.04 -1.97 -2.80 116.94 115.26 3llx h PHE 252 Ca -0.15 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3llx h PHE 252 Cb 0.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 3llx h PHE 252 CO 0.00 0.00 -0.02 0.66 -0.60 0.00 0.00 178.31 178.35 3llx h SER 253 N 0.00 0.00 0.49 2.17 4.64 -1.98 -2.82 113.55 116.05 3llx h SER 253 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3llx h SER 253 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3llx h SER 253 CO -0.00 0.02 -0.50 1.41 -0.87 0.00 0.00 176.83 176.88 3llx n HIS 254 N -3.12 0.00 -2.50 4.77 8.25 -1.06 -4.87 115.22 116.69 3llx n HIS 254 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3llx n HIS 254 Cb 0.29 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3llx n HIS 254 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3llx s ILE 255 N -3.00 4.29 -0.77 1.59 1.01 -1.07 -4.54 121.20 118.71 3llx s ILE 255 Ca 0.11 1.49 -0.00 0.00 0.00 0.00 0.00 60.65 62.25 3llx s ILE 255 Cb 0.17 -4.22 0.36 0.00 0.01 0.00 0.00 42.46 38.78 3llx s ILE 255 CO 0.70 -0.42 1.76 0.00 0.00 0.00 0.00 174.94 176.98 3llx n ALA 256 N 7.20 6.07 0.00 9.38 0.00 0.52 -4.97 120.51 138.71 3llx n ALA 256 Ca 0.14 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.32 3llx n ALA 256 Cb 0.46 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3llx n ALA 256 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3llx n SER 258 N -0.45 0.00 -4.41 0.00 3.41 -0.68 -0.59 113.62 110.91 3llx n SER 258 Ca 0.49 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.72 3llx n SER 258 Cb 0.33 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 3llx n SER 258 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3llx s VAL 259 N -2.00 4.35 0.01 -3.33 -7.23 -0.18 -0.40 120.40 111.62 3llx s VAL 259 Ca 0.00 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 3llx s VAL 259 Cb 0.00 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 3llx s VAL 259 CO 0.00 0.11 1.17 -0.69 -0.31 0.00 0.00 175.10 175.38 3llx s VAL 260 N 1.58 4.23 0.05 1.32 1.01 0.27 -1.38 120.40 127.47 3llx s VAL 260 Ca 0.04 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.62 3llx s VAL 260 Cb -0.17 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3llx s VAL 260 CO 0.05 0.07 -0.06 0.28 0.00 0.00 0.00 175.10 175.44 3llx s THR 261 N 1.52 0.47 -0.09 3.92 -1.32 -0.24 -1.98 115.64 117.91 3llx s THR 261 Ca 0.57 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.75 3llx s THR 261 Cb -0.26 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3llx s THR 261 CO 0.26 -0.55 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.19 3llx s THR 262 N -2.06 3.93 -0.08 5.08 2.01 -1.26 -1.19 115.64 122.07 3llx s THR 262 Ca -0.05 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 3llx s THR 262 Cb -0.05 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3llx s THR 262 CO -0.02 0.58 1.46 -0.69 -0.69 0.00 0.00 174.62 175.26 3llx s VAL 263 N -0.58 3.85 -0.49 3.82 1.01 0.22 -1.70 120.40 126.53 3llx s VAL 263 Ca 0.09 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.22 3llx s VAL 263 Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3llx s VAL 263 CO 0.02 -0.07 0.43 2.30 0.00 0.00 0.00 175.10 177.78 3llx n ILE 264 N 5.23 0.00 -3.74 2.22 -5.35 0.38 -0.73 119.36 117.38 3llx n ILE 264 Ca 0.15 -0.42 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 3llx n ILE 264 Cb 0.44 1.06 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 3llx n ILE 264 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3llx s GLY 265 N -1.13 -0.24 0.05 3.28 0.00 -0.95 -4.97 107.32 103.36 3llx s GLY 265 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.04 3llx s GLY 265 CO 0.17 0.54 -0.11 0.30 0.00 0.00 0.00 173.10 174.00 3llx s HIS 266 N -2.83 0.98 -0.26 1.90 3.76 -1.26 -0.72 115.29 116.86 3llx s HIS 266 Ca 0.15 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 3llx s HIS 266 Cb 0.00 -0.57 0.06 0.00 1.11 0.00 0.00 32.58 33.18 3llx s HIS 266 CO 0.01 0.00 -0.10 1.21 -0.85 0.00 0.00 174.74 175.00 3llx s ASN 267 N -1.42 4.47 0.14 1.40 3.84 0.09 -4.94 114.94 118.53 3llx s ASN 267 Ca -0.03 -1.41 -0.12 0.00 0.21 0.00 0.00 52.86 51.50 3llx s ASN 267 Cb -0.09 -1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 39.04 3llx s ASN 267 CO 0.01 -0.20 1.54 0.50 -2.79 0.00 0.00 177.10 176.16 3llx h LYS 268 N 7.77 0.86 -0.49 0.43 3.64 -1.97 0.81 116.57 127.63 3llx h LYS 268 Ca -0.19 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3llx h LYS 268 Cb 1.