#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xaf s LEU 4 N 0.00 1.84 -0.15 3.14 2.96 -1.26 -4.02 118.68 121.19 1xaf s LEU 4 Ca 0.00 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 1xaf s LEU 4 Cb 0.00 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 1xaf s LEU 4 CO 0.00 0.10 1.02 -0.63 -1.32 0.00 0.00 176.35 175.52 1xaf s ILE 5 N 0.12 4.75 -0.31 6.68 1.01 0.48 -4.92 121.20 129.01 1xaf s ILE 5 Ca -0.03 2.03 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 1xaf s ILE 5 Cb -0.10 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 1xaf s ILE 5 CO 0.01 -0.06 0.15 -0.69 0.00 0.00 0.00 174.94 174.35 1xaf s VAL 6 N 2.45 4.65 0.16 2.92 1.01 -1.26 -0.70 120.40 129.62 1xaf s VAL 6 Ca 0.47 -0.36 -0.34 0.00 0.00 0.00 0.00 61.98 61.75 1xaf s VAL 6 Cb -0.17 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1xaf s VAL 6 CO 0.13 0.09 1.29 -2.65 0.00 0.00 0.00 175.10 173.97 1xaf n PRO 7 N 4.99 1.40 -3.11 2.72 -0.02 -1.26 -4.90 135.00 134.82 1xaf n PRO 7 Ca -0.14 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.39 1xaf n PRO 7 Cb 0.49 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.04 3.44 0.19 -0.52 -1.52 -1.26 -4.94 119.66 115.02 1xaf s GLN 8 Ca 0.76 -1.87 -0.19 0.00 -1.95 0.00 0.00 55.36 52.10 1xaf s GLN 8 Cb -0.83 -4.56 0.04 0.00 -0.22 0.00 0.00 33.01 27.44 1xaf s GLN 8 CO 0.49 -1.55 0.56 1.67 -0.25 0.00 0.00 175.29 176.22 1xaf s TRP 9 N 1.84 -0.25 -1.10 0.91 1.48 -1.26 -4.50 118.94 116.06 1xaf s TRP 9 Ca 0.22 -0.07 -0.23 0.00 -1.06 0.00 0.00 56.10 54.96 1xaf s TRP 9 Cb -0.12 0.48 -0.05 0.00 -1.16 0.00 0.00 33.47 32.62 1xaf s TRP 9 CO -0.05 -0.93 1.88 -1.25 -4.06 0.00 0.00 176.95 172.54 1xaf s PRO 10 N -3.84 2.75 -0.09 3.25 0.04 -1.26 -4.94 135.00 130.91 1xaf s PRO 10 Ca 0.07 -0.98 -0.29 0.00 0.04 0.00 0.00 61.00 59.83 1xaf s PRO 10 Cb -0.02 -5.23 -0.06 0.00 0.04 0.00 0.00 34.50 29.24 1xaf s PRO 10 CO -0.05 -3.49 1.84 -1.17 0.04 0.00 0.00 177.00 174.17 1xaf s LEU 11 N 9.58 4.11 0.78 -3.56 2.96 -1.26 -4.97 118.68 126.32 1xaf s LEU 11 Ca 0.66 2.17 -0.13 0.00 -0.22 0.00 0.00 54.13 56.61 1xaf s LEU 11 Cb -0.02 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.21 1xaf s LEU 11 CO 0.07 -1.22 1.15 -2.84 -1.32 0.00 0.00 176.35 172.19 1xaf s PRO 12 N 4.71 1.91 0.18 0.98 0.02 -1.26 -4.95 135.00 136.59 1xaf s PRO 12 Ca 0.82 1.54 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 1xaf s PRO 12 Cb -0.34 -1.83 0.15 0.00 0.02 0.00 0.00 34.50 32.50 1xaf s PRO 12 CO 0.34 -1.97 1.63 -0.22 -0.33 0.00 0.00 177.00 176.46 1xaf h LYS 13 N -0.89 -0.06 -0.75 5.54 3.64 -1.91 -2.47 116.57 119.68 1xaf h LYS 13 Ca -0.45 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.70 1xaf h LYS 13 Cb 1.27 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 1xaf h LYS 13 CO 0.48 -0.04 0.28 0.41 -2.27 0.00 0.00 179.45 178.31 1xaf n GLY 14 N -1.39 3.70 3.53 5.01 0.00 -1.26 -4.93 105.19 109.85 1xaf n GLY 14 Ca 0.04 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.01 3.16 -0.04 1.61 1.01 -0.93 0.12 120.40 122.31 1xaf s VAL 15 Ca 0.55 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1xaf s VAL 15 Cb 0.44 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1xaf s VAL 15 CO 0.13 0.18 0.18 0.00 0.00 0.00 0.00 175.10 175.60 1xaf s ALA 16 N -1.12 -0.45 0.02 5.51 0.00 -0.31 -4.77 121.76 120.65 1xaf s ALA 16 Ca 0.19 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 1xaf s ALA 16 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1xaf s ALA 16 CO 0.10 -0.14 0.15 0.00 0.00 0.00 0.00 175.76 175.88 1xaf s ALA 17 N -0.47 -0.29 0.09 0.00 0.00 -1.26 -1.37 121.76 118.45 1xaf s ALA 17 