#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xaf n LYS 3 N 0.00 0.05 -4.12 -1.46 5.02 -1.26 -4.64 118.16 111.75 1xaf n LYS 3 Ca 0.00 0.35 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 1xaf n LYS 3 Cb 0.00 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.25 1xaf n LYS 3 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xaf s LEU 4 N -3.42 1.82 -0.13 -0.35 1.02 -1.26 -1.29 118.68 115.07 1xaf s LEU 4 Ca 0.05 -0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.04 1xaf s LEU 4 Cb 0.08 -0.27 -0.04 0.00 0.02 0.00 0.00 46.19 45.97 1xaf s LEU 4 CO 0.24 0.03 0.13 -0.63 0.02 0.00 0.00 176.35 176.14 1xaf s ILE 5 N 0.15 5.41 -0.35 -0.59 1.01 0.42 -4.94 121.20 122.31 1xaf s ILE 5 Ca -0.01 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1xaf s ILE 5 Cb -0.05 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1xaf s ILE 5 CO -0.00 0.58 0.19 -0.69 0.00 0.00 0.00 174.94 175.02 1xaf s VAL 6 N -0.74 4.64 0.22 2.92 1.01 -1.26 -1.12 120.40 126.07 1xaf s VAL 6 Ca 0.13 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1xaf s VAL 6 Cb -0.12 -3.49 -0.15 0.00 0.00 0.00 0.00 36.38 32.62 1xaf s VAL 6 CO 0.03 -0.10 1.04 -2.65 0.00 0.00 0.00 175.10 173.42 1xaf n PRO 7 N 5.00 1.10 -3.40 2.72 -0.02 -1.26 -4.90 135.00 134.24 1xaf n PRO 7 Ca -0.13 0.39 -0.44 0.00 -2.02 0.00 0.00 63.50 61.30 1xaf n PRO 7 Cb 0.48 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 1xaf n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xaf s GLN 8 N -0.88 2.83 0.22 -0.52 -1.52 -1.26 -4.95 119.66 113.57 1xaf s GLN 8 Ca 0.67 -1.78 -0.20 0.00 -1.95 0.00 0.00 55.36 52.10 1xaf s GLN 8 Cb -0.81 -4.16 0.03 0.00 -0.22 0.00 0.00 33.01 27.85 1xaf s GLN 8 CO 0.56 -1.28 0.62 1.67 -0.25 0.00 0.00 175.29 176.61 1xaf s TRP 9 N 1.42 -0.24 -1.06 0.91 1.48 -1.26 -4.51 118.94 115.68 1xaf s TRP 9 Ca 0.05 -0.11 -0.22 0.00 -1.06 0.00 0.00 56.10 54.76 1xaf s TRP 9 Cb -0.28 0.55 -0.09 0.00 -1.16 0.00 0.00 33.47 32.49 1xaf s TRP 9 CO 0.01 -1.03 1.92 -0.35 -4.06 0.00 0.00 176.95 173.45 1xaf n PRO 10 N -0.40 1.77 -1.64 3.25 -0.04 -1.26 -4.93 135.00 131.75 1xaf n PRO 10 Ca -0.09 -2.33 -0.45 0.00 -0.04 0.00 0.00 63.50 60.59 1xaf n PRO 10 Cb 0.62 -3.40 -0.04 0.00 -0.04 0.00 0.00 33.50 30.64 1xaf n PRO 10 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xaf n LEU 11 N 10.98 3.65 -4.77 1.53 7.94 -1.26 -4.92 117.00 130.16 1xaf n LEU 11 Ca 0.47 0.75 -0.39 0.00 -1.11 0.00 0.00 56.01 55.74 1xaf n LEU 11 Cb 0.44 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1xaf n LEU 11 CO 0.83 -0.11 0.96 -2.84 -1.11 0.00 0.00 177.39 175.12 1xaf s PRO 12 N 4.84 3.83 0.23 1.96 0.02 -1.26 -4.96 135.00 139.66 1xaf s PRO 12 Ca 0.94 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.80 1xaf s PRO 12 Cb -0.52 -2.65 -0.15 0.00 0.02 0.00 0.00 34.50 31.20 1xaf s PRO 12 CO 0.44 -0.60 0.97 1.63 -0.33 0.00 0.00 177.00 179.11 1xaf n LYS 13 N -0.10 1.02 -0.17 5.54 5.02 -1.26 -1.97 118.16 126.25 1xaf n LYS 13 Ca 0.05 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1xaf n LYS 13 Cb 0.44 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1xaf n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xaf n GLY 14 N 1.61 0.87 3.25 0.72 0.00 -1.26 -4.44 105.19 105.94 1xaf n GLY 14 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1xaf n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xaf s VAL 15 N -2.52 1.62 0.02 1.61 1.01 -0.83 0.19 120.40 121.50 1xaf s VAL 15 Ca 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 1xaf s VAL 15 Cb 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1xaf s VAL 15 CO 0.00 0.08 0.12 0.00 0.00 0.00 0.00 175.10 175.30 1xaf s ALA 16 N -0.95 -0.23 0.02 5.51 0.00 -0.74 -4.76 121.76 120.63 1xaf s ALA 16 Ca 0.06 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 1xaf s ALA 16 Cb -0.09 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1xaf s ALA 16 CO 0.03 -0.25 0.31 0.00 0.00 0.00 0.00 175.76 175.84 1xaf s ALA 17 N -1.87 -0.73 0.17 0.00 0.00 -1.26 -1.55 121.76 116.52 1xaf s ALA 17 Ca -0.11 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1xaf s ALA 17 Cb -0.05 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1xaf s ALA 17 CO -0.01 -0.36 0.45 0.00 0.00 0.00 0.00 175.76 175.85 1xaf s SER 19 N -2.87 0.14 0.47 0.00 0.15 -0.27 0.10 113.70 111.42 1xaf s SER 19 Ca 0.09 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1xaf s SER 19 Cb 0.00 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1xaf s SER 19 CO -0.04 -0.10 0.73 -0.94 1.20 0.00 0.00 173.24 174.09 1xaf s SER 20 N 0.85 5.98 0.49 5.45 1.04 -0.15 0.16 113.70 127.52 1xaf s SER 20 Ca -0.07 0.58 0.02 0.00 0.48 0.00 0.00 55.95 56.96 1xaf s SER 20 Cb -0.11 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.14 1xaf s SER 20 CO -0.02 -0.68 0.01 0.42 0.98 0.00 0.00 173.24 173.95 1xaf s THR 21 N -2.66 1.35 -1.39 2.02 -4.23 -0.41 -4.59 115.64 105.74 1xaf s THR 21 Ca 0.48 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 59.24 1xaf s THR 21 Cb -0.10 -2.34 0.41 0.00 1.34 0.00 0.00 72.50 71.81 1xaf s THR 21 CO 0.41 0.00 1.83 -2.11 -0.54 0.00 0.00 174.62 174.21 1xaf n ARG 22 N -1.21 0.32 -3.15 3.99 1.85 0.03 -4.62 116.66 113.87 1xaf n ARG 22 Ca -0.16 0.05 -0.37 0.00 -1.00 0.00 0.00 57.85 56.38 1xaf n ARG 22 Cb 0.67 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.52 1xaf n ARG 22 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1xaf s ILE 23 N -2.61 4.61 0.00 8.89 1.01 -1.26 0.24 121.20 132.07 1xaf s ILE 23 Ca 0.22 1.28 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1xaf s ILE 23 Cb 0.17 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1xaf s ILE 23 CO 0.38 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1xaf n GLY 24 N 1.06 0.89 0.00 6.18 0.00 -1.26 -4.13 105.19 107.92 1xaf n GLY 24 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xaf n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xaf n GLY 25 N -2.20 3.61 0.00 -0.02 0.00 -1.26 -4.88 105.19 100.44 1xaf n GLY 25 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1xaf n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xaf n VAL 26 N 0.00 0.06 -2.15 1.61 0.24 -1.08 -4.75 118.33 112.27 1xaf n VAL 26 Ca 0.00 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.69 1xaf n VAL 26 Cb 0.00 1.42 0.01 0.00 -1.47 0.00 0.00 33.84 33.79 1xaf n VAL 26 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xaf s SER 27 N -0.06 5.74 0.20 -1.34 0.01 -0.16 -5.00 113.70 113.10 1xaf s SER 27 Ca 0.00 1.98 -0.01 0.00 1.31 0.00 0.00 55.95 59.23 1xaf s SER 27 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1xaf s SER 27 CO 0.00 -1.20 0.40 -0.76 0.41 0.00 0.00 173.24 172.09 1xaf s LEU 28 N -4.16 4.22 0.34 2.44 1.43 -1.26 -4.06 118.68 117.64 1xaf s LEU 28 Ca 0.68 0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 53.94 1xaf s LEU 28 Cb -0.19 -3.19 -0.13 0.00 0.03 0.00 0.00 46.19 42.70 1xaf s LEU 28 CO 0.31 -0.04 0.93 -2.65 0.23 0.00 0.00 176.35 175.12 1xaf n PRO 29 N -0.63 1.19 -0.10 1.29 -0.02 -1.26 -0.79 135.00 134.69 1xaf n PRO 29 Ca -0.04 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1xaf n PRO 29 Cb 0.54 -1.82 0.21 0.00 -0.02 0.00 0.00 33.50 32.40 1xaf n PRO 29 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xaf n PRO 30 N 0.54 1.53 -0.34 0.52 -0.04 -1.26 -4.81 135.00 131.14 1xaf n PRO 30 Ca 0.10 -0.82 0.09 0.00 -0.04 0.00 0.00 63.50 62.83 1xaf n PRO 30 Cb 0.35 -1.24 0.26 0.00 -0.04 0.00 0.00 33.50 32.83 1xaf n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xaf n TYR 31 N 0.12 0.86 -2.02 0.54 4.02 0.03 -3.99 117.16 116.73 1xaf n TYR 31 Ca 0.10 -0.41 -0.42 0.00 -0.01 0.00 0.00 57.90 57.16 1xaf n TYR 31 Cb 0.21 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1xaf n TYR 31 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xaf s ASP 32 N -0.96 6.68 0.00 7.72 -4.77 -1.14 -3.57 116.67 120.64 1xaf s ASP 32 Ca 0.39 2.37 0.00 0.00 -3.30 0.00 0.00 52.55 52.01 1xaf s ASP 32 Cb 0.21 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1xaf s ASP 32 CO 0.25 -0.84 0.00 -1.54 0.70 0.00 0.00 175.17 173.74 