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3llx h LYS 268 CO 0.46 0.99 0.32 1.49 -2.27 0.00 0.00 179.45 180.44 3llx h GLU 269 N 0.69 0.64 -0.02 1.90 4.81 -1.98 -2.97 114.58 117.65 3llx h GLU 269 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3llx h GLU 269 Cb 0.69 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3llx h GLU 269 CO 0.05 0.43 -0.10 1.63 -0.73 0.00 0.00 179.01 180.29 3llx n LYS 270 N -4.74 1.96 -3.63 1.92 5.02 -1.20 -4.98 118.16 112.50 3llx n LYS 270 Ca 0.02 -1.55 -0.27 0.00 -2.02 0.00 0.00 58.31 54.50 3llx n LYS 270 Cb 0.02 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3llx n LYS 270 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3llx n ASN 271 N 0.83 -5.56 -4.59 4.39 4.13 0.17 -4.76 115.26 109.87 3llx n ASN 271 Ca 0.14 -0.89 -0.33 0.00 1.68 0.00 0.00 54.58 55.18 3llx n ASN 271 Cb 0.53 -3.29 -0.11 0.00 -1.54 0.00 0.00 39.78 35.37 3llx n ASN 271 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3llx s TRP 272 N -3.32 2.89 -0.11 3.10 0.51 -0.57 -1.03 118.94 120.42 3llx s TRP 272 Ca 0.34 -0.03 -0.09 0.00 -2.12 0.00 0.00 56.10 54.20 3llx s TRP 272 Cb -0.12 -1.63 -0.04 0.00 -0.81 0.00 0.00 33.47 30.86 3llx s TRP 272 CO 0.86 0.36 0.19 -0.51 -0.51 0.00 0.00 176.95 177.33 3llx s LEU 273 N -1.26 4.39 -0.14 2.99 1.43 -0.14 -0.73 118.68 125.21 3llx s LEU 273 Ca 0.16 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3llx s LEU 273 Cb -0.11 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3llx s LEU 273 CO 0.06 0.37 -0.06 -0.76 0.23 0.00 0.00 176.35 176.20 3llx s LEU 274 N -0.91 3.16 0.41 1.79 1.02 0.10 -0.83 118.68 123.42 3llx s LEU 274 Ca 0.16 -0.15 0.07 0.00 0.02 0.00 0.00 54.13 54.24 3llx s LEU 274 Cb -0.13 -1.74 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 3llx s LEU 274 CO 0.05 0.19 0.08 0.42 0.02 0.00 0.00 176.35 177.11 3llx s THR 275 N 0.21 2.12 -0.48 5.49 -4.23 -0.35 -0.47 115.64 117.94 3llx s THR 275 Ca -0.03 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 3llx s THR 275 Cb -0.14 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.99 3llx s THR 275 CO 0.03 -0.00 1.13 -0.90 -0.54 0.00 0.00 174.62 174.35 3llx n ASP 276 N -1.08 3.01 -4.15 3.99 5.68 -0.69 -1.21 116.55 122.10 3llx n ASP 276 Ca -0.03 -2.46 -0.38 0.00 -0.50 0.00 0.00 54.79 51.41 3llx n ASP 276 Cb 0.66 -0.60 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 3llx n ASP 276 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3llx s SER 277 N -0.11 6.07 0.61 -1.12 1.04 -1.26 -4.29 113.70 114.65 3llx s SER 277 Ca 0.21 -3.44 -0.01 0.00 0.48 0.00 0.00 55.95 53.20 3llx s SER 277 Cb 0.17 -1.96 0.03 0.00 0.10 0.00 0.00 66.02 64.35 3llx s SER 277 CO 0.05 -0.27 0.19 0.61 0.98 0.00 0.00 173.24 174.80 3llx n GLY 278 N 2.76 0.14 2.47 7.32 0.00 -1.24 -2.85 105.19 113.80 3llx n GLY 278 Ca 0.18 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 3llx n GLY 278 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3llx n TRP 279 N -1.84 0.13 0.00 1.61 4.27 -0.42 -1.51 117.44 119.67 3llx n TRP 279 Ca 0.03 -0.54 0.00 0.00 -3.89 0.00 0.00 57.50 53.10 3llx n TRP 279 Cb 0.10 -0.78 0.00 0.00 -1.36 0.00 0.00 31.31 29.27 3llx n TRP 279 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3llx n ALA 281 N 3.26 0.00 -0.01 -1.67 0.00 -1.26 -0.43 120.51 120.39 3llx n ALA 281 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3llx n ALA 281 Cb 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 3llx n ALA 281 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3llx n LEU 282 N 0.00 0.08 -0.43 0.00 4.77 -0.57 -4.91 117.00 115.94 3llx n LEU 282 Ca 0.00 