Ca -0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1xaf s ALA 17 Cb -0.04 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1xaf s ALA 17 CO 0.01 -0.29 0.69 0.00 0.00 0.00 0.00 175.76 176.16 1xaf s SER 19 N -2.45 0.40 0.51 0.00 0.15 0.12 0.02 113.70 112.44 1xaf s SER 19 Ca 0.00 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.57 1xaf s SER 19 Cb -0.01 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1xaf s SER 19 CO -0.09 -0.04 0.80 -0.94 1.20 0.00 0.00 173.24 174.17 1xaf s SER 20 N 0.57 6.02 0.51 5.45 1.04 0.17 -0.38 113.70 127.07 1xaf s SER 20 Ca -0.06 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1xaf s SER 20 Cb -0.09 -2.02 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 1xaf s SER 20 CO -0.01 -0.73 0.01 0.35 0.98 0.00 0.00 173.24 173.84 1xaf n THR 21 N -2.33 0.00 1.23 2.02 -2.24 -1.26 -4.62 114.28 107.08 1xaf n THR 21 Ca 0.02 -2.40 0.12 0.00 -2.27 0.00 0.00 64.05 59.52 1xaf n THR 21 Cb 0.56 0.50 0.65 0.00 -2.10 0.00 0.00 70.33 69.93 1xaf n THR 21 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xaf n ARG 22 N -1.25 0.40 -3.34 -0.78 1.85 0.99 -4.61 116.66 109.92 1xaf n ARG 22 Ca -0.20 0.04 -0.38 0.00 -1.00 0.00 0.00 57.85 56.31 1xaf n ARG 22 Cb 0.64 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.49 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 -2.52 4.88 0.00 8.89 1.01 -1.26 0.06 121.20 132.26 1xaf s ILE 23 Ca 0.25 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1xaf s ILE 23 Cb 0.17 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1xaf s ILE 23 CO 0.37 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.45 1xaf n GLY 24 N 1.94 1.17 0.00 6.18 0.00 -1.26 -3.75 105.19 109.47 1xaf n GLY 24 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.75 3.46 0.00 -0.02 0.00 -1.26 -4.85 105.19 100.78 1xaf n GLY 25 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1xaf n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xaf n VAL 26 N 0.00 0.00 -2.26 1.61 0.31 -0.86 -4.77 118.33 112.35 1xaf n VAL 26 Ca 0.00 -0.06 -0.35 0.00 -0.01 0.00 0.00 64.34 63.92 1xaf n VAL 26 Cb 0.00 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1xaf n VAL 26 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1xaf s SER 27 N -0.53 5.74 0.29 4.52 0.01 -0.39 -5.01 113.70 118.33 1xaf s SER 27 Ca 0.00 2.15 -0.01 0.00 1.31 0.00 0.00 55.95 59.40 1xaf s SER 27 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1xaf s SER 27 CO 0.00 -1.20 0.51 -0.76 0.41 0.00 0.00 173.24 172.20 1xaf s LEU 28 N -3.82 4.08 0.46 2.44 1.43 -1.26 -3.95 118.68 118.06 1xaf s LEU 28 Ca 0.72 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 1xaf s LEU 28 Cb -0.23 -3.33 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1xaf s LEU 28 CO 0.27 -0.20 0.77 -2.65 0.23 0.00 0.00 176.35 174.77 1xaf n PRO 29 N -1.28 0.91 -0.13 1.29 -0.02 -1.26 -0.47 135.00 134.04 1xaf n PRO 29 Ca -0.04 0.33 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1xaf n PRO 29 Cb 0.55 -1.81 0.07 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.17 1.57 -0.50 0.52 -0.04 -1.26 -4.84 135.00 130.61 1xaf n PRO 30 Ca 0.11 -0.57 0.10 0.00 -0.04 0.00 0.00 63.50 63.10 1xaf n PRO 30 Cb 0.41 -1.41 0.33 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.03 1.24 -2.22 0.54 4.02 0.38 -3.81 117.16 117.34 1xaf n TYR 31 Ca 0.05 -0.58 -0.42 0.00 -0.01 0.00 0.00 57.90 56.94 1xaf n TYR 31 Cb 0.29 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.99 6.83 0.00 7.72 -4.77 -1.15 -3.69 116.67 120.63 1xaf s ASP 32 Ca 0.48 2.03 0.00 0.00 -3.30 0.00 0.00 52.55 51.77 1xaf s ASP 32 Cb 0.29 