1xaf n SER 33 N 5.51 2.94 -3.12 2.11 3.41 0.14 -4.84 113.62 119.77 1xaf n SER 33 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.41 1xaf n SER 33 Cb 0.41 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1xaf n SER 33 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xaf n LEU 34 N -1.35 7.61 -4.67 1.04 7.94 0.71 -0.99 117.00 127.30 1xaf n LEU 34 Ca 0.00 -4.49 -0.42 0.00 -1.11 0.00 0.00 56.01 49.99 1xaf n LEU 34 Cb 0.27 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 42.83 1xaf n LEU 34 CO 0.00 1.96 1.18 0.21 -1.11 0.00 0.00 177.39 179.64 1xaf s ASN 35 N 0.79 6.83 0.04 1.96 3.04 -1.23 -4.68 114.94 121.69 1xaf s ASN 35 Ca 0.59 2.00 0.23 0.00 0.04 0.00 0.00 52.86 55.72 1xaf s ASN 35 Cb 0.24 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.40 1xaf s ASN 35 CO -0.11 -0.80 0.97 0.18 -3.04 0.00 0.00 177.10 174.30 1xaf n LEU 36 N 6.35 0.60 -4.69 3.21 4.77 -0.71 -4.59 117.00 121.94 1xaf n LEU 36 Ca 0.15 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1xaf n LEU 36 Cb 0.44 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1xaf n LEU 36 CO 0.59 0.06 0.86 -0.83 -1.33 0.00 0.00 177.39 176.73 1xaf s GLY 37 N -3.67 2.25 0.00 -0.72 0.00 -1.26 -4.94 107.32 98.98 1xaf s GLY 37 Ca 0.03 0.47 0.27 0.00 0.00 0.00 0.00 44.72 45.49 1xaf s GLY 37 CO 0.82 2.04 1.60 0.00 0.00 0.00 0.00 173.10 177.55 1xaf n ALA 38 N 5.09 3.08 -2.01 3.20 0.00 -1.26 -4.26 120.51 124.35 1xaf n ALA 38 Ca 0.10 -0.37 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 1xaf n ALA 38 Cb 0.48 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1xaf n ALA 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xaf n HIS 39 N -0.83 2.17 -0.76 0.00 8.25 -1.26 -4.64 115.22 118.16 1xaf n HIS 39 Ca 0.12 -2.07 0.06 0.00 -0.26 0.00 0.00 57.72 55.56 1xaf n HIS 39 Cb 0.34 -0.32 0.08 0.00 1.12 0.00 0.00 29.99 31.21 1xaf n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xaf n GLY 41 N -0.97 0.71 3.87 0.00 0.00 -1.26 -4.74 105.19 102.80 1xaf n GLY 41 Ca 0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1xaf n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xaf s ASP 42 N -2.23 5.71 -0.06 1.61 2.15 -1.26 -4.99 116.67 117.60 1xaf s ASP 42 Ca 0.00 1.26 -0.29 0.00 0.43 0.00 0.00 52.55 53.94 1xaf s ASP 42 Cb 0.00 -2.15 -0.07 0.00 -0.30 0.00 0.00 42.92 40.40 1xaf s ASP 42 CO 0.00 -1.19 2.01 0.21 -0.17 0.00 0.00 175.17 176.03 1xaf s ASN 43 N -4.27 6.15 0.53 -0.34 3.84 -1.26 -4.89 114.94 114.71 1xaf s ASN 43 Ca 0.57 2.36 0.32 0.00 0.21 0.00 0.00 52.86 56.32 1xaf s ASN 43 Cb -0.11 -2.52 1.32 0.00 -0.55 0.00 0.00 41.25 39.38 1xaf s ASN 43 CO 0.53 -1.34 1.97 1.55 -2.79 0.00 0.00 177.10 177.02 1xaf h PRO 44 N 11.92 0.00 -0.22 0.43 0.13 -1.95 -0.66 132.00 141.65 1xaf h PRO 44 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 1xaf h PRO 44 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xaf h PRO 44 CO 0.95 0.04 -0.54 -0.44 -0.23 0.00 0.00 178.00 177.78 1xaf h ASP 45 N 0.00 0.72 -0.64 1.44 3.32 -1.99 -1.39 116.42 117.88 1xaf h ASP 45 Ca -0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 1xaf h ASP 45 Cb 0.53 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1xaf h ASP 45 CO 0.01 1.12 0.20 0.45 -1.72 0.00 0.00 179.24 179.29 1xaf h HIS 46 N 0.50 1.03 -0.51 4.55 3.86 -1.54 -1.82 115.15 121.21 1xaf h HIS 46 Ca 0.01 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1xaf h HIS 46 Cb 1.10 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1xaf h HIS 46 CO 0.05 0.84 0.23 0.28 0.86 0.00 0.00 177.93 180.19 1xaf h VAL 47 N 0.92 1.20 -0.28 2.45 2.07 -1.10 -0.01 116.25 121.50 1xaf h VAL 47 Ca 0.20 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 1xaf h VAL 47 Cb 0.30 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1xaf h VAL 47 CO -0.01 0.23 -0.27 1.05 0.02 0.00 0.00 177.57 178.59 1xaf h GLU 48 N 0.68 0.56 -0.70 1.57 4.11 -1.10 -0.79 114.58 118.90 1xaf h GLU 48 Ca 0.17 -0.22 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1xaf h GLU 48 Cb 0.15 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1xaf h GLU 48 CO -0.02 0.77 0.20 1.49 0.07 0.00 0.00 179.01 181.52 1xaf h GLU 49 N 0.48 1.11 -0.72 1.06 4.57 -0.92 -0.54 114.58 119.62 1xaf h GLU 49 Ca 0.07 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1xaf h GLU 49 Cb 0.72 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1xaf h GLU 49 CO 0.06 0.96 0.30 -0.91 -1.18 0.00 0.00 179.01 178.24 1xaf h ASN 50 N 1.05 0.98 -0.12 1.04 2.35 -0.50 0.15 115.58 120.53 1xaf h ASN 50 Ca 0.22 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1xaf h ASN 50 Cb 0.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1xaf h ASN 50 CO -0.00 0.87 0.04 0.03 -1.65 0.00 0.00 177.43 176.72 1xaf h ARG 51 N 1.02 0.18 -0.35 0.81 3.08 -1.02 -1.22 114.38 116.88 1xaf h ARG 51 Ca 0.24 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.32 1xaf h ARG 51 Cb 0.19 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1xaf h ARG 51 CO -0.02 0.31 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.90 1xaf h LYS 52 N 0.03 0.03 -0.70 0.04 3.64 -0.87 -0.23 116.57 118.50 1xaf h LYS 52 Ca 0.04 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1xaf h LYS 52 Cb 0.19 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1xaf h LYS 52 CO -0.00 0.02 0.45 0.00 -2.27 0.00 0.00 179.45 177.64 1xaf h ARG 53 N 0.03 0.85 -0.11 1.90 3.08 -0.90 -1.86 114.38 117.37 1xaf h ARG 53 Ca 0.17 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1xaf h ARG 53 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xaf h ARG 53 CO -0.34 0.56 -0.09 1.25 -1.07 0.00 0.00 179.97 180.28 1xaf h LEU 54 N 0.88 0.27 -1.07 3.04 7.12 -0.86 -2.10 115.31 122.59 1xaf h LEU 54 Ca 0.28 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 1xaf h LEU 54 Cb -0.00 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.02 1xaf h LEU 54 CO -0.10 0.68 0.40 -0.26 -0.13 0.00 0.00 178.44 179.02 1xaf h PHE 55 N -0.14 1.03 0.84 1.25 0.05 -0.90 0.22 116.94 119.28 1xaf h PHE 55 Ca 0.02 -0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.74 1xaf h PHE 55 Cb 0.60 -0.33 0.01 0.00 2.00 0.00 0.00 35.95 38.23 1xaf h PHE 55 CO 0.08 0.72 -0.40 0.00 -0.18 0.00 0.00 178.31 178.53 1xaf h ALA 56 N 1.39 -1.12 -0.85 2.45 0.00 -1.34 -2.00 119.26 117.78 1xaf h ALA 56 Ca 0.26 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1xaf h ALA 56 Cb 0.05 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1xaf h ALA 56 CO -0.04 -1.08 0.55 0.00 0.00 0.00 0.00 179.25 178.68 1xaf h ALA 57 N -1.13 1.66 0.00 0.00 0.00 -1.07 -1.12 119.26 117.60 1xaf h ALA 57 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xaf h ALA 57 Cb 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xaf h ALA 57 CO 0.19 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1xaf n GLY 58 N -1.42 -1.39 3.72 0.00 0.00 0.75 -4.92 105.19 101.93 1xaf n GLY 58 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1xaf n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xaf n ASN 59 N -1.84 -4.15 -4.77 1.61 5.15 -0.42 -4.97 115.26 105.86 1xaf n ASN 59 Ca 0.05 -0.70 -0.41 0.00 -0.60 0.00 0.00 54.58 52.92 1xaf n ASN 59 Cb 0.30 -4.41 -0.03 0.00 -0.53 0.00 0.00 39.78 35.12 1xaf n ASN 59 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xaf s LEU 60 N -7.05 4.46 0.02 1.20 1.43 -0.80 -4.93 118.68 113.00 1xaf s LEU 60 Ca 0.42 2.57 0.28 0.00 -1.03 0.00 0.00 54.13 56.37 1xaf s LEU 60 Cb -0.20 -3.65 1.18 0.00 0.03 0.00 0.00 46.19 43.55 1xaf s LEU 60 CO 0.79 -0.43 1.90 -0.81 0.23 0.00 0.00 176.35 178.02 1xaf n PRO 61 N 0.90 0.02 -3.77 1.29 -0.04 -1.26 -4.90 135.00 127.23 1xaf n PRO 61 Ca -0.00 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1xaf n PRO 61 Cb 0.43 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1xaf n PRO 61 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xaf s SER 62 N -3.11 -0.18 0.41 3.54 1.04 -1.26 -5.03 113.70 109.10 1xaf s SER 62 Ca 0.13 -0.43 -0.24 0.00 0.48 0.00 0.00 55.95 55.89 1xaf s SER 62 Cb 0.18 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.73 1xaf s SER 62 CO 0.52 -0.95 1.12 -0.54 0.98 