0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 3llx n LEU 282 Cb 0.00 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3llx n LEU 282 CO 0.00 0.06 -0.16 -1.54 -1.33 0.00 0.00 177.39 174.41 3llx n SER 283 N -2.37 -2.44 -0.26 -1.43 3.41 0.43 -4.18 113.62 106.79 3llx n SER 283 Ca -0.08 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 3llx n SER 283 Cb 0.65 -1.42 0.69 0.00 -0.26 0.00 0.00 64.21 63.87 3llx n SER 283 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3llx n ARG 284 N -2.87 1.35 -1.69 4.33 5.12 -1.26 -4.71 116.66 116.93 3llx n ARG 284 Ca -0.02 -0.52 -0.43 0.00 -1.93 0.00 0.00 57.85 54.96 3llx n ARG 284 Cb 0.20 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 3llx n ARG 284 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3llx n ASP 285 N -0.36 3.93 -2.26 0.55 -0.08 -1.26 -4.87 116.55 112.19 3llx n ASP 285 Ca 0.21 1.01 -0.22 0.00 -1.51 0.00 0.00 54.79 54.28 3llx n ASP 285 Cb 0.23 -1.53 0.02 0.00 2.34 0.00 0.00 41.12 42.18 3llx n ASP 285 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3llx n SER 286 N 5.12 4.35 -0.06 1.67 3.41 -1.26 -4.80 113.62 122.05 3llx n SER 286 Ca 0.18 -3.51 0.21 0.00 -0.26 0.00 0.00 58.87 55.48 3llx n SER 286 Cb 0.36 -0.40 0.66 0.00 -0.26 0.00 0.00 64.21 64.57 3llx n SER 286 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3llx h GLY 287 N 2.37 0.15 2.00 5.00 0.00 -1.89 -1.03 103.07 109.67 3llx h GLY 287 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3llx h GLY 287 CO 0.71 0.01 0.00 -0.91 0.00 0.00 0.00 176.54 176.35 3llx h THR 288 N 0.09 0.00 0.00 4.70 1.35 -1.88 -3.19 112.91 113.98 3llx h THR 288 Ca 0.31 -0.40 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 3llx h THR 288 Cb 1.09 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3llx h THR 288 CO -0.03 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.05 3llx h ALA 289 N 2.37 1.67 -0.96 6.62 0.00 -1.48 -1.71 119.26 125.78 3llx h ALA 289 Ca 0.00 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 3llx h ALA 289 Cb 0.59 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.06 3llx h ALA 289 CO 0.00 0.24 0.76 0.41 0.00 0.00 0.00 179.25 180.66 3llx n GLY 290 N -0.97 5.21 1.82 0.00 0.00 -1.20 -4.87 105.19 105.16 3llx n GLY 290 Ca -0.02 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3llx n GLY 290 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3llx n GLN 291 N -0.92 0.61 0.02 1.61 6.02 -0.64 -5.07 117.38 119.01 3llx n GLN 291 Ca 0.59 -1.87 0.13 0.00 -0.01 0.00 0.00 57.00 55.84 3llx n GLN 291 Cb 1.04 1.15 0.44 0.00 1.02 0.00 0.00 30.24 33.88 3llx n GLN 291 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3llx n ASN 292 N -1.90 0.33 -3.76 1.08 3.02 -1.26 -4.46 115.26 108.31 3llx n ASN 292 Ca -0.01 0.25 -0.28 0.00 -0.03 0.00 0.00 54.58 54.50 3llx n ASN 292 Cb 0.33 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.10 3llx n ASN 292 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3llx s ARG 293 N -3.03 0.77 -0.31 3.52 3.00 -1.26 -5.11 118.95 116.53 3llx s ARG 293 Ca 0.12 -0.58 -0.25 0.00 -1.00 0.00 0.00 55.73 54.03 3llx s ARG 293 Cb 0.17 -2.14 0.01 0.00 0.00 0.00 0.00 34.95 32.98 3llx s ARG 293 CO 0.61 -0.69 0.86 0.34 0.00 0.00 0.00 175.30 176.42 3llx s ASP 294 N 1.78 6.72 -0.09 -2.12 -1.08 -1.25 -4.75 116.67 115.86 3llx s ASP 294 Ca -0.00 0.73 0.16 0.00 -0.52 0.00 0.00 52.55 52.92 3llx s ASP 294 Cb -0.17 -2.44 0.62 0.00 -1.46 0.00 0.00 42.92 39.47 3llx s ASP 294 CO -0.10 -0.69 1.51 0.49 0.52 0.00 0.00 175.17 176.90 3llx n PHE 295 N 6.38 1.28 -0.24 -5.34 3.72 -1.26 -5.00 117.46 117.00 3llx n PHE 295 Ca 0.06 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 3llx n PHE 295 Cb 0.48 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3llx n PHE 295 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3llx n GLY 296 N 1.06 3.25 1.53 1.37 0.00 -1.26 -0.98 105.19 110.17 3llx n GLY 296 Ca 0.22 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3llx n GLY 296 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3llx n TYR 297 N 13.80 1.48 0.00 1.61 4.01 0.69 -4.84 