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.57 1xaf s ASP 32 CO 0.26 -0.78 0.00 -1.54 0.70 0.00 0.00 175.17 173.81 1xaf n SER 33 N 6.15 3.04 -3.58 2.11 3.41 0.11 -4.87 113.62 120.00 1xaf n SER 33 Ca 0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 1xaf n SER 33 Cb 0.44 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.21 7.69 -4.67 1.04 7.94 0.60 -1.26 117.00 127.12 1xaf n LEU 34 Ca 0.00 -5.05 -0.43 0.00 -1.11 0.00 0.00 56.01 49.43 1xaf n LEU 34 Cb 0.18 -1.30 -0.02 0.00 0.53 0.00 0.00 43.42 42.80 1xaf n LEU 34 CO 0.00 2.00 1.04 0.21 -1.11 0.00 0.00 177.39 179.53 1xaf s ASN 35 N -0.23 6.97 0.00 1.96 3.04 -1.24 -4.72 114.94 120.72 1xaf s ASN 35 Ca 0.47 1.79 0.22 0.00 0.04 0.00 0.00 52.86 55.39 1xaf s ASN 35 Cb 0.18 -2.55 -0.03 0.00 -1.54 0.00 0.00 41.25 37.30 1xaf s ASN 35 CO -0.09 -0.69 1.04 0.18 -3.04 0.00 0.00 177.10 174.50 1xaf n LEU 36 N 5.91 0.96 -4.69 3.21 4.77 -0.68 -4.53 117.00 121.95 1xaf n LEU 36 Ca 0.13 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 1xaf n LEU 36 Cb 0.45 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1xaf n LEU 36 CO 0.56 0.23 0.59 -0.83 -1.33 0.00 0.00 177.39 176.60 1xaf s GLY 37 N -2.96 2.37 0.04 -0.72 0.00 -1.26 -4.95 107.32 99.85 1xaf s GLY 37 Ca 0.10 0.17 0.25 0.00 0.00 0.00 0.00 44.72 45.24 1xaf s GLY 37 CO 0.81 1.58 1.47 0.00 0.00 0.00 0.00 173.10 176.95 1xaf n ALA 38 N 4.66 3.16 -2.25 3.20 0.00 -1.26 -4.32 120.51 123.69 1xaf n ALA 38 Ca 0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1xaf n ALA 38 Cb 0.50 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.70 2.73 -0.32 0.00 8.25 -1.26 -4.67 115.22 118.25 1xaf n HIS 39 Ca 0.05 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 55.03 1xaf n HIS 39 Cb 0.37 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.25 0.96 3.84 0.00 0.00 -1.26 -4.69 105.19 103.78 1xaf n GLY 41 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.04 5.66 -0.22 1.61 -1.08 -1.26 -4.98 116.67 114.35 1xaf s ASP 42 Ca 0.00 1.54 -0.35 0.00 -0.52 0.00 0.00 52.55 53.23 1xaf s ASP 42 Cb 0.00 -2.48 -0.11 0.00 -1.46 0.00 0.00 42.92 38.87 1xaf s ASP 42 CO 0.00 -1.25 2.02 -3.20 0.52 0.00 0.00 175.17 173.26 1xaf n ASN 43 N -3.00 2.83 0.23 -0.34 2.85 -1.26 -4.89 115.26 111.67 1xaf n ASN 43 Ca 0.07 0.69 0.08 0.00 -0.11 0.00 0.00 54.58 55.31 1xaf n ASN 43 Cb 0.54 -1.33 0.62 0.00 1.24 0.00 0.00 39.78 40.85 1xaf n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1xaf h PRO 44 N 10.82 0.05 -0.00 1.20 0.11 -1.95 -0.81 132.00 141.41 1xaf h PRO 44 Ca -0.40 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.54 1xaf h PRO 44 Cb 1.29 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1xaf h PRO 44 CO 0.98 0.03 -0.79 -0.44 -0.21 0.00 0.00 178.00 177.58 1xaf h ASP 45 N 0.05 0.09 -0.18 -2.05 3.32 -1.99 -2.50 116.42 113.16 1xaf h ASP 45 Ca 0.02 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1xaf h ASP 45 Cb 0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1xaf h ASP 45 CO -0.00 0.84 0.00 0.45 -1.72 0.00 0.00 179.24 178.81 1xaf h HIS 46 N 0.04 0.34 -0.64 4.55 3.86 -1.58 -1.97 115.15 119.75 1xaf h HIS 46 Ca -0.02 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1xaf h HIS 46 Cb 1.38 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 29.71 1xaf h HIS 46 CO 0.01 0.52 0.36 0.28 0.86 0.00 0.00 177.93 179.95 1xaf h VAL 47 N 0.06 0.98 -0.59 2.45 2.07 -1.29 0.10 116.25 120.04 1xaf h VAL 47 Ca 0.05 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xaf h VAL 47 Cb 0.38 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1xaf h VAL 47 CO 0.01 0.12 0.34 -0.08 0.02 0.00 0.00 177.57 177.98 1xaf h GLU 48 N 