0.00 0.00 173.24 174.37 1xaf s LYS 63 N -3.34 4.06 0.47 4.02 1.02 -1.26 -4.81 119.74 119.90 1xaf s LYS 63 Ca 0.12 1.71 -0.25 0.00 0.02 0.00 0.00 55.97 57.58 1xaf s LYS 63 Cb -0.02 -2.60 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 1xaf s LYS 63 CO 0.03 -0.28 1.39 -0.35 -0.92 0.00 0.00 175.35 175.22 1xaf n PRO 64 N -0.04 2.09 -2.68 -1.68 -0.04 -1.26 -4.59 135.00 126.80 1xaf n PRO 64 Ca 0.05 0.75 -0.43 0.00 -0.04 0.00 0.00 63.50 63.83 1xaf n PRO 64 Cb 0.48 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 1xaf n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xaf s VAL 65 N -1.21 4.26 0.26 0.52 1.01 -0.96 -4.99 120.40 119.29 1xaf s VAL 65 Ca 0.63 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1xaf s VAL 65 Cb -0.45 -5.04 -0.11 0.00 0.00 0.00 0.00 36.38 30.78 1xaf s VAL 65 CO 0.56 -1.86 1.51 0.26 0.00 0.00 0.00 175.10 175.58 1xaf s TRP 66 N 3.91 2.92 0.40 5.22 0.52 -1.26 -4.45 118.94 126.20 1xaf s TRP 66 Ca 0.46 0.88 0.00 0.00 0.02 0.00 0.00 56.10 57.47 1xaf s TRP 66 Cb 0.00 -3.93 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 1xaf s TRP 66 CO -0.03 -3.11 0.61 -0.51 0.02 0.00 0.00 176.95 173.94 1xaf s LEU 67 N -0.25 3.83 -0.84 2.99 1.43 -1.26 -5.02 118.68 119.56 1xaf s LEU 67 Ca 0.62 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 1xaf s LEU 67 Cb -0.44 -3.26 0.16 0.00 0.03 0.00 0.00 46.19 42.68 1xaf s LEU 67 CO 0.44 -0.50 0.94 -0.70 0.23 0.00 0.00 176.35 176.75 1xaf s GLU 68 N -4.44 3.50 -0.00 1.70 2.12 0.12 -4.97 118.70 116.73 1xaf s GLU 68 Ca 0.44 -1.91 -0.30 0.00 0.36 0.00 0.00 54.97 53.56 1xaf s GLU 68 Cb -0.10 -4.63 -0.03 0.00 0.26 0.00 0.00 34.13 29.62 1xaf s GLU 68 CO 0.37 -1.58 1.03 -0.65 -0.54 0.00 0.00 175.26 173.89 1xaf s GLN 69 N 1.86 4.52 -0.02 4.30 -0.21 -1.24 -2.11 119.66 126.76 1xaf s GLN 69 Ca 0.24 1.49 0.03 0.00 0.02 0.00 0.00 55.36 57.14 1xaf s GLN 69 Cb -0.10 -3.45 0.05 0.00 1.00 0.00 0.00 33.01 30.51 1xaf s GLN 69 CO -0.06 -0.12 1.00 1.33 -2.12 0.00 0.00 175.29 175.31 1xaf n VAL 70 N 3.99 1.08 -2.08 1.09 0.24 -1.26 -4.97 118.33 116.41 1xaf n VAL 70 Ca 0.07 -1.14 -0.18 0.00 -2.04 0.00 0.00 64.34 61.05 1xaf n VAL 70 Cb 0.50 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 1xaf n VAL 70 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1xaf n HIS 71 N -0.62 -0.58 -0.86 6.34 8.25 -1.26 -5.00 115.22 121.48 1xaf n HIS 71 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1xaf n HIS 71 Cb 0.33 -3.41 0.00 0.00 1.12 0.00 0.00 29.99 28.04 1xaf n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xaf n GLY 72 N -0.94 1.82 0.12 -1.41 0.00 -1.26 -3.83 105.19 99.70 1xaf n GLY 72 Ca -0.20 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 43.99 1xaf n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xaf n LYS 73 N 0.00 1.25 -2.83 1.61 2.85 -1.26 -4.32 118.16 115.46 1xaf n LYS 73 Ca 0.00 -1.47 -0.40 0.00 -1.05 0.00 0.00 58.31 55.39 1xaf n LYS 73 Cb 0.00 -0.92 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 1xaf n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xaf s ASP 74 N -1.29 7.53 -0.16 -5.58 1.01 -1.26 -4.62 116.67 112.30 1xaf s ASP 74 Ca 0.09 1.82 -0.00 0.00 0.71 0.00 0.00 52.55 55.16 1xaf s ASP 74 Cb 0.08 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 1xaf s ASP 74 CO 0.01 0.14 -0.13 -0.69 0.21 0.00 0.00 175.17 174.70 1xaf s VAL 75 N -0.96 2.82 -0.32 -1.27 1.01 -1.26 -0.59 120.40 119.83 1xaf s VAL 75 Ca 0.40 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1xaf s VAL 75 Cb -0.25 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1xaf s VAL 75 CO 0.30 0.50 0.38 -0.22 0.00 0.00 0.00 175.10 176.06 1xaf s LEU 76 N 0.83 4.32 -0.18 3.92 2.96 -0.10 -4.97 118.68 125.46 1xaf s LEU 76 Ca -0.04 -0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 1xaf s LEU 76 Cb -0.15 -2.39 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1xaf s LEU 76 CO 0.00 -0.32 1.14 -0.54 -1.32 0.00 0.00 176.35 175.31 1xaf s LYS 77 N 2.08 4.27 -1.41 1.98 1.02 -1.26 -1.64 119.74 124.78 1xaf s LYS 77 Ca 0.13 1.50 -0.14 0.00 0.02 0.00 0.00 55.97 57.49 1xaf s LYS 77 Cb -0.16 -3.68 0.06 0.00 -0.52 0.00 0.00 37.83 33.53 1xaf s LYS 77 CO 0.11 -0.62 2.10 1.28 -0.92 0.00 0.00 175.35 177.30 1xaf n LEU 78 N 6.26 6.48 0.11 3.17 4.77 0.83 -4.67 117.00 133.95 1xaf n LEU 78 Ca 0.12 -4.15 0.12 0.00 -0.03 0.00 0.00 56.01 52.07 1xaf n LEU 78 Cb 0.46 -1.66 0.08 0.00 -2.33 0.00 0.00 43.42 39.96 1xaf n LEU 78 CO 0.54 0.96 0.24 0.71 -1.33 0.00 0.00 177.39 178.50 1xaf h THR 79 N 4.27 0.00 0.00 -5.08 1.35 -1.92 -3.46 112.91 108.07 1xaf h THR 79 Ca 0.53 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xaf h THR 79 Cb 0.68 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1xaf h THR 79 CO 1.78 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.66 1xaf n GLY 80 N 1.21 3.53 0.56 5.82 0.00 -1.26 -5.06 105.19 109.99 1xaf n GLY 80 Ca 0.02 -0.12 0.37 0.00 0.00 0.00 0.00 46.02 46.29 1xaf n GLY 80 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xaf h GLU 81 N 0.00 0.00 -5.96 1.61 5.08 -1.99 -3.34 114.58 109.98 1xaf h GLU 81 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1xaf h GLU 81 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1xaf h GLU 81 CO 0.00 0.00 1.24 -2.14 -1.00 0.00 0.00 179.01 177.11 1xaf s PRO 82 N -4.86 2.66 -0.12 2.33 0.02 -1.26 -4.93 135.00 128.84 1xaf s PRO 82 Ca -0.05 0.38 -0.02 0.00 0.02 0.00 0.00 61.00 61.34 1xaf s PRO 82 Cb 0.22 -4.50 -0.03 0.00 0.02 0.00 0.00 34.50 30.22 1xaf s PRO 82 CO 0.78 -2.80 -0.06 0.71 -0.33 0.00 0.00 177.00 175.30 1xaf s TYR 83 N 8.99 2.97 0.48 6.54 1.51 -1.25 -5.03 117.35 131.57 1xaf s TYR 83 Ca 0.65 -0.21 0.15 0.00 -1.01 0.00 0.00 57.07 56.65 1xaf s TYR 83 Cb -0.11 -1.85 1.16 0.00 -0.11 0.00 0.00 41.96 41.05 1xaf s TYR 83 CO 0.16 0.09 2.09 0.00 -1.11 0.00 0.00 175.55 176.78 1xaf h ALA 84 N 6.12 2.00 -1.80 3.71 0.00 -1.95 -3.44 119.26 123.90 1xaf h ALA 84 Ca -0.37 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1xaf h ALA 84 Cb 1.19 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 1xaf h ALA 84 CO 0.58 -0.04 0.29 0.45 0.00 0.00 0.00 179.25 180.53 1xaf s SER 85 N -6.76 -0.60 -0.13 0.00 0.15 -1.26 -5.02 113.70 100.08 1xaf s SER 85 Ca -0.06 1.16 0.18 0.00 0.70 0.00 0.00 55.95 57.92 1xaf s SER 85 Cb 0.18 1.18 0.74 0.00 -1.71 0.00 0.00 66.02 66.40 1xaf s SER 85 CO 0.70 -0.20 1.64 0.29 1.20 0.00 0.00 173.24 176.88 1xaf n LYS 86 N 2.50 3.88 -2.02 5.44 5.02 -1.26 -4.91 118.16 126.80 1xaf n LYS 86 Ca -0.13 -2.89 -0.36 0.00 -2.02 0.00 0.00 58.31 52.91 1xaf n LYS 86 Cb 0.55 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1xaf n LYS 86 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xaf s ARG 87 N -1.96 2.58 0.03 1.97 0.52 -1.26 0.11 118.95 120.94 1xaf s ARG 87 Ca 0.51 0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 55.88 1xaf s ARG 87 Cb 0.34 -4.55 0.10 0.00 0.52 0.00 0.00 34.95 31.36 1xaf s ARG 87 CO 0.24 -2.91 0.84 0.00 0.02 0.00 0.00 175.30 173.49 1xaf s ALA 88 N 9.46 -1.78 -0.00 2.13 0.00 -0.89 -4.89 121.76 125.78 1xaf s ALA 88 Ca 0.69 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xaf s ALA 88 Cb -0.11 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1xaf s ALA 88 CO 0.16 -0.71 0.72 -0.25 0.00 0.00 0.00 175.76 175.68 1xaf n ASP 89 N -0.27 1.45 -3.95 0.00 8.00 0.25 -3.72 116.55 118.29 1xaf n ASP 89 Ca -0.10 -1.44 -0.09 0.00 0.71 0.00 0.00 54.79 53.87 1xaf n ASP 89 Cb 0.62 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.63 1xaf n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xaf s ALA 90 N -0.44 0.03 0.12 2.24 0.00 -0.86 -0.02 121.76 122.83 1xaf s ALA 90 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1xaf s ALA 90 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1xaf s ALA 90 CO 0.00 -0.35 -0.05 -1.54 0.00 0.00 0.00 175.76 173.82 1xaf s SER 91 N -2.37 1.23 -0.01 0.00 1.04 -0.07 -0.92 113.70 112.60 1xaf s SER 91 Ca -0.02 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.37 1xaf s SER 91 Cb 0.01 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1xaf s SER 91 CO -0.06 -0.48 -0.01 -0.47 0.98 0.00 0.00 173.24 173.20 1xaf s TYR 92 N -3.60 0.22 0.00 5.02 5.04 -0.65 -1.97 117.35 121.41 1xaf s TYR 92 Ca 0.16 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 1xaf s TYR 92 Cb 0.05 -0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.12 1xaf s TYR 92 CO -0.02 -0.05 -0.04 0.45 -1.34 0.00 0.00 175.55 174.55 1xaf s SER 93 N 0.42 0.48 -0.15 4.32 0.15 -0.71 -0.12 113.70 118.09 1xaf s SER 93 Ca -0.04 -0.13 0.18 0.00 0.70 0.00 0.00 55.95 56.66 1xaf s SER 93 Cb -0.06 -0.04 0.34 0.00 -1.71 0.00 0.00 66.02 64.55 1xaf s SER 93 CO -0.01 0.01 1.21 -0.46 1.20 0.00 0.00 173.24 175.19 1xaf n ASN 94 N 2.79 2.61 -4.26 5.45 0.23 -1.26 -1.19 115.26 119.62 1xaf n ASN 94 Ca -0.14 -3.13 -0.37 0.00 -0.53 0.00 0.00 54.58 50.41 1xaf n ASN 94 Cb 0.58 -0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 37.70 1xaf n ASN 94 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1xaf s THR 95 N -2.90 3.65 0.24 5.53 2.01 -1.26 -4.91 115.64 118.00 1xaf s THR 95 Ca 0.34 -1.13 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1xaf s THR 95 Cb 0.30 -3.05 -0.14 0.00 0.01 0.00 0.00 72.50 69.62 1xaf s THR 95 CO 0.04 -0.14 1.33 -2.65 -0.69 0.00 0.00 174.62 172.51 1xaf n PRO 96 N 4.78 1.86 0.00 4.92 -0.02 -1.26 -2.06 135.00 143.22 1xaf n PRO 96 Ca -0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1xaf n PRO 96 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1xaf n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xaf n GLY 97 N 1.96 2.62 3.68 -1.23 0.00 -0.39 -5.00 105.19 106.84 1xaf n GLY 97 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1xaf n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xaf s THR 98 N -2.67 5.05 -0.36 2.61 2.01 -0.87 -4.27 115.64 117.13 1xaf s THR 98 Ca 0.00 1.24 -0.15 0.00 0.31 0.00 0.00 61.69 63.08 1xaf s THR 98 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 1xaf s THR 98 CO 0.00 0.17 0.36 -0.69 -0.69 0.00 0.00 174.62 173.77 1xaf s VAL 99 N 1.45 5.17 0.06 3.82 1.01 -1.26 -4.25 120.40 126.40 1xaf s VAL 99 Ca 0.31 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1xaf s VAL 99 Cb -0.16 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1xaf s VAL 99 CO 0.12 -0.16 0.98 0.00 0.00 0.00 0.00 175.10 176.05 1xaf s ALA 101 N 0.48 -0.51 0.00 0.00 0.00 -1.26 -0.97 121.76 119.50 1xaf s ALA 101 Ca 0.50 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1xaf s ALA 101 Cb -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1xaf s ALA 101 CO 0.29 -0.11 0.00 1.33 0.00 0.00 0.00 175.76 177.27 1xaf n VAL 102 N 3.11 0.00 0.00 0.00 0.24 -0.08 -4.59 118.33 117.01 1xaf n VAL 102 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1xaf n VAL 102 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1xaf n VAL 102 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xaf n THR 104 N 0.00 0.00 -2.72 3.34 -2.24 -1.26 -0.56 114.28 110.84 1xaf n THR 104 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1xaf n THR 104 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1xaf n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xaf n ALA 105 N -1.21 -0.46 0.00 6.98 0.00 -1.26 -4.60 120.51 119.96 1xaf n ALA 105 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1xaf n ALA 105 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xaf n ALA 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xaf n ASP 106 N 0.18 0.00 -4.73 0.00 8.00 -1.26 -0.62 116.55 118.12 1xaf n ASP 106 Ca 0.04 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.19 1xaf n ASP 106 Cb 0.73 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.91 1xaf n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xaf s LEU 108 N -4.84 4.23 -0.02 0.00 2.96 -0.97 -4.54 118.68 115.49 1xaf s LEU 108 Ca 0.77 1.83 -0.20 0.00 -0.22 0.00 0.00 54.13 56.31 1xaf s LEU 108 Cb -0.31 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.79 1xaf s LEU 108 CO 0.42 -0.75 0.58 -2.16 -1.32 0.00 0.00 176.35 173.12 1xaf s PRO 109 N 3.23 4.31 -0.06 0.98 0.05 -1.26 0.32 135.00 142.58 1xaf s PRO 109 Ca 0.58 0.69 0.02 0.00 0.05 0.00 0.00 61.00 62.34 1xaf s PRO 109 Cb -0.25 -3.36 0.02 0.00 0.05 0.00 0.00 34.50 30.96 1xaf s PRO 109 CO 0.19 0.33 -0.10 0.08 0.05 0.00 0.00 177.00 177.55 1xaf s VAL 110 N -0.04 1.00 -0.05 -0.36 1.01 -0.44 0.30 120.40 121.82 1xaf s VAL 110 Ca 0.30 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1xaf s VAL 110 Cb -0.18 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1xaf s VAL 110 CO 0.16 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 1xaf s LEU 111 N 0.72 2.85 0.04 3.92 1.43 -0.81 -0.23 118.68 126.60 1xaf s LEU 111 Ca -0.14 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1xaf s LEU 111 Cb -0.15 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1xaf s LEU 111 CO 0.03 0.35 -0.17 -0.36 0.23 0.00 0.00 176.35 176.43 1xaf s PHE 112 N -0.76 1.45 0.22 0.29 0.08 0.69 -0.70 117.98 119.25 1xaf s PHE 112 Ca 0.12 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.63 1xaf s PHE 112 Cb -0.11 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1xaf s PHE 112 CO 0.01 0.05 0.57 0.00 -0.10 0.00 0.00 175.22 175.75 1xaf s ASN 114 N -2.90 5.75 0.49 0.00 4.22 -1.07 0.23 114.94 121.67 1xaf s ASN 114 Ca 0.11 0.02 0.20 0.00 -2.14 0.00 0.00 52.86 51.05 1xaf s ASN 114 Cb -0.02 -1.60 1.23 0.00 1.28 0.00 0.00 41.25 42.14 1xaf s ASN 114 CO 0.01 0.13 2.00 0.03 -2.04 0.00 0.00 177.10 177.22 1xaf h ARG 115 N 2.85 0.17 0.00 3.55 3.08 -1.44 0.00 114.38 122.59 1xaf h ARG 115 Ca -0.47 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1xaf h ARG 115 Cb 1.18 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1xaf h ARG 115 CO 0.67 0.11 -0.02 0.00 -1.07 0.00 0.00 179.97 179.66 1xaf h ALA 116 N 1.74 1.01 -2.37 0.04 0.00 -1.94 -3.45 119.26 114.30 1xaf h ALA 116 Ca 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xaf h ALA 116 Cb 0.76 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.58 1xaf h ALA 116 CO -0.04 0.03 -0.18 0.41 0.00 0.00 0.00 179.25 179.47 1xaf n GLY 117 N -0.09 0.52 0.00 0.00 0.00 -0.01 -4.92 105.19 100.69 1xaf n GLY 117 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1xaf n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xaf n THR 118 N -3.02 0.00 -3.81 2.61 -2.24 -1.26 -4.71 114.28 101.86 1xaf n THR 118 Ca -0.01 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1xaf n THR 118 Cb 0.52 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.62 1xaf n THR 118 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xaf s GLU 119 N -1.04 0.15 0.25 -0.78 2.02 -1.26 -4.54 118.70 113.50 1xaf s GLU 119 Ca 0.01 0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.27 1xaf s GLU 119 Cb 0.01 0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.20 1xaf s GLU 119 CO 0.05 -0.05 -0.00 0.14 0.02 0.00 0.00 175.26 175.41 1xaf s VAL 120 N 0.34 1.14 -0.04 2.63 -7.23 -0.33 -2.59 120.40 114.32 1xaf s VAL 120 Ca -0.02 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.81 1xaf s VAL 120 Cb -0.03 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.57 1xaf s VAL 120 CO -0.01 -0.27 0.74 0.00 -0.31 0.00 0.00 175.10 175.24 1xaf s ALA 121 N -3.35 -1.78 -0.02 1.32 0.00 -0.55 -1.74 121.76 115.65 1xaf s ALA 121 Ca 0.30 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.49 1xaf s ALA 121 Cb 0.06 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1xaf s ALA 121 CO 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 175.76 175.39 1xaf s ALA 122 N -1.69 0.39 -0.04 0.00 0.00 -0.83 -0.22 121.76 119.36 1xaf s ALA 122 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1xaf s ALA 122 Cb -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1xaf s ALA 122 CO 0.04 0.03 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 1xaf s VAL 123 N 0.34 0.75 -0.58 0.00 1.01 0.67 -0.89 120.40 121.70 1xaf s VAL 123 Ca -0.03 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1xaf s VAL 123 Cb -0.07 -0.71 0.11 0.00 0.00 0.00 0.00 36.38 35.71 1xaf s VAL 123 CO -0.01 0.26 0.67 -2.28 0.00 0.00 0.00 175.10 173.74 1xaf s HIS 124 N 0.65 3.04 -0.88 5.22 5.65 