117.16 133.90 3llx n TYR 297 Ca 0.00 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 3llx n TYR 297 Cb 0.00 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 3llx n TYR 297 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3llx n GLY 298 N 0.93 4.43 3.71 2.72 0.00 -0.15 -4.67 105.19 112.16 3llx n GLY 298 Ca 0.24 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3llx n GLY 298 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3llx s GLN 299 N -3.42 4.48 0.10 1.61 2.00 -1.26 -1.15 119.66 122.02 3llx s GLN 299 Ca 0.00 1.55 -0.26 0.00 -2.00 0.00 0.00 55.36 54.65 3llx s GLN 299 Cb 0.00 -3.45 -0.06 0.00 0.80 0.00 0.00 33.01 30.30 3llx s GLN 299 CO 0.00 -0.20 0.82 0.08 -0.50 0.00 0.00 175.29 175.50 3llx s VAL 300 N 1.30 4.56 0.12 1.34 1.01 -0.61 -4.32 120.40 123.80 3llx s VAL 300 Ca 0.54 1.78 0.04 0.00 0.00 0.00 0.00 61.98 64.34 3llx s VAL 300 Cb -0.24 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3llx s VAL 300 CO 0.26 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.66 3llx s LYS 302 N -3.22 0.56 0.51 0.00 1.02 0.58 -0.85 119.74 118.34 3llx s LYS 302 Ca 0.10 0.79 0.18 0.00 0.02 0.00 0.00 55.97 57.06 3llx s LYS 302 Cb -0.00 -1.73 1.27 0.00 -0.52 0.00 0.00 37.83 36.84 3llx s LYS 302 CO -0.00 -2.71 2.10 0.82 -0.92 0.00 0.00 175.35 174.64 3llx h ILE 303 N -1.89 0.94 0.00 2.17 1.08 -1.88 0.08 117.51 118.01 3llx h ILE 303 Ca -0.53 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3llx h ILE 303 Cb 1.31 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 3llx h ILE 303 CO 0.54 0.01 0.00 -0.90 -0.69 0.00 0.00 178.15 177.11 3llx n ASP 304 N -4.49 0.00 0.00 1.72 5.68 -1.26 -4.68 116.55 113.52 3llx n ASP 304 Ca 0.01 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 3llx n ASP 304 Cb 0.23 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3llx n ASP 304 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3llx n GLY 305 N 0.46 0.68 3.74 6.12 0.00 0.02 -4.74 105.19 111.45 3llx n GLY 305 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3llx n GLY 305 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3llx s SER 306 N -2.45 6.47 0.40 1.61 0.01 -1.26 -4.71 113.70 113.77 3llx s SER 306 Ca 0.00 2.82 -0.26 0.00 1.31 0.00 0.00 55.95 59.81 3llx s SER 306 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 3llx s SER 306 CO 0.00 -0.86 1.31 0.68 0.41 0.00 0.00 173.24 174.78 3llx s VAL 307 N 0.40 2.61 -0.52 3.43 -7.23 -1.26 -0.31 120.40 117.53 3llx s VAL 307 Ca 0.66 0.56 -0.15 0.00 -1.81 0.00 0.00 61.98 61.24 3llx s VAL 307 Cb -0.46 -3.33 0.12 0.00 0.56 0.00 0.00 36.38 33.26 3llx s VAL 307 CO 0.41 0.09 0.46 -0.76 -0.31 0.00 0.00 175.10 174.99 3llx s LEU 308 N -2.34 6.00 0.16 1.32 1.43 -0.38 -4.78 118.68 120.09 3llx s LEU 308 Ca 0.56 -1.71 -0.34 0.00 -1.03 0.00 0.00 54.13 51.61 3llx s LEU 308 Cb -0.38 -2.18 -0.14 0.00 0.03 0.00 0.00 46.19 43.52 3llx s LEU 308 CO 0.50 -0.79 1.50 -0.67 0.23 0.00 0.00 176.35 177.11 3llx n ASP 309 N 5.19 2.74 0.00 2.29 2.03 -1.26 -2.03 116.55 125.51 3llx n ASP 309 Ca -0.13 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.28 3llx n ASP 309 Cb 0.41 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3llx n ASP 309 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3llx n GLY 310 N 3.01 1.34 3.45 0.27 0.00 -1.26 -5.01 105.19 106.99 3llx n GLY 310 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3llx n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3llx s LEU 311 N 0.00 3.17 0.15 0.99 1.43 -0.86 -4.74 118.68 118.82 3llx s LEU 311 Ca 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3llx s LEU 311 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3llx s LEU 311 CO 0.00 0.11 0.03 0.00 0.23 0.00 0.00 176.35 176.72 3llx s VAL 313 N -3.84 3.77 0.23 0.00 1.01 -0.30 -4.20 120.40 117.06 3llx s VAL 313 Ca 0.24 0.43 0.12 0.00 0.00 0.00 0.00 61.98 62.77 3llx s VAL 313 Cb 0.07 -4.89 -0.00 0.00 0.00 0.00 0.00 36.38 31.55 3llx s VAL 313 CO 0.03 -1.80 1.61 0.78 0.00 0.00 0.00 175.10 175.73 3llx h ASN 314 N 9.97 0.00 -5.03 3.32 4.21 -1.13 0.20 