0.67 0.81 -0.61 1.57 4.81 -1.43 -1.01 114.58 119.39 1xaf h GLU 48 Ca 0.28 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1xaf h GLU 48 Cb 0.15 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1xaf h GLU 48 CO -0.17 0.60 0.27 1.49 -0.73 0.00 0.00 179.01 180.47 1xaf h GLU 49 N 0.79 0.89 -0.59 1.92 4.57 -0.50 -2.10 114.58 119.56 1xaf h GLU 49 Ca 0.21 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1xaf h GLU 49 Cb 0.01 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1xaf h GLU 49 CO -0.04 0.74 0.31 -0.91 -1.18 0.00 0.00 179.01 177.93 1xaf h ASN 50 N 0.83 0.75 -0.08 1.04 2.35 -0.76 -1.67 115.58 118.05 1xaf h ASN 50 Ca 0.21 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1xaf h ASN 50 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xaf h ASN 50 CO -0.02 0.65 -0.02 0.03 -1.65 0.00 0.00 177.43 176.41 1xaf h ARG 51 N 0.80 -0.00 -0.64 0.81 3.08 -1.08 -0.26 114.38 117.09 1xaf h ARG 51 Ca 0.21 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1xaf h ARG 51 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1xaf h ARG 51 CO -0.03 -0.00 0.31 -0.22 -1.07 0.00 0.00 179.97 178.96 1xaf h LYS 52 N -0.00 0.55 -0.49 0.04 3.64 -1.17 0.26 116.57 119.39 1xaf h LYS 52 Ca 0.04 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1xaf h LYS 52 Cb 0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1xaf h LYS 52 CO -0.09 0.36 0.05 0.00 -2.27 0.00 0.00 179.45 177.51 1xaf h ARG 53 N 0.56 0.83 -0.39 1.90 3.08 -1.02 -2.02 114.38 117.32 1xaf h ARG 53 Ca 0.31 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1xaf h ARG 53 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1xaf h ARG 53 CO -0.24 0.85 -0.19 1.25 -1.07 0.00 0.00 179.97 180.57 1xaf h LEU 54 N 0.70 0.84 -1.07 3.04 5.85 -0.59 0.13 115.31 124.20 1xaf h LEU 54 Ca 0.15 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1xaf h LEU 54 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1xaf h LEU 54 CO 0.02 1.06 0.21 -0.26 -0.34 0.00 0.00 178.44 179.12 1xaf h PHE 55 N 0.61 0.89 -0.07 1.25 0.05 -0.92 0.15 116.94 118.90 1xaf h PHE 55 Ca 0.09 -0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.81 1xaf h PHE 55 Cb 0.74 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 38.42 1xaf h PHE 55 CO 0.06 0.70 0.03 0.00 -0.18 0.00 0.00 178.31 178.92 1xaf h ALA 56 N 1.37 0.09 -0.51 2.45 0.00 -1.21 -1.54 119.26 119.92 1xaf h ALA 56 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xaf h ALA 56 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xaf h ALA 56 CO -0.01 -0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.03 1xaf h ALA 57 N 0.88 1.26 -0.01 0.00 0.00 -0.32 -2.42 119.26 118.65 1xaf h ALA 57 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xaf h ALA 57 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xaf h ALA 57 CO -0.00 0.52 -0.12 0.41 0.00 0.00 0.00 179.25 180.06 1xaf n GLY 58 N -0.89 -0.61 3.82 0.00 0.00 0.49 -4.95 105.19 103.06 1xaf n GLY 58 Ca 0.04 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1xaf n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xaf n ASN 59 N -0.58 -4.94 -4.77 1.61 3.02 -0.91 -4.95 115.26 103.74 1xaf n ASN 59 Ca 0.16 -0.72 -0.40 0.00 -0.03 0.00 0.00 54.58 53.59 1xaf n ASN 59 Cb 0.30 -3.95 -0.01 0.00 -0.61 0.00 0.00 39.78 35.52 1xaf n ASN 59 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xaf s LEU 60 N -7.22 4.32 0.39 3.41 1.43 -0.61 -4.92 118.68 115.48 1xaf s LEU 60 Ca 0.63 2.81 0.24 0.00 -1.03 0.00 0.00 54.13 56.79 1xaf s LEU 60 Cb -0.32 -3.74 0.49 0.00 0.03 0.00 0.00 46.19 42.66 1xaf s LEU 60 CO 0.78 -0.77 1.66 1.55 0.23 0.00 0.00 176.35 179.81 1xaf h PRO 61 N 3.01 0.00 -3.25 1.29 0.13 -1.91 -3.48 132.00 127.80 1xaf h PRO 61 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1xaf h PRO 61 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1xaf h PRO 61 CO 0.64 0.00 0.15 -1.54 -0.23 0.00 0.00 178.00 177.01 1xaf s SER 62 N -5.80 0.06 0.38 1.44 1.04 -1.26 -5.07 113.70 104.48 1xaf s SER 62 Ca 0.08 -1.