0.97 -1.33 115.29 128.61 1xaf s HIS 124 Ca -0.10 -1.00 -0.07 0.00 0.25 0.00 0.00 55.06 54.14 1xaf s HIS 124 Cb -0.13 -3.95 0.22 0.00 -1.18 0.00 0.00 32.58 27.54 1xaf s HIS 124 CO 0.01 -1.24 0.80 0.00 -0.65 0.00 0.00 174.74 173.66 1xaf s ALA 125 N 2.50 4.20 0.94 1.58 0.00 0.15 -4.81 121.76 126.32 1xaf s ALA 125 Ca 0.10 -3.60 -0.11 0.00 0.00 0.00 0.00 51.96 48.35 1xaf s ALA 125 Cb -0.25 -3.16 0.16 0.00 0.00 0.00 0.00 23.12 19.87 1xaf s ALA 125 CO 0.06 -2.19 1.10 0.20 0.00 0.00 0.00 175.76 174.93 1xaf s GLY 126 N 0.96 1.64 0.31 0.00 0.00 -1.26 -2.29 107.32 106.68 1xaf s GLY 126 Ca 0.24 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.23 1xaf s GLY 126 CO -0.09 0.74 1.92 0.11 0.00 0.00 0.00 173.10 175.79 1xaf h TRP 127 N -1.85 0.99 -0.44 1.90 5.08 -1.96 0.45 115.95 120.12 1xaf h TRP 127 Ca -0.48 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.47 1xaf h TRP 127 Cb 1.28 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 1xaf h TRP 127 CO 0.45 0.52 0.09 0.00 -1.28 0.00 0.00 178.44 178.23 1xaf h ARG 128 N 0.98 0.71 -0.24 0.12 3.08 -1.92 0.41 114.38 117.51 1xaf h ARG 128 Ca 0.37 -0.18 -0.20 0.00 0.07 0.00 0.00 59.98 60.04 1xaf h ARG 128 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1xaf h ARG 128 CO -0.13 0.72 -0.63 0.78 -1.07 0.00 0.00 179.97 179.64 1xaf h GLY 129 N 0.58 0.94 0.92 0.04 0.00 -1.57 -1.24 103.07 102.74 1xaf h GLY 129 Ca 0.14 -1.17 0.01 0.00 0.00 0.00 0.00 47.33 46.31 1xaf h GLY 129 CO 0.00 1.04 0.22 -2.00 0.00 0.00 0.00 176.54 175.81 1xaf h LEU 130 N 0.63 0.36 -0.04 3.11 5.85 -0.84 -0.66 115.31 123.72 1xaf h LEU 130 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xaf h LEU 130 Cb 1.25 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1xaf h LEU 130 CO 0.14 0.26 0.02 0.00 -0.34 0.00 0.00 178.44 178.52 1xaf n ALA 132 N -2.16 2.17 -0.33 0.00 0.00 -0.48 -4.88 120.51 114.83 1xaf n ALA 132 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xaf n ALA 132 Cb 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1xaf n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xaf n GLY 133 N 0.16 1.30 0.23 0.00 0.00 -0.73 -5.01 105.19 101.14 1xaf n GLY 133 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1xaf n GLY 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xaf h VAL 134 N 0.00 1.25 0.10 1.61 3.04 -1.33 -1.42 116.25 119.50 1xaf h VAL 134 Ca 0.00 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.50 1xaf h VAL 134 Cb 0.14 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1xaf h VAL 134 CO 0.00 0.37 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.82 1xaf h LEU 135 N 0.37 -0.11 -0.79 3.16 3.38 -1.86 -0.49 115.31 118.97 1xaf h LEU 135 Ca 0.06 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.78 1xaf h LEU 135 Cb 0.61 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1xaf h LEU 135 CO 0.04 0.37 0.35 -0.33 0.09 0.00 0.00 178.44 178.96 1xaf h GLU 136 N -0.63 0.48 -0.35 1.13 3.07 -1.88 0.11 114.58 116.50 1xaf h GLU 136 Ca -0.01 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1xaf h GLU 136 Cb 0.50 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1xaf h GLU 136 CO 0.02 0.31 0.20 1.49 -1.40 0.00 0.00 179.01 179.64 1xaf h GLU 137 N 0.49 0.41 -0.64 2.33 4.57 -1.13 -1.40 114.58 119.20 1xaf h GLU 137 Ca 0.44 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.56 1xaf h GLU 137 Cb 0.67 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1xaf h GLU 137 CO -0.40 0.27 0.24 1.15 -1.18 0.00 0.00 179.01 179.09 1xaf h THR 138 N 0.42 1.24 -0.69 0.32 2.02 -0.47 -2.98 112.91 112.77 1xaf h THR 138 Ca 0.14 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1xaf h THR 138 Cb 0.00 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1xaf h THR 138 CO -0.07 0.30 0.26 0.58 0.37 0.00 0.00 175.52 176.97 1xaf h VAL 139 N 0.91 1.25 0.00 3.16 2.07 -0.58 -2.05 116.25 121.00 1xaf h VAL 139 Ca 0.21 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1xaf h VAL 139 Cb 0.23 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1xaf h VAL 139 CO -0.01 0.31 0.00 -1.54 0.02 0.00 0.00 177.57 176.35 1xaf n SER 140 N -4.36 0.00 0.19 0.57 3.41 -0.55 -1.68 113.62 111.20 1xaf n SER 140 Ca 0.05 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1xaf n SER 140 Cb 0.18 -0.46 0.22 0.00 -0.26 0.00 0.00 64.21 63.90 1xaf n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xaf s PHE 142 N -3.26 3.49 0.24 0.00 0.08 -0.67 -4.94 117.98 112.91 1xaf s PHE 142 Ca 0.04 1.62 0.10 0.00 0.12 0.00 0.00 56.93 58.81 1xaf s PHE 142 Cb 0.08 -3.36 0.24 0.00 -0.57 0.00 0.00 43.02 39.41 1xaf s PHE 142 CO 0.68 -0.81 1.54 0.00 -0.10 0.00 0.00 175.22 176.54 1xaf h ALA 143 N 3.97 0.85 -2.42 5.36 0.00 -1.89 -3.46 119.26 121.67 1xaf h ALA 143 Ca -0.47 -0.63 -0.49 0.00 0.00 0.00 0.00 54.91 53.33 1xaf h ALA 143 Cb 1.21 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 19.00 1xaf h ALA 143 CO 0.68 0.87 0.34 0.34 0.00 0.00 0.00 179.25 181.48 1xaf s ASP 144 N -6.81 4.53 0.30 0.00 -1.08 -1.26 -5.03 116.67 107.32 1xaf s ASP 144 Ca -0.01 1.28 -0.21 0.00 -0.52 0.00 0.00 52.55 53.09 1xaf s ASP 144 Cb 0.12 -2.01 -0.09 0.00 -1.46 0.00 0.00 42.92 39.48 1xaf s ASP 144 CO 0.77 -1.94 0.82 -0.54 0.52 0.00 0.00 175.17 174.80 1xaf s LYS 145 N -5.18 4.31 0.53 4.34 -0.14 -1.26 -4.94 119.74 117.39 1xaf s LYS 145 Ca 0.61 1.01 0.35 0.00 -1.36 0.00 0.00 55.97 56.58 1xaf s LYS 145 Cb -0.14 -2.69 1.52 0.00 -1.68 0.00 0.00 37.83 34.83 1xaf s LYS 145 CO 0.54 0.27 1.79 -1.35 -0.76 0.00 0.00 175.35 175.84 1xaf h PRO 146 N 2.96 0.03 0.00 -1.68 0.11 -1.86 0.14 132.00 131.70 1xaf h PRO 146 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1xaf h PRO 146 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xaf h PRO 146 CO 0.65 0.02 -0.11 1.49 -0.21 0.00 0.00 178.00 179.83 1xaf h GLU 147 N 0.03 0.00 -0.17 1.05 4.81 -1.92 -0.43 114.58 117.96 1xaf h GLU 147 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1xaf h GLU 147 Cb 2.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.62 1xaf h GLU 147 CO -0.04 0.11 0.00 0.09 -0.73 0.00 0.00 179.01 178.45 1xaf n ASN 148 N -4.39 1.97 -4.72 1.04 3.02 0.48 -4.83 115.26 107.83 1xaf n ASN 148 Ca -0.03 -1.73 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 1xaf n ASN 148 Cb 0.19 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1xaf n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xaf s ILE 149 N -1.79 5.22 -0.04 2.41 1.01 -0.17 -0.98 121.20 126.86 1xaf s ILE 149 Ca 0.34 0.83 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 1xaf s ILE 149 Cb 0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1xaf s ILE 149 CO 0.28 0.34 0.13 -0.76 0.00 0.00 0.00 174.94 174.94 1xaf s LEU 150 N 0.63 4.21 -0.04 2.97 1.43 0.14 -4.15 118.68 123.86 1xaf s LEU 150 Ca 0.23 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1xaf s LEU 150 Cb -0.14 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1xaf s LEU 150 CO 0.08 0.31 -0.04 0.00 0.23 0.00 0.00 176.35 176.93 1xaf s ALA 151 N -1.19 0.64 -0.16 4.21 0.00 -0.17 -1.85 121.76 123.25 1xaf s ALA 151 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1xaf s ALA 151 Cb -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1xaf s ALA 151 CO 0.13 -0.04 -0.18 -0.46 0.00 0.00 0.00 175.76 175.21 1xaf s TRP 152 N 0.97 2.75 -0.32 0.00 -0.00 0.12 -0.30 118.94 122.17 1xaf s TRP 152 Ca -0.10 -1.23 -0.22 0.00 -0.00 0.00 0.00 56.10 54.55 1xaf s TRP 152 Cb -0.14 -1.88 -0.00 0.00 -0.00 0.00 0.00 33.47 31.44 1xaf s TRP 152 CO -0.00 -0.58 0.70 -0.51 -0.00 0.00 0.00 176.95 176.56 1xaf s LEU 153 N 0.93 4.14 0.97 5.86 1.43 0.55 -1.92 118.68 130.63 1xaf s LEU 153 Ca -0.04 0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 1xaf s LEU 153 Cb -0.15 -2.92 0.20 0.00 0.03 0.00 0.00 46.19 43.35 1xaf s LEU 153 CO -0.03 -0.56 1.31 -0.83 0.23 0.00 0.00 176.35 176.47 1xaf s GLY 154 N 1.67 1.77 -0.01 -3.19 0.00 0.15 -1.37 107.32 106.33 1xaf s GLY 154 Ca 0.28 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 1xaf s GLY 154 CO 0.13 -0.41 1.66 -4.14 0.00 0.00 0.00 173.10 170.33 1xaf s PRO 155 N -5.86 4.19 0.31 2.90 0.02 -1.26 -4.57 135.00 130.73 1xaf s PRO 155 Ca 0.74 2.24 0.03 0.00 0.02 0.00 0.00 61.00 64.03 1xaf s PRO 155 Cb -0.04 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.58 1xaf s PRO 155 CO 0.53 -0.80 0.17 0.00 -0.33 0.00 0.00 177.00 176.57 1xaf s ALA 156 N 3.57 1.97 -0.00 -1.55 0.00 -1.26 -4.53 121.76 119.96 1xaf s ALA 156 Ca 0.74 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1xaf s ALA 156 Cb -0.36 1.