115.58 127.12 3llx h ASN 314 Ca -0.28 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.18 3llx h ASN 314 Cb 1.05 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.10 3llx h ASN 314 CO 1.27 0.59 0.03 -0.94 -1.29 0.00 0.00 177.43 177.09 3llx s SER 315 N -6.74 -0.41 0.05 5.81 1.04 -1.18 -4.67 113.70 107.60 3llx s SER 315 Ca -0.01 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3llx s SER 315 Cb 0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 3llx s SER 315 CO 0.75 -0.77 -0.08 0.42 0.98 0.00 0.00 173.24 174.54 3llx s THR 316 N -2.84 0.57 0.00 2.02 -4.23 -1.26 -0.81 115.64 109.10 3llx s THR 316 Ca -0.03 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3llx s THR 316 Cb -0.00 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.05 3llx s THR 316 CO -0.05 -0.46 0.00 -1.54 -0.54 0.00 0.00 174.62 172.03 3llx n SER 317 N 1.22 1.28 0.02 3.99 3.41 -0.08 -4.85 113.62 118.61 3llx n SER 317 Ca -0.21 -0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 3llx n SER 317 Cb 0.56 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3llx n SER 317 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3llx h GLN 318 N 0.00 0.05 0.00 4.33 4.15 -1.98 -1.12 115.11 120.54 3llx h GLN 318 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3llx h GLN 318 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3llx h GLN 318 CO 0.00 0.06 -0.02 0.39 -1.93 0.00 0.00 178.83 177.33 3llx n GLU 319 N -5.05 2.26 -3.96 1.69 -0.58 -1.26 -3.32 120.64 110.41 3llx n GLU 319 Ca -0.06 -1.55 -0.08 0.00 -0.42 0.00 0.00 57.16 55.04 3llx n GLU 319 Cb 0.04 -1.01 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 3llx n GLU 319 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 3llx s HIS 320 N -1.17 0.29 0.23 -0.32 -3.43 -1.25 -4.17 115.29 105.47 3llx s HIS 320 Ca 0.05 -0.70 0.10 0.00 -0.80 0.00 0.00 55.06 53.71 3llx s HIS 320 Cb 0.05 -0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.95 3llx s HIS 320 CO 0.01 -0.41 -0.18 0.20 -2.00 0.00 0.00 174.74 172.36 3llx s GLY 321 N -2.53 1.63 -0.11 -1.38 0.00 -0.35 -0.90 107.32 103.68 3llx s GLY 321 Ca 0.01 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.02 3llx s GLY 321 CO -0.08 -1.82 -0.21 0.14 0.00 0.00 0.00 173.10 171.13 3llx s VAL 322 N -2.63 1.87 -0.28 1.40 1.01 0.01 -1.21 120.40 120.57 3llx s VAL 322 Ca 0.25 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3llx s VAL 322 Cb -0.03 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.72 3llx s VAL 322 CO 0.10 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 175.10 3llx s ILE 323 N 0.63 3.42 -0.27 2.22 1.01 -0.01 -0.50 121.20 127.70 3llx s ILE 323 Ca -0.13 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 3llx s ILE 323 Cb -0.16 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 3llx s ILE 323 CO 0.03 0.12 1.34 -1.61 0.00 0.00 0.00 174.94 174.82 3llx s GLU 324 N 1.41 3.95 0.32 2.79 2.02 -1.26 -0.97 118.70 126.95 3llx s GLU 324 Ca 0.01 1.37 -0.28 0.00 0.02 0.00 0.00 54.97 56.09 3llx s GLU 324 Cb -0.17 -3.88 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 3llx s GLU 324 CO -0.01 -1.08 1.06 -0.51 0.02 0.00 0.00 175.26 174.74 3llx s LEU 325 N 4.35 4.42 0.89 1.80 1.43 -0.20 -4.74 118.68 126.63 3llx s LEU 325 Ca 0.58 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.70 3llx s LEU 325 Cb -0.19 -3.82 0.15 0.00 0.03 0.00 0.00 46.19 42.37 3llx s LEU 325 CO 0.23 -0.23 1.25 -0.94 0.23 0.00 0.00 176.35 176.89 3llx s SER 326 N -1.15 3.72 0.00 2.29 1.04 -1.26 -4.92 113.70 113.42 3llx s SER 326 Ca 0.49 0.44 0.22 0.00 0.48 0.00 0.00 55.95 57.57 3llx s SER 326 Cb -0.28 -0.67 1.31 0.00 0.10 0.00 0.00 66.02 66.48 3llx s SER 326 CO 0.35 -2.37 1.77 -0.90 0.98 0.00 0.00 173.24 173.08 3llx n ASP 327 N -3.54 0.00 0.10 7.02 5.75 -1.26 -2.03 116.55 122.58 3llx n ASP 327 Ca 0.12 -1.07 0.13 0.00 -0.01 0.00 0.00 54.79 53.96 3llx n ASP 327 Cb 0.60 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.13 3llx n ASP 327 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3llx n ALA 328 N -0.89 2.16 -2.50 2.12 