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 1xaf s SER 62 Cb 0.07 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.86 1xaf s SER 62 CO 0.65 -1.48 1.14 -0.54 0.98 0.00 0.00 173.24 173.99 1xaf s LYS 63 N -3.05 4.17 0.41 4.02 1.02 -1.26 -4.82 119.74 120.23 1xaf s LYS 63 Ca 0.17 1.78 -0.26 0.00 0.02 0.00 0.00 55.97 57.68 1xaf s LYS 63 Cb -0.04 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1xaf s LYS 63 CO 0.11 -0.20 1.29 -1.25 -0.92 0.00 0.00 175.35 174.38 1xaf s PRO 64 N -2.20 3.96 -1.15 -1.68 0.04 -1.26 -4.48 135.00 128.23 1xaf s PRO 64 Ca 0.55 2.13 -0.21 0.00 0.04 0.00 0.00 61.00 63.51 1xaf s PRO 64 Cb -0.29 -2.74 0.05 0.00 0.04 0.00 0.00 34.50 31.56 1xaf s PRO 64 CO 0.37 -0.49 1.62 0.08 0.04 0.00 0.00 177.00 178.62 1xaf s VAL 65 N -1.28 3.98 0.30 -0.36 1.01 -0.98 -4.98 120.40 118.10 1xaf s VAL 65 Ca 0.57 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1xaf s VAL 65 Cb -0.37 -5.06 -0.11 0.00 0.00 0.00 0.00 36.38 30.84 1xaf s VAL 65 CO 0.48 -1.90 1.52 0.26 0.00 0.00 0.00 175.10 175.45 1xaf s TRP 66 N 5.09 2.80 0.29 5.22 0.52 -1.26 -4.42 118.94 127.18 1xaf s TRP 66 Ca 0.51 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.60 1xaf s TRP 66 Cb 0.01 -3.98 -0.04 0.00 -1.15 0.00 0.00 33.47 28.32 1xaf s TRP 66 CO -0.01 -3.14 0.49 -0.51 0.02 0.00 0.00 176.95 173.81 1xaf s LEU 67 N -0.90 4.10 -0.83 2.99 1.43 -1.26 -4.99 118.68 119.21 1xaf s LEU 67 Ca 0.59 0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.89 1xaf s LEU 67 Cb -0.46 -3.26 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1xaf s LEU 67 CO 0.50 -0.20 1.20 -1.61 0.23 0.00 0.00 176.35 176.48 1xaf s GLU 68 N -3.96 3.36 -0.04 1.70 2.02 0.26 -4.96 118.70 117.08 1xaf s GLU 68 Ca 0.39 -0.97 -0.28 0.00 0.02 0.00 0.00 54.97 54.13 1xaf s GLU 68 Cb -0.10 -4.67 -0.03 0.00 0.10 0.00 0.00 34.13 29.43 1xaf s GLU 68 CO 0.33 -1.99 0.90 -0.65 0.02 0.00 0.00 175.26 173.87 1xaf s GLN 69 N 4.40 4.49 -0.05 1.61 -0.21 -1.24 -1.45 119.66 127.21 1xaf s GLN 69 Ca 0.34 1.25 0.08 0.00 0.02 0.00 0.00 55.36 57.05 1xaf s GLN 69 Cb -0.08 -3.48 0.12 0.00 1.00 0.00 0.00 33.01 30.57 1xaf s GLN 69 CO 0.02 -0.08 1.01 1.33 -2.12 0.00 0.00 175.29 175.44 1xaf n VAL 70 N 4.02 1.13 -2.29 1.09 0.24 -1.26 -4.97 118.33 116.28 1xaf n VAL 70 Ca 0.04 -1.28 -0.21 0.00 -2.04 0.00 0.00 64.34 60.85 1xaf n VAL 70 Cb 0.51 0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.77 -0.87 -0.90 6.34 8.25 -1.26 -5.00 115.22 121.01 1xaf n HIS 71 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1xaf n HIS 71 Cb 0.49 -3.91 0.00 0.00 1.12 0.00 0.00 29.99 27.69 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 -0.93 1.89 0.30 -1.41 0.00 -1.26 -3.78 105.19 100.00 1xaf n GLY 72 Ca -0.24 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 43.92 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 0.40 -3.18 1.61 2.85 -1.26 -4.30 118.16 114.28 1xaf n LYS 73 Ca 0.00 -1.22 -0.34 0.00 -1.05 0.00 0.00 58.31 55.69 1xaf n LYS 73 Cb 0.00 -0.71 -0.06 0.00 -0.65 0.00 0.00 35.03 33.61 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 -1.16 6.90 -0.17 -5.58 1.01 -1.26 -4.57 116.67 111.84 1xaf s ASP 74 Ca 0.06 1.28 -0.00 0.00 0.71 0.00 0.00 52.55 54.60 1xaf s ASP 74 Cb 0.05 