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.88 1xaf s ALA 156 CO 0.31 -0.52 1.51 -1.50 0.00 0.00 0.00 175.76 175.57 1xaf s ILE 157 N -3.59 3.54 0.76 0.00 2.07 -0.10 -0.80 121.20 123.09 1xaf s ILE 157 Ca 0.36 0.88 -0.09 0.00 -1.41 0.00 0.00 60.65 60.39 1xaf s ILE 157 Cb 0.05 -3.56 0.09 0.00 0.13 0.00 0.00 42.46 39.16 1xaf s ILE 157 CO 0.18 -0.02 1.09 -0.83 -1.91 0.00 0.00 174.94 173.45 1xaf s GLY 158 N 2.36 1.68 0.52 1.50 0.00 -1.26 -4.64 107.32 107.48 1xaf s GLY 158 Ca 0.68 -0.96 0.35 0.00 0.00 0.00 0.00 44.72 44.79 1xaf s GLY 158 CO 0.28 -0.48 2.06 -0.56 0.00 0.00 0.00 173.10 174.40 1xaf h PRO 159 N -0.83 0.00 -0.01 2.90 0.13 -1.93 -0.51 132.00 131.75 1xaf h PRO 159 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xaf h PRO 159 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xaf h PRO 159 CO 0.57 0.00 -0.26 0.54 -0.23 0.00 0.00 178.00 178.62 1xaf n ARG 160 N -2.78 0.91 0.00 0.86 1.74 -1.26 -4.23 116.66 111.90 1xaf n ARG 160 Ca -0.02 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 1xaf n ARG 160 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1xaf n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xaf n ALA 161 N -0.56 1.85 -2.46 7.54 0.00 -0.47 -4.96 120.51 121.45 1xaf n ALA 161 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1xaf n ALA 161 Cb 0.36 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1xaf n ALA 161 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1xaf s PHE 162 N -1.85 2.41 -0.15 0.00 5.36 -0.33 -4.96 117.98 118.46 1xaf s PHE 162 Ca 0.00 -0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 55.20 1xaf s PHE 162 Cb 0.00 -4.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.06 1xaf s PHE 162 CO 0.00 -1.87 0.32 -2.00 -1.46 0.00 0.00 175.22 170.21 1xaf s GLU 163 N 5.31 4.27 0.22 10.12 2.12 -1.26 -0.33 118.70 139.14 1xaf s GLU 163 Ca 0.52 0.15 0.03 0.00 0.36 0.00 0.00 54.97 56.03 1xaf s GLU 163 Cb -0.01 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1xaf s GLU 163 CO -0.06 0.23 0.01 0.14 -0.54 0.00 0.00 175.26 175.04 1xaf s VAL 164 N 0.48 0.87 0.54 3.70 -7.23 -0.30 -4.97 120.40 113.50 1xaf s VAL 164 Ca 0.18 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1xaf s VAL 164 Cb -0.13 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1xaf s VAL 164 CO 0.05 -0.33 0.87 -0.83 -0.31 0.00 0.00 175.10 174.55 1xaf s GLY 165 N -3.27 1.56 0.37 2.32 0.00 -1.26 -1.82 107.32 105.22 1xaf s GLY 165 Ca 0.28 -0.49 0.19 0.00 0.00 0.00 0.00 44.72 44.71 1xaf s GLY 165 CO 0.08 -0.26 1.63 0.00 0.00 0.00 0.00 173.10 174.54 1xaf h ALA 166 N -0.02 2.15 -0.19 3.20 0.00 -1.93 -0.75 119.26 121.72 1xaf h ALA 166 Ca -0.46 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xaf h ALA 166 Cb 1.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1xaf h ALA 166 CO 0.61 -0.83 0.11 1.49 0.00 0.00 0.00 179.25 180.63 1xaf h GLU 167 N 0.17 0.25 -0.04 0.00 4.57 -1.97 -0.83 114.58 116.73 1xaf h GLU 167 Ca 0.79 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.91 1xaf h GLU 167 Cb 2.02 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 1xaf h GLU 167 CO -0.64 0.18 -0.15 0.28 -1.18 0.00 0.00 179.01 177.50 1xaf h VAL 168 N 0.25 1.47 -0.57 0.32 2.07 -1.50 -0.94 116.25 117.36 1xaf h VAL 168 Ca 0.07 -1.62 0.11 0.00 0.82 0.00 0.00 66.70 66.08 1xaf h VAL 168 Cb -0.01 2.44 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 1xaf h VAL 168 CO -0.01 0.44 0.10 -0.09 0.02 0.00 0.00 177.57 178.03 1xaf h ARG 169 N -0.41 0.22 -0.29 1.57 2.43 -1.52 -2.11 114.38 114.27 1xaf h ARG 169 Ca -0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1xaf h ARG 169 Cb 0.80 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1xaf h ARG 169 CO 0.03 0.14 0.06 0.93 -1.51 0.00 0.00 179.97 179.63 1xaf h GLU 170 N 0.22 0.17 -0.02 0.20 5.08 -1.03 -3.01 114.58 116.19 1xaf h GLU 170 Ca 0.30 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1xaf h GLU 170 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1xaf h GLU 170 CO -0.40 0.11 -0.07 0.00 -1.00 0.00 0.00 179.01 177.65 1xaf h ALA 171 N 1.21 -0.05 0.00 3.43 0.00 -0.90 -1.09 119.26 121.86 1xaf h ALA 171 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xaf h ALA 171 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xaf h ALA 171 CO -0.17 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 179.72 1xaf n PHE 172 N -5.19 0.00 0.00 0.00 3.72 -0.82 -3.07 117.46 112.10 1xaf n PHE 172 Ca -0.06 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1xaf n PHE 172 Cb 0.12 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1xaf n PHE 172 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xaf n ALA 174 N 0.86 0.00 -0.01 4.37 0.00 -0.42 -1.71 120.51 123.59 1xaf n ALA 174 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1xaf n ALA 174 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 1xaf n ALA 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xaf h VAL 175 N 0.00 1.34 -2.02 0.00 2.07 -1.82 -3.47 116.25 112.34 1xaf h VAL 175 Ca 0.00 -2.40 0.06 0.00 0.82 0.00 0.00 66.70 65.18 1xaf h VAL 175 Cb 0.00 2.95 -0.20 0.00 -1.52 0.00 0.00 31.29 32.51 1xaf h VAL 175 CO 0.00 0.63 -0.11 -0.62 0.02 0.00 0.00 177.57 177.49 1xaf s ASP 176 N -6.79 -1.07 0.00 0.57 2.15 -0.69 -5.04 116.67 105.79 1xaf s ASP 176 Ca -0.19 1.54 0.22 0.00 0.43 0.00 0.00 52.55 54.55 1xaf s ASP 176 Cb 0.02 2.07 1.01 0.00 -0.30 0.00 0.00 42.92 45.71 1xaf s ASP 176 CO 0.74 -0.22 1.71 0.00 -0.17 0.00 0.00 175.17 177.23 1xaf n ALA 177 N 5.19 2.06 -0.37 3.66 0.00 -1.26 -0.43 120.51 129.36 1xaf n ALA 177 Ca -0.14 -0.09 0.29 0.00 0.00 0.00 0.00 53.44 53.50 1xaf n ALA 177 Cb 0.51 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 19.17 1xaf n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xaf h LYS 178 N 0.00 0.25 -0.85 0.00 1.57 -1.96 -2.84 116.57 112.75 1xaf h LYS 178 Ca 0.00 -0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.98 1xaf h LYS 178 Cb 0.31 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1xaf h LYS 178 CO 0.00 0.17 0.58 0.00 -0.57 0.00 0.00 179.45 179.63 1xaf h ALA 179 N 1.61 2.44 -0.86 3.86 0.00 -1.04 -2.43 119.26 122.83 1xaf h ALA 179 Ca 0.68 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.81 1xaf h ALA 179 Cb 1.94 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 1xaf h ALA 179 CO -0.34 -0.69 0.59 0.66 0.00 0.00 0.00 179.25 179.47 1xaf h SER 180 N 0.23 0.22 0.03 0.00 4.64 -1.72 0.05 113.55 116.99 1xaf h SER 180 Ca 0.42 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1xaf h SER 180 Cb 1.30 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xaf h SER 180 CO -0.10 0.09 -0.01 0.00 -0.87 0.00 0.00 176.83 175.93 1xaf h ALA 181 N 1.60 1.66 -0.13 5.18 0.00 -1.67 -2.89 119.26 123.02 1xaf h ALA 181 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xaf h ALA 181 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xaf h ALA 181 CO -0.10 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1xaf n ALA 182 N -2.39 2.53 -2.41 0.00 0.00 0.01 -4.85 120.51 113.40 1xaf n ALA 182 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1xaf n ALA 182 Cb 0.10 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.28 1xaf n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xaf s PHE 183 N -1.84 2.18 -0.05 0.00 0.08 -1.09 -0.34 117.98 116.92 1xaf s PHE 183 Ca 0.34 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1xaf s PHE 183 Cb 0.18 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1xaf s PHE 183 CO 0.28 -0.06 -0.04 0.42 -0.10 0.00 0.00 175.22 175.71 1xaf s ILE 184 N -0.50 0.55 0.49 0.64 1.01 -0.78 -4.96 121.20 117.65 1xaf s ILE 184 Ca 0.07 