0.00 -1.26 -4.87 120.51 115.27 3llx n ALA 328 Ca 0.16 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 3llx n ALA 328 Cb 0.08 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 3llx n ALA 328 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3llx s TYR 329 N -3.13 2.47 -0.05 0.00 2.02 -0.86 -5.14 117.35 112.67 3llx s TYR 329 Ca 0.10 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 3llx s TYR 329 Cb 0.12 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3llx s TYR 329 CO 0.54 0.51 -0.18 -0.65 -1.57 0.00 0.00 175.55 174.21 3llx s GLN 330 N -2.78 2.47 0.32 -0.62 -0.21 -1.26 -4.86 119.66 112.71 3llx s GLN 330 Ca 0.23 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.90 3llx s GLN 330 Cb -0.08 -2.30 0.70 0.00 1.00 0.00 0.00 33.01 32.33 3llx s GLN 330 CO 0.13 0.57 1.85 -0.07 -2.12 0.00 0.00 175.29 175.65 3llx h LEU 331 N 5.50 0.78 -0.04 2.90 3.38 -1.97 -2.46 115.31 123.39 3llx h LEU 331 Ca -0.44 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3llx h LEU 331 Cb 1.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3llx h LEU 331 CO 0.50 0.39 0.00 -1.84 0.09 0.00 0.00 178.44 177.58 3llx n GLU 332 N -4.60 0.01 0.00 1.13 0.28 -1.26 -1.04 120.64 115.16 3llx n GLU 332 Ca 0.19 0.26 0.14 0.00 -0.16 0.00 0.00 57.16 57.59 3llx n GLU 332 Cb 0.43 -1.52 0.62 0.00 1.43 0.00 0.00 31.44 32.39 3llx n GLU 332 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3llx n ASP 333 N -1.54 0.37 -3.10 -1.84 8.00 -0.93 -4.17 116.55 113.34 3llx n ASP 333 Ca 0.03 -0.42 -0.23 0.00 0.71 0.00 0.00 54.79 54.89 3llx n ASP 333 Cb 0.17 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 3llx n ASP 333 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3llx n PHE 334 N -1.07 1.90 -1.14 1.24 3.72 -0.21 -5.08 117.46 116.83 3llx n PHE 334 Ca 0.13 -3.89 -0.33 0.00 -0.05 0.00 0.00 57.45 53.31 3llx n PHE 334 Cb 0.28 -0.45 0.12 0.00 -0.94 0.00 0.00 39.48 38.49 3llx n PHE 334 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3llx s PRO 335 N -2.77 1.71 0.11 -1.08 0.04 -1.25 -4.80 135.00 126.95 3llx s PRO 335 Ca 0.43 1.66 -0.35 0.00 0.04 0.00 0.00 61.00 62.78 3llx s PRO 335 Cb 0.30 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.90 3llx s PRO 335 CO -0.10 -2.14 1.52 0.28 0.04 0.00 0.00 177.00 176.60 3llx n VAL 336 N -3.34 0.05 0.00 -0.36 0.31 -1.26 -0.73 118.33 113.00 3llx n VAL 336 Ca 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3llx n VAL 336 Cb 0.51 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 3llx n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3llx n GLY 337 N 3.21 1.90 3.76 2.92 0.00 0.09 -5.01 105.19 112.05 3llx n GLY 337 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3llx n GLY 337 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3llx s HIS 338 N -2.50 2.58 0.14 1.61 5.04 0.09 -4.74 115.29 117.51 3llx s HIS 338 Ca 0.00 1.49 0.10 0.00 -1.54 0.00 0.00 55.06 55.11 3llx s HIS 338 Cb 0.00 -3.50 -0.04 0.00 0.04 0.00 0.00 32.58 29.07 3llx s HIS 338 CO 0.00 -2.05 -0.19 -0.65 -2.34 0.00 0.00 174.74 169.51 3llx s GLN 339 N -2.97 1.72 0.14 2.88 -0.21 -1.26 -0.61 119.66 119.35 3llx s GLN 339 Ca 0.70 -1.28 -0.01 0.00 0.02 0.00 0.00 55.36 54.79 3llx s GLN 339 Cb -0.32 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 3llx s GLN 339 CO 0.37 0.45 0.07 -0.51 -2.12 0.00 0.00 175.29 173.55 3llx s LEU 340 N -2.35 1.66 -0.05 2.90 1.43 -0.34 -4.20 118.68 117.73 3llx s LEU 340 Ca 0.19 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 3llx s LEU 340 Cb -0.10 0.31 -0.01 0.00 0.03 0.00 0.00 46.19 46.43 3llx s LEU 340 CO 0.10 -0.75 -0.20 -0.13 0.23 0.00 0.00 176.35 175.60 3llx s ARG 341 N -4.07 2.04 0.00 1.70 0.52 -0.03 -1.08 118.95 118.02 3llx s ARG 341 Ca 0.27 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 3llx s ARG 341 Cb 0.07 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.78 3llx s ARG 341 CO 0.04 0.30 0.00 -0.89 0.02 0.00 0.00 175.30 174.77 3llx n ILE 342 N 3.04 0.00 -4.13 1.52 2.08 -0.48 0.06 119.36 121.44 3llx n ILE 342 Ca -0.18 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 