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1xaf s ASP 74 CO 0.01 -0.04 -0.14 -0.69 0.21 0.00 0.00 175.17 174.51 1xaf s VAL 75 N -1.68 2.70 -0.21 -1.27 1.01 -1.26 -1.51 120.40 118.18 1xaf s VAL 75 Ca 0.46 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 1xaf s VAL 75 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1xaf s VAL 75 CO 0.20 0.50 0.69 -0.22 0.00 0.00 0.00 175.10 176.27 1xaf s LEU 76 N 0.98 4.13 -0.22 3.92 2.96 0.12 -4.96 118.68 125.61 1xaf s LEU 76 Ca -0.02 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 54.52 1xaf s LEU 76 Cb -0.15 -2.98 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 1xaf s LEU 76 CO -0.02 -0.34 0.91 -0.54 -1.32 0.00 0.00 176.35 175.04 1xaf s LYS 77 N 2.14 4.23 -1.42 1.98 1.02 -1.26 -1.45 119.74 124.99 1xaf s LYS 77 Ca 0.31 1.12 -0.09 0.00 0.02 0.00 0.00 55.97 57.32 1xaf s LYS 77 Cb -0.16 -3.63 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 1xaf s LYS 77 CO 0.10 -0.53 2.98 1.28 -0.92 0.00 0.00 175.35 178.26 1xaf n LEU 78 N 5.99 8.32 0.16 3.17 4.77 0.44 -4.61 117.00 135.24 1xaf n LEU 78 Ca 0.08 -4.29 0.03 0.00 -0.03 0.00 0.00 56.01 51.79 1xaf n LEU 78 Cb 0.47 -1.52 0.25 0.00 -2.33 0.00 0.00 43.42 40.29 1xaf n LEU 78 CO 0.49 2.03 0.59 0.71 -1.33 0.00 0.00 177.39 179.89 1xaf h THR 79 N 2.84 1.11 -1.14 -5.08 1.35 -1.92 -3.46 112.91 106.61 1xaf h THR 79 Ca 0.79 -1.81 0.19 0.00 -0.55 0.00 0.00 66.41 65.02 1xaf h THR 79 Cb 0.42 2.05 -0.32 0.00 -1.73 0.00 0.00 68.15 68.56 1xaf h THR 79 CO 1.59 0.47 0.73 -0.83 -0.25 0.00 0.00 175.52 177.23 1xaf s GLY 80 N -4.41 0.48 0.26 5.82 0.00 -1.26 -5.10 107.32 103.10 1xaf s GLY 80 Ca -0.00 3.66 -0.10 0.00 0.00 0.00 0.00 44.72 48.28 1xaf s GLY 80 CO 0.72 2.53 1.58 0.83 0.00 0.00 0.00 173.10 178.76 1xaf h GLU 81 N 4.74 0.00 -6.31 2.90 3.07 -2.00 -3.36 114.58 113.62 1xaf h GLU 81 Ca -0.27 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.02 1xaf h GLU 81 Cb 1.17 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.02 1xaf h GLU 81 CO 0.21 0.00 0.86 -2.14 -1.40 0.00 0.00 179.01 176.54 1xaf s PRO 82 N -6.25 4.05 0.02 2.33 0.02 -1.26 -5.04 135.00 128.88 1xaf s PRO 82 Ca -0.15 1.09 -0.01 0.00 0.02 0.00 0.00 61.00 61.96 1xaf s PRO 82 Cb 0.24 -3.75 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 1xaf s PRO 82 CO 0.76 -0.92 0.15 0.71 -0.33 0.00 0.00 177.00 177.37 1xaf s TYR 83 N 3.71 3.42 -0.49 6.54 1.51 -1.26 -5.01 117.35 125.77 1xaf s TYR 83 Ca 0.46 0.25 0.26 0.00 -1.01 0.00 0.00 57.07 57.03 1xaf s TYR 83 Cb -0.13 -1.75 0.71 0.00 -0.11 0.00 0.00 41.96 40.68 1xaf s TYR 83 CO 0.16 0.59 1.73 0.00 -1.11 0.00 0.00 175.55 176.92 1xaf h ALA 84 N 3.61 1.00 0.00 3.71 0.00 -1.96 -3.45 119.26 122.17 1xaf h ALA 84 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xaf h ALA 84 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xaf h ALA 84 CO 0.69 0.00 0.00 0.45 0.00 0.00 0.00 179.25 180.39 1xaf n SER 85 N -2.69 0.00 -1.67 0.00 2.88 -1.26 -5.03 113.62 105.85 1xaf n SER 85 Ca 0.04 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.65 1xaf n SER 85 Cb 0.43 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.25 1xaf n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xaf n LYS 86 N 0.00 4.16 -2.01 -1.46 5.02 -1.26 -4.89 118.16 117.72 1xaf n LYS 86 Ca 0.00 -2.78 -0.32 0.00 -2.02 0.00 0.00 58.31 53.19 1xaf n LYS 86 Cb 0.00 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 1xaf n LYS 86 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xaf s ARG 87 N -2.31 2.54 -0.00 1.97 3.52 -1.26 -0.58 118.95 122.84 1xaf s ARG 87 Ca 0.49 0.25 -0.28 0.00 -0.13 0.00 0.00 55.73 56.05 1xaf s ARG 87 Cb 0.35 -4.70 0.10 