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.40 1xaf s ILE 184 Cb -0.10 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.70 1xaf s ILE 184 CO -0.00 0.23 0.77 0.00 0.00 0.00 0.00 174.94 175.94 1xaf n GLN 185 N 4.13 0.87 -2.92 2.79 6.02 -1.26 -0.21 117.38 126.80 1xaf n GLN 185 Ca -0.23 0.32 -0.12 0.00 -0.01 0.00 0.00 57.00 56.95 1xaf n GLN 185 Cb 0.51 -1.86 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 1xaf n GLN 185 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1xaf n HIS 186 N -1.12 -2.61 0.00 1.08 -0.00 0.36 -4.68 115.22 108.24 1xaf n HIS 186 Ca 0.11 -2.19 0.00 0.00 0.46 0.00 0.00 57.72 56.10 1xaf n HIS 186 Cb 0.43 1.01 0.00 0.00 -0.12 0.00 0.00 29.99 31.31 1xaf n HIS 186 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xaf n GLY 187 N 2.14 0.48 1.66 1.57 0.00 -1.26 -2.52 105.19 107.26 1xaf n GLY 187 Ca 0.17 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1xaf n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xaf n ASP 188 N 6.47 4.17 -4.25 1.61 9.92 -1.26 -4.93 116.55 128.29 1xaf n ASP 188 Ca 0.00 -2.86 -0.25 0.00 -0.53 0.00 0.00 54.79 51.15 1xaf n ASP 188 Cb 0.00 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.72 1xaf n ASP 188 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1xaf s LYS 189 N -2.35 1.88 0.09 -1.24 3.01 -1.05 -4.43 119.74 115.65 1xaf s LYS 189 Ca 0.41 -2.13 0.04 0.00 -1.01 0.00 0.00 55.97 53.28 1xaf s LYS 189 Cb 0.32 -0.74 -0.03 0.00 -1.01 0.00 0.00 37.83 36.37 1xaf s LYS 189 CO 0.10 -0.40 -0.11 0.71 0.51 0.00 0.00 175.35 176.16 1xaf s TYR 190 N -3.21 1.10 -0.23 3.18 1.51 -0.76 0.13 117.35 119.08 1xaf s TYR 190 Ca 0.25 -0.58 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 1xaf s TYR 190 Cb 0.04 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1xaf s TYR 190 CO 0.14 0.02 0.11 -0.51 -1.11 0.00 0.00 175.55 174.20 1xaf s LEU 191 N -2.21 3.86 -0.04 -1.29 1.43 0.71 -1.15 118.68 119.98 1xaf s LEU 191 Ca 0.03 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1xaf s LEU 191 Cb -0.05 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1xaf s LEU 191 CO 0.01 0.07 -0.03 0.00 0.23 0.00 0.00 176.35 176.63 1xaf s ALA 192 N 1.00 3.15 -0.65 4.21 0.00 0.55 -1.87 121.76 128.15 1xaf s ALA 192 Ca 0.06 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1xaf s ALA 192 Cb -0.14 -1.31 0.17 0.00 0.00 0.00 0.00 23.12 21.84 1xaf s ALA 192 CO 0.03 0.60 0.58 0.34 0.00 0.00 0.00 175.76 177.31 1xaf s ASP 193 N -1.11 6.25 0.45 0.00 -1.08 0.53 -3.99 116.67 117.72 1xaf s ASP 193 Ca 0.15 -2.28 0.13 0.00 -0.52 0.00 0.00 52.55 50.03 1xaf s ASP 193 Cb -0.11 -2.14 1.03 0.00 -1.46 0.00 0.00 42.92 40.23 1xaf s ASP 193 CO 0.05 -0.67 2.04 -0.29 0.52 0.00 0.00 175.17 176.82 1xaf h ILE 194 N 5.42 1.09 -0.27 4.11 6.09 -1.87 -1.67 117.51 130.41 1xaf h ILE 194 Ca -0.09 -0.39 -0.17 0.00 -1.37 0.00 0.00 64.86 62.84 1xaf h ILE 194 Cb 1.06 1.09 -0.00 0.00 0.47 0.00 0.00 36.82 39.43 1xaf h ILE 194 CO 0.86 0.12 -0.51 1.88 -3.07 0.00 0.00 178.15 177.44 1xaf h TYR 195 N 0.12 0.95 -0.41 2.19 0.05 -1.92 -1.06 116.97 116.89 1xaf h TYR 195 Ca 0.03 -0.32 -0.03 0.00 0.05 0.00 0.00 58.73 58.46 1xaf h TYR 195 Cb 0.17 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1xaf h TYR 195 CO 0.00 1.11 0.16 0.37 -1.05 0.00 0.00 178.16 178.75 1xaf h GLN 196 N 0.60 0.63 -0.36 4.88 4.15 -1.81 -1.05 115.11 122.14 1xaf h GLN 196 Ca 0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1xaf h GLN 196 Cb 1.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1xaf h GLN 196 CO 0.11 0.59 0.19 -0.07 -1.93 0.00 0.00 178.83 177.72 1xaf h LEU 197 N 0.53 0.46 -0.31 -2.39 3.38 -1.23 -1.99 115.31 113.75 1xaf h LEU 197 Ca 0.14 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xaf h LEU 197 Cb 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xaf h LEU 197 CO -0.01 0.44 0.13 0.00 0.09 0.00 0.00 178.44 179.08 1xaf h ALA 198 N 1.05 0.37 -0.65 1.53 0.00 -1.13 -2.13 119.26 118.29 1xaf h ALA 198 Ca 0.13 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xaf h ALA 198 Cb 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xaf h ALA 198 CO -0.02 -0.27 0.43 0.00 0.00 0.00 0.00 179.25 179.39 1xaf h ARG 199 N 0.28 0.65 -0.19 0.00 3.08 -1.02 -0.39 114.38 116.78 1xaf h ARG 199 Ca 0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1xaf h ARG 199 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1xaf h ARG 199 CO -0.12 0.43 -0.02 1.96 -1.07 0.00 0.00 179.97 181.15 1xaf h GLN 200 N 0.67 0.35 -0.78 0.04 4.20 -1.09 -1.12 115.11 117.37 1xaf h GLN 200 Ca 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1xaf h GLN 200 Cb 0.23 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1xaf h GLN 200 CO -0.08 0.57 0.36 0.00 -0.67 0.00 0.00 178.83 179.01 1xaf h ARG 201 N 0.09 1.14 -0.49 1.46 2.47 -0.77 -1.25 114.38 117.02 1xaf h ARG 201 Ca 0.05 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 1xaf h ARG 201 Cb 0.43 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1xaf h ARG 201 CO 0.01 0.89 0.06 -0.07 0.56 0.00 0.00 179.97 181.42 1xaf h LEU 202 N 1.12 0.81 -0.47 3.04 3.38 -1.04 -2.78 115.31 119.38 1xaf h LEU 202 Ca 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xaf h LEU 202 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1xaf h LEU 202 CO -0.03 0.88 0.05 0.00 0.09 0.00 0.00 178.44 179.42 1xaf h ALA 203 N 0.96 0.62 -0.95 1.53 0.00 -0.90 -1.50 119.26 119.01 1xaf h ALA 203 Ca 0.15 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.08 1xaf h ALA 203 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1xaf h ALA 203 CO 0.01 0.38 0.67 -0.91 0.00 0.00 0.00 179.25 179.40 1xaf h ASN 204 N 0.65 0.08 -0.00 0.00 2.35 -0.97 -1.08 115.58 116.61 1xaf h ASN 204 Ca 0.14 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1xaf h ASN 204 Cb 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xaf h ASN 204 CO 0.01 0.02 -0.75 0.52 -1.65 0.00 0.00 177.43 175.59 1xaf n VAL 205 N -4.31 0.00 -0.04 2.81 0.31 -0.88 -4.98 118.33 111.23 1xaf n VAL 205 Ca 0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1xaf n VAL 205 Cb 0.97 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.96 1xaf n VAL 205 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xaf n GLY 206 N 1.40 0.80 3.63 2.92 0.00 -0.41 -4.78 105.19 108.76 1xaf n GLY 206 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1xaf n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xaf s VAL 207 N -2.03 4.75 -0.05 1.61 1.01 -0.63 -3.44 120.40 121.62 1xaf s VAL 207 Ca 0.00 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.58 1xaf s VAL 207 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 1xaf s VAL 207 CO 0.00 -0.21 0.17 -0.62 0.00 0.00 0.00 175.10 174.45 1xaf n GLU 208 N 6.25 0.77 -3.18 2.72 1.02 -1.26 -3.89 120.64 123.07 1xaf n GLU 208 Ca 0.07 -0.06 -0.46 0.00 -0.02 0.00 0.00 57.16 56.70 1xaf n GLU 208 Cb 0.47 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 1xaf n GLU 208 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xaf s GLN 209 N -2.40 3.36 -0.10 3.49 -1.52 -1.26 -5.02 119.66 116.21 1xaf s GLN 209 Ca -0.02 -1.88 0.03 0.00 -1.95 0.00 0.00 55.36 51.54 1xaf s GLN 209 Cb 0.05 -4.47 0.01 0.00 -0.22 0.00 0.00 33.01 28.38 1xaf s GLN 209 CO 0.30 -1.47 -0.20 0.42 -0.25 0.00 0.00 175.29 174.09 1xaf s ILE 210 N 1.64 1.77 0.26 1.08 1.01 -1.26 -1.00 121.20 124.70 1xaf s ILE 210 Ca 0.17 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1xaf s ILE 210 Cb -0.16 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 1xaf s ILE 210 CO -0.03 0.50 -0.01 -0.36 0.00 0.00 0.00 174.94 175.04 1xaf s PHE 211 N 0.62 1.74 0.00 3.97 0.40 0.58 -4.99 117.98 120.31 1xaf s PHE 211 Ca -0.13 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1xaf s PHE 211 Cb -0.16 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1xaf s PHE 211 CO 0.04 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.42 1xaf n GLY 212 N -0.51 0.04 2.16 4.36 0.00 -1.26 -0.33 105.19 109.64 1xaf n GLY 212 Ca -0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1xaf n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xaf