62.97 3llx n ILE 342 Cb 0.53 -0.45 -0.12 0.00 -0.75 0.00 0.00 39.64 38.85 3llx n ILE 342 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3llx s PRO 344 N 0.99 0.71 0.09 0.38 0.04 -1.26 -1.01 135.00 134.95 3llx s PRO 344 Ca 0.00 -0.87 -0.20 0.00 0.04 0.00 0.00 61.00 59.97 3llx s PRO 344 Cb 0.00 -0.63 -0.08 0.00 0.04 0.00 0.00 34.50 33.83 3llx s PRO 344 CO 0.00 0.13 1.62 -0.91 0.04 0.00 0.00 177.00 177.88 3llx h ASN 345 N 4.40 0.30 -3.16 6.66 2.35 -1.87 -1.03 115.58 123.23 3llx h ASN 345 Ca -0.39 -0.18 -0.51 0.00 -0.55 0.00 0.00 56.30 54.67 3llx h ASN 345 Cb 1.20 -0.08 -0.40 0.00 0.05 0.00 0.00 38.32 39.08 3llx h ASN 345 CO 0.40 0.40 -0.76 -2.28 -1.65 0.00 0.00 177.43 173.55 3llx s HIS 346 N -5.48 0.80 0.22 1.19 2.46 -1.26 -1.87 115.29 111.34 3llx s HIS 346 Ca -0.14 -0.79 -0.08 0.00 0.47 0.00 0.00 55.06 54.52 3llx s HIS 346 Cb 0.07 -0.98 0.26 0.00 -0.13 0.00 0.00 32.58 31.80 3llx s HIS 346 CO 0.71 -0.63 1.83 0.00 -2.47 0.00 0.00 174.74 174.19 3llx h ALA 347 N 8.29 1.00 -1.01 1.58 0.00 -1.83 -1.10 119.26 126.19 3llx h ALA 347 Ca -0.16 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3llx h ALA 347 Cb 1.11 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3llx h ALA 347 CO 0.34 0.17 0.66 0.00 0.00 0.00 0.00 179.25 180.42 3llx h ALA 349 N 1.44 0.15 -0.31 0.00 0.00 -1.68 -3.00 119.26 115.86 3llx h ALA 349 Ca 0.42 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3llx h ALA 349 Cb 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3llx h ALA 349 CO -0.15 0.63 -0.45 1.15 0.00 0.00 0.00 179.25 180.43 3llx h THR 350 N 0.35 1.28 -0.04 0.00 2.02 -1.02 -3.03 112.91 112.48 3llx h THR 350 Ca -0.11 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 3llx h THR 350 Cb 1.59 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3llx h THR 350 CO 0.18 0.54 -0.11 0.00 0.37 0.00 0.00 175.52 176.50 3llx h ALA 351 N 0.70 1.76 0.00 6.16 0.00 -1.18 -3.36 119.26 123.35 3llx h ALA 351 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3llx h ALA 351 Cb 1.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3llx h ALA 351 CO 0.11 0.18 0.18 0.00 0.00 0.00 0.00 179.25 179.71 3llx n ALA 352 N -2.51 1.48 0.00 0.00 0.00 -1.13 -4.77 120.51 113.58 3llx n ALA 352 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3llx n ALA 352 Cb 0.20 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3llx n ALA 352 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3llx n HIS 354 N 2.36 0.00 0.22 0.00 8.25 -1.26 -5.13 115.22 119.67 3llx n HIS 354 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 3llx n HIS 354 Cb 0.03 0.00 0.53 0.00 1.12 0.00 0.00 29.99 31.67 3llx n HIS 354 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3llx h PRO 355 N 2.03 0.00 -5.01 -0.41 0.11 -1.95 -3.43 132.00 123.34 3llx h PRO 355 Ca 0.00 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.70 3llx h PRO 355 Cb 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 30.84 3llx h PRO 355 CO 0.00 0.24 -0.79 0.08 -0.21 0.00 0.00 178.00 177.32 3llx s VAL 356 N -4.06 0.90 -0.04 3.15 1.01 -1.26 -1.16 120.40 118.94 3llx s VAL 356 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3llx s VAL 356 Cb 0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3llx s VAL 356 CO 0.65 0.10 -0.15 -0.31 0.00 0.00 0.00 175.10 175.38 3llx s TYR 357 N -0.56 2.67 0.09 5.22 2.02 -0.06 -4.58 117.35 122.16 3llx s TYR 357 Ca 0.02 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 3llx s TYR 357 Cb -0.06 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.84 3llx s TYR 357 CO 0.00 0.19 0.47 -1.01 -1.57 0.00 0.00 175.55 173.63 3llx s HIS 358 N -0.75 3.62 -0.12 2.71 3.76 0.17 -1.06 115.29 123.62 3llx s HIS 358 Ca 0.12 0.95 -0.00 0.00 -0.15 0.00 0.00 55.06 55.97 3llx s HIS 358 Cb -0.11 -2.28 0.02 0.00 1.11 0.00 0.00 32.58 31.33 3llx s HIS 358 CO 0.01 0.50 -0.09 0.08 -0.85 0.00 0.00 174.74 174.40 3llx s VAL 359 N -1.37 1.11 0.71 -0.90 1.01 0.77 -0.53 120.40 121.20 3llx s VAL 359 Ca 0.33 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3llx s