0.00 -1.56 0.00 0.00 34.95 29.14 1xaf s ARG 87 CO 0.18 -3.09 0.85 0.00 -0.81 0.00 0.00 175.30 172.43 1xaf s ALA 88 N 9.82 -1.80 -0.17 6.12 0.00 -0.53 -4.89 121.76 130.32 1xaf s ALA 88 Ca 0.70 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1xaf s ALA 88 Cb -0.10 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1xaf s ALA 88 CO 0.11 -0.64 0.77 -0.25 0.00 0.00 0.00 175.76 175.75 1xaf n ASP 89 N -0.10 1.58 -3.97 0.00 8.00 -0.57 -3.69 116.55 117.80 1xaf n ASP 89 Ca -0.10 -1.48 -0.09 0.00 0.71 0.00 0.00 54.79 53.83 1xaf n ASP 89 Cb 0.62 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.52 0.10 0.05 2.24 0.00 -0.81 0.88 121.76 123.69 1xaf s ALA 90 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1xaf s ALA 90 Cb 0.02 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1xaf s ALA 90 CO 0.02 -0.35 -0.06 -1.54 0.00 0.00 0.00 175.76 173.83 1xaf s SER 91 N -2.41 0.75 -0.03 0.00 1.04 0.34 -0.70 113.70 112.70 1xaf s SER 91 Ca -0.01 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1xaf s SER 91 Cb 0.02 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1xaf s SER 91 CO -0.07 -0.29 -0.10 -0.47 0.98 0.00 0.00 173.24 173.30 1xaf s TYR 92 N -1.89 0.99 -0.01 5.02 5.04 -0.53 -1.14 117.35 124.83 1xaf s TYR 92 Ca -0.07 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.31 1xaf s TYR 92 Cb -0.07 -0.70 0.01 0.00 0.35 0.00 0.00 41.96 41.55 1xaf s TYR 92 CO -0.01 -0.10 0.02 0.45 -1.34 0.00 0.00 175.55 174.58 1xaf s SER 93 N 0.14 -0.01 -0.05 4.32 0.15 -0.06 -0.42 113.70 117.78 1xaf s SER 93 Ca -0.02 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.74 1xaf s SER 93 Cb -0.08 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.36 1xaf s SER 93 CO 0.00 -0.03 1.05 -0.46 1.20 0.00 0.00 173.24 175.00 1xaf n ASN 94 N 3.31 2.09 -4.59 5.45 0.23 -1.26 -0.52 115.26 119.98 1xaf n ASN 94 Ca -0.15 -2.39 -0.36 0.00 -0.53 0.00 0.00 54.58 51.15 1xaf n ASN 94 Cb 0.58 -0.16 -0.11 0.00 -2.08 0.00 0.00 39.78 38.01 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 -1.67 4.89 0.23 5.53 2.01 -1.26 -4.88 115.64 120.49 1xaf s THR 95 Ca 0.12 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.82 1xaf s THR 95 Cb 0.10 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 1xaf s THR 95 CO 0.01 0.37 1.66 -2.84 -0.69 0.00 0.00 174.62 173.13 1xaf s PRO 96 N 1.08 4.14 0.00 4.92 0.02 -1.26 -2.93 135.00 140.97 1xaf s PRO 96 Ca 0.06 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1xaf s PRO 96 Cb -0.14 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1xaf s PRO 96 CO 0.04 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1xaf n GLY 97 N 3.35 1.39 3.68 0.52 0.00 0.43 -5.01 105.19 109.56 1xaf n GLY 97 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.31 4.83 -0.36 2.61 2.01 -1.15 -4.16 115.64 117.11 1xaf s THR 98 Ca 0.00 1.84 -0.16 0.00 0.31 0.00 0.00 61.69 63.68 1xaf s THR 98 Cb 0.00 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.28 1xaf s THR 98 CO 0.00 0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.62 1xaf s VAL 99 N 2.15 5.16 0.12 3.82 1.01 -1.26 -4.30 120.40 127.10 1xaf s VAL 99 Ca 0.43 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1xaf s VAL 99 Cb -0.17 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1xaf s VAL 99 CO 0.14 -0.17 1.14 0.00 0.00 0.00 0.00 175.10 176.21 1xaf s ALA 101 N 0.36 -0.44 0.00 0.00 0.00 -1.26 -1.72 121.76 118.70 1xaf s ALA 101 Ca 0.54 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1xaf s ALA 101 Cb -0.29 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1xaf s ALA 101 CO 0.32 -0.11 0.00 1.33 0.00 0.00 0.00 175.76 177.31 1xaf