n GLY 213 N 0.00 0.08 0.46 -0.02 0.00 -0.47 -4.78 105.19 100.46 1xaf n GLY 213 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.52 1xaf n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xaf n ASP 214 N 0.45 2.14 -4.86 1.61 3.85 -1.26 -5.00 116.55 113.47 1xaf n ASP 214 Ca -0.10 -1.59 -0.21 0.00 -0.71 0.00 0.00 54.79 52.18 1xaf n ASP 214 Cb 0.56 -0.06 -0.04 0.00 -1.35 0.00 0.00 41.12 40.23 1xaf n ASP 214 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1xaf s ARG 215 N -0.89 2.55 -0.16 0.11 1.81 -1.26 -5.12 118.95 115.98 1xaf s ARG 215 Ca 0.15 -1.51 -0.04 0.00 -1.72 0.00 0.00 55.73 52.61 1xaf s ARG 215 Cb 0.09 -2.37 0.07 0.00 -0.45 0.00 0.00 34.95 32.30 1xaf s ARG 215 CO 0.13 -0.12 0.21 0.00 -0.68 0.00 0.00 175.30 174.84 1xaf h THR 217 N 6.32 1.17 -0.06 0.00 1.35 -1.29 -1.65 112.91 118.75 1xaf h THR 217 Ca -0.15 -0.49 -0.12 0.00 -0.55 0.00 0.00 66.41 65.10 1xaf h THR 217 Cb 1.13 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1xaf h THR 217 CO 0.21 0.20 -0.41 0.22 -0.25 0.00 0.00 175.52 175.49 1xaf h TYR 218 N 0.69 0.54 0.21 4.73 3.20 -1.87 -3.33 116.97 121.14 1xaf h TYR 218 Ca 0.17 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1xaf h TYR 218 Cb 0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1xaf h TYR 218 CO 0.01 1.01 -0.10 1.15 -1.64 0.00 0.00 178.16 178.59 1xaf h THR 219 N -0.09 0.86 -0.57 1.81 2.02 -1.94 -3.37 112.91 111.64 1xaf h THR 219 Ca -0.03 -0.44 -0.72 0.00 0.77 0.00 0.00 66.41 65.98 1xaf h THR 219 Cb 1.08 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.54 1xaf h THR 219 CO 0.08 0.10 2.81 -0.62 0.37 0.00 0.00 175.52 178.27 1xaf n GLU 220 N -5.12 3.41 0.16 6.66 1.02 -0.63 -4.76 120.64 121.39 1xaf n GLU 220 Ca -0.09 -2.93 0.12 0.00 -0.02 0.00 0.00 57.16 54.24 1xaf n GLU 220 Cb 0.21 -3.03 0.58 0.00 -0.02 0.00 0.00 31.44 29.18 1xaf n GLU 220 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1xaf h ASN 221 N 5.62 0.00 0.79 1.62 7.08 -1.76 -0.30 115.58 128.63 1xaf h ASN 221 Ca 0.57 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.79 1xaf h ASN 221 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.79 1xaf h ASN 221 CO 1.75 0.00 -0.66 -0.62 -2.08 0.00 0.00 177.43 175.81 1xaf n GLU 222 N -2.30 0.27 -0.08 4.14 -0.58 -1.26 -4.29 120.64 116.53 1xaf n GLU 222 Ca -0.00 0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.72 1xaf n GLU 222 Cb 0.11 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.21 1xaf n GLU 222 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1xaf n THR 223 N -2.05 1.05 -4.31 2.62 -1.04 -0.23 -4.74 114.28 105.59 1xaf n THR 223 Ca 0.03 -0.58 -0.20 0.00 -2.04 0.00 0.00 64.05 61.27 1xaf n THR 223 Cb 0.43 -0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 68.05 1xaf n THR 223 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1xaf s PHE 224 N -2.37 1.24 0.50 -1.42 0.08 -0.56 -0.79 117.98 114.66 1xaf s PHE 224 Ca -0.13 -0.38 -0.20 0.00 0.12 0.00 0.00 56.93 56.34 1xaf s PHE 224 Cb 0.05 -0.73 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1xaf s PHE 224 CO 0.57 0.04 1.04 -0.06 -0.10 0.00 0.00 175.22 176.72 1xaf s PHE 225 N -0.97 2.99 -0.11 0.36 0.08 -1.26 -4.52 117.98 114.54 1xaf s PHE 225 Ca 0.01 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 58.59 1xaf s PHE 225 Cb -0.08 -3.07 0.06 0.00 -0.57 0.00 0.00 43.02 39.36 1xaf s PHE 225 CO 0.02 -0.88 0.21 0.45 -0.10 0.00 0.00 175.22 174.92 1xaf s SER 226 N -2.05 0.63 0.19 1.36 0.15 -1.26 -4.45 113.70 108.26 1xaf s SER 226 Ca 0.67 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.63 1xaf s SER 226 Cb -0.16 0.47 0.11 0.00 -1.71 0.00 0.00 66.02 64.72 1xaf s SER 226 CO 0.22 -0.25 1.74 0.22 1.20 0.00 0.00 173.24 176.37 1xaf h TYR 227 N 8.33 1.05 -0.08 3.44 3.20 -1.21 0.55 116.97 132.25 1xaf h TYR 227 Ca -0.14 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1xaf h TYR 227 Cb 1.12 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1xaf h TYR 227 CO 0.38 0.82 0.05 -0.09 -1.64 0.00 0.00 178.16 177.68 1xaf h ARG 228 N 0.97 0.10 0.07 1.82 9.65 -1.93 0.16 114.38 125.21 1xaf h ARG 228 Ca 0.22 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1xaf h ARG 228 Cb 0.23 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1xaf h ARG 228 CO -0.02 0.08 -0.03 -0.09 2.80 0.00 0.00 179.97 182.71 1xaf h ARG 229 N 0.10 -0.08 0.00 0.20 2.43 -1.91 -3.39 114.38 111.72 1xaf h ARG 229 Ca 0.03 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1xaf h ARG 229 Cb -0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1xaf h ARG 229 CO -0.01 -0.05 -1.68 -0.25 -1.51 0.00 0.00 179.97 176.46 1xaf n ASP 230 N -5.13 1.96 0.00 -3.80 8.00 0.17 -5.02 116.55 112.74 1xaf n ASP 230 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1xaf n ASP 230 Cb 0.06 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1xaf n ASP 230 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1xaf n LYS 231 N -2.12 0.00 -3.22 -1.24 4.81 0.54 -4.61 118.16 112.32 1xaf n LYS 231 Ca -0.08 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.92 1xaf n LYS 231 Cb 0.53 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.51 1xaf n LYS 231 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1xaf s THR 232 N 0.00 4.97 0.32 3.15 2.01 -1.26 -4.88 115.64 119.94 1xaf s THR 232 Ca 0.00 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 1xaf s THR 232 Cb 0.00 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.32 1xaf s THR 232 CO 0.00 -0.70 0.76 0.28 -0.69 0.00 0.00 174.62 174.27 1xaf s THR 233 N 2.39 0.00 0.29 -0.82 -1.32 -1.26 -4.78 115.64 110.14 1xaf s THR 233 Ca 0.13 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.59 1xaf s THR 233 Cb -0.19 -2.36 0.06 0.00 -1.51 0.00 0.00 72.50 68.50 1xaf s THR 233 CO 0.12 0.00 0.39 0.61 -2.21 0.00 0.00 174.62 173.52 1xaf n GLY 234 N -0.49 -0.83 0.06 6.08 0.00 -1.26 -4.88 105.19 103.87 1xaf n GLY 234 Ca -0.06 -1.74 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 1xaf n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xaf n ARG 235 N -1.80 0.39 -3.57 1.61 5.12 -1.26 -4.76 116.66 112.38 1xaf n ARG 235 Ca 0.05 -0.06 -0.06 0.00 -1.93 0.00 0.00 57.85 55.84 1xaf n ARG 235 Cb 0.18 0.05 -0.03 0.00 -1.16 0.00 0.00 32.46 31.50 1xaf n ARG 235 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xaf s ALA 237 N -2.02 -1.98 -0.02 7.54 0.00 -1.26 -1.74 121.76 122.27 1xaf s ALA 237 Ca 0.01 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.49 1xaf s ALA 237 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1xaf s ALA 237 CO 0.00 -0.56 -0.25 -1.12 0.00 0.00 0.00 175.76 173.83 1xaf s SER 238 N -2.03 3.09 -0.01 0.00 0.01 0.28 -0.97 113.70 114.07 1xaf s SER 238 Ca 0.06 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1xaf s SER 238 Cb -0.01 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 1xaf s SER 238 CO -0.05 0.32 -0.08 -0.36 0.41 0.00 0.00 173.24 173.48 1xaf s PHE 239 N -0.61 0.68 -0.00 2.43 0.08 0.11 -0.91 117.98 119.77 1xaf s PHE 239 Ca 0.10 -0.13 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 1xaf s PHE 239 Cb -0.10 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 1xaf s PHE 239 CO -0.01 -0.01 0.15 -1.50 -0.10 0.00 0.00 175.22 173.75 1xaf s ILE 240 N -0.17 0.08 0.07 0.64 2.07 -0.14 -1.40 121.20 122.35 1xaf s ILE 240 Ca 0.03 -0.66 -0.22 0.00 -1.41 0.00 0.00 60.65 58.39 1xaf s ILE 240 Cb -0.03 -0.45 0.06 0.00 0.13 0.00 0.00 42.46 42.17 1xaf s ILE 240 CO -0.00 -0.36 0.54 -1.66 -1.91 0.00 0.00 174.94 171.54 1xaf s TRP 241 N -1.35 -0.44 -0.03 3.50 -2.14 -0.59 -1.01 118.94 116.88 1xaf s TRP 241 Ca -0.14 0.43 -0.25 0.00 2.66 0.00 0.00 56.10 58.79 1xaf s TRP 241 Cb -0.07 0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 30.64 1xaf s TRP 241 CO 0.02 -0.69 0.76 -0.51 -2.66 0.00 0.00 176.95 173.87 1xaf s LEU 242 N -2.18 4.36 0.00 -4.66 1.43 -1.26 -1.79 118.68 114.59 1xaf s LEU 242 Ca -0.03 1.33 0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1xaf s LEU 242 Cb -0.00 -3.20 0.93 0.00 0.03 0.00 0.00 46.19 43.94 1xaf s LEU 242 CO -0.04 -0.10 1.34 -0.38 0.23 0.00 0.00 176.35 177.39