VAL 359 Cb -0.15 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.18 3llx s VAL 359 CO 0.18 0.38 1.03 -0.22 0.00 0.00 0.00 175.10 176.47 3llx s LEU 360 N 1.63 2.81 -0.02 3.92 2.96 0.33 -1.63 118.68 128.69 3llx s LEU 360 Ca 0.04 0.57 0.21 0.00 -0.22 0.00 0.00 54.13 54.73 3llx s LEU 360 Cb -0.13 -3.22 -0.30 0.00 0.50 0.00 0.00 46.19 43.04 3llx s LEU 360 CO -0.08 -1.58 0.54 -1.54 -1.32 0.00 0.00 176.35 172.37 3llx n SER 362 N -2.95 0.41 -0.99 3.68 3.41 -1.26 -0.85 113.62 115.06 3llx n SER 362 Ca 0.08 -0.20 0.08 0.00 -0.26 0.00 0.00 58.87 58.57 3llx n SER 362 Cb 0.60 1.75 0.23 0.00 -0.26 0.00 0.00 64.21 66.54 3llx n SER 362 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3llx n ASP 363 N -2.07 2.87 0.00 4.04 5.68 -1.26 -4.93 116.55 120.89 3llx n ASP 363 Ca -0.02 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 3llx n ASP 363 Cb 0.49 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3llx n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3llx n GLY 364 N 1.30 1.34 3.91 6.12 0.00 -1.26 -5.05 105.19 111.56 3llx n GLY 364 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3llx n GLY 364 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3llx s SER 365 N -3.15 4.38 -0.22 1.61 1.04 -1.26 -4.87 113.70 111.24 3llx s SER 365 Ca 0.00 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 3llx s SER 365 Cb 0.00 -1.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.06 3llx s SER 365 CO 0.00 -1.95 -0.07 -2.28 0.98 0.00 0.00 173.24 169.92 3llx s HIS 366 N -3.53 2.94 0.31 5.02 2.46 -1.26 -4.44 115.29 116.79 3llx s HIS 366 Ca 0.63 -1.09 0.10 0.00 0.47 0.00 0.00 55.06 55.17 3llx s HIS 366 Cb -0.10 -2.07 -0.06 0.00 -0.13 0.00 0.00 32.58 30.22 3llx s HIS 366 CO 0.48 -0.60 -0.12 -0.80 -2.47 0.00 0.00 174.74 171.23 3llx s ASN 367 N 1.44 3.53 0.06 9.88 -0.87 -0.64 -4.98 114.94 123.36 3llx s ASN 367 Ca 0.05 -1.15 0.06 0.00 -1.57 0.00 0.00 52.86 50.25 3llx s ASN 367 Cb -0.14 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.25 40.76 3llx s ASN 367 CO -0.05 -0.16 -0.16 0.42 -2.57 0.00 0.00 177.10 174.58 3llx s THR 368 N -2.65 1.30 -0.03 1.60 -4.23 -1.26 -0.16 115.64 110.21 3llx s THR 368 Ca 0.31 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 3llx s THR 368 Cb 0.01 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 3llx s THR 368 CO 0.15 -0.06 -0.18 0.26 -0.54 0.00 0.00 174.62 174.25 3llx s TRP 369 N -1.05 1.69 -0.14 3.99 0.51 -0.23 -4.97 118.94 118.74 3llx s TRP 369 Ca 0.02 -0.39 -0.20 0.00 -2.12 0.00 0.00 56.10 53.41 3llx s TRP 369 Cb -0.09 -1.11 -0.03 0.00 -0.81 0.00 0.00 33.47 31.43 3llx s TRP 369 CO 0.02 -0.08 0.59 -0.65 -0.51 0.00 0.00 176.95 176.32 3llx s GLN 370 N -0.25 4.31 0.25 4.98 -1.52 -1.26 -0.88 119.66 125.29 3llx s GLN 370 Ca 0.03 0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 53.76 3llx s GLN 370 Cb -0.09 -3.50 -0.09 0.00 -0.22 0.00 0.00 33.01 29.11 3llx s GLN 370 CO 0.00 -0.03 1.10 0.50 -0.25 0.00 0.00 175.29 176.61 3llx s ARG 371 N 1.20 4.63 -0.39 2.91 3.52 -0.31 -4.47 118.95 126.03 3llx s ARG 371 Ca 0.30 1.78 -0.27 0.00 -0.13 0.00 0.00 55.73 57.41 3llx s ARG 371 Cb -0.16 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3llx s ARG 371 CO 0.12 0.18 0.98 0.42 -0.81 0.00 0.00 175.30 176.19 3llx s ILE 372 N -0.91 4.50 0.37 4.11 1.01 0.53 -4.96 121.20 125.84 3llx s ILE 372 Ca 0.46 1.19 0.08 0.00 0.00 0.00 0.00 60.65 62.37 3llx s ILE 372 Cb -0.31 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 3llx s ILE 372 CO 0.39 -0.65 0.26 0.42 0.00 0.00 0.00 174.94 175.36 3llx s THR 373 N 3.70 3.03 0.00 2.92 -4.23 -1.26 -4.91 115.64 114.89 3llx s THR 373 Ca 0.40 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3llx s THR 373 Cb -0.11 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3llx s THR 373 CO 0.22 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3llx n GLY 374 N -1.35 -1.70 0.00 3.99 0.00 -1.26 -4.91 105.19 99.97 3llx n GLY 374 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3llx n GLY 374 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11