n VAL 102 N 2.72 0.00 0.00 0.00 0.24 -0.77 -4.55 118.33 115.97 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 -2.86 3.34 -2.24 -1.26 -1.19 114.28 110.07 1xaf n THR 104 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1xaf n THR 104 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.13 -0.36 0.00 6.98 0.00 -1.26 -4.59 120.51 120.15 1xaf n ALA 105 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.52 1xaf n ALA 105 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.28 0.00 -4.75 0.00 8.00 -1.26 -1.08 116.55 118.74 1xaf n ASP 106 Ca 0.12 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 1xaf n ASP 106 Cb 0.63 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.77 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 -4.15 4.04 0.08 0.00 2.96 -1.11 -4.61 118.68 115.89 1xaf s LEU 108 Ca 0.79 1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 55.91 1xaf s LEU 108 Cb -0.33 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.76 1xaf s LEU 108 CO 0.36 -0.89 0.75 -2.16 -1.32 0.00 0.00 176.35 173.09 1xaf s PRO 109 N 3.77 4.50 -0.08 0.98 0.05 -1.26 -0.80 135.00 142.15 1xaf s PRO 109 Ca 0.54 1.07 0.03 0.00 0.05 0.00 0.00 61.00 62.69 1xaf s PRO 109 Cb -0.19 -3.33 0.01 0.00 0.05 0.00 0.00 34.50 31.04 1xaf s PRO 109 CO 0.18 0.39 -0.16 0.08 0.05 0.00 0.00 177.00 177.53 1xaf s VAL 110 N -0.42 1.46 -0.09 -0.36 1.01 -0.54 -0.01 120.40 121.45 1xaf s VAL 110 Ca 0.37 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1xaf s VAL 110 Cb -0.21 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1xaf s VAL 110 CO 0.24 0.43 -0.05 -0.76 0.00 0.00 0.00 175.10 174.95 1xaf s LEU 111 N 0.58 3.24 0.07 3.92 1.43 -0.30 -0.44 118.68 127.17 1xaf s LEU 111 Ca -0.16 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1xaf s LEU 111 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1xaf s LEU 111 CO 0.05 0.32 -0.20 -0.36 0.23 0.00 0.00 176.35 176.39 1xaf s PHE 112 N -0.56 1.76 0.16 0.29 0.08 0.81 -0.32 117.98 120.20 1xaf s PHE 112 Ca 0.08 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.58 1xaf s PHE 112 Cb -0.12 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1xaf s PHE 112 CO 0.02 0.13 0.47 0.00 -0.10 0.00 0.00 175.22 175.74 1xaf s ASN 114 N -2.84 6.15 0.35 0.00 4.22 -1.03 -0.88 114.94 120.92 1xaf s ASN 114 Ca 0.06 0.11 0.04 0.00 -2.14 0.00 0.00 52.86 50.94 1xaf s ASN 114 Cb 0.00 -1.81 0.69 0.00 1.28 0.00 0.00 41.25 41.42 1xaf s ASN 114 CO -0.07 0.07 1.97 0.03 -2.04 0.00 0.00 177.10 177.06 1xaf h ARG 115 N 2.30 0.78 0.00 3.55 3.08 -1.73 0.04 114.38 122.41 1xaf h ARG 115 Ca -0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1xaf h ARG 115 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1xaf h ARG 115 CO 0.68 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 180.10 1xaf h ALA 116 N 1.60 1.00 -3.37 0.04 0.00 -1.95 -3.43 119.26 113.15 1xaf h ALA 116 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 1xaf h ALA 116 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.99 1xaf h ALA 116 CO -0.09 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.24 1xaf n GLY 117 N -0.70 0.22 0.00 0.00 0.00 -0.00 -4.87 105.19 99.83 1xaf n GLY 117 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.64 0.00 -3.75 2.61 -2.24 -1.26 -4.65 114.28 101.35 1xaf n THR 118 Ca -0.00 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1xaf n THR 118 Cb 0.53 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1xaf n THR 118 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1xaf s GLU 119 N -0.50 0.49 0.19 -0.78 -1.05 -1.26 -4.52 118.70 111.27 1xaf s GLU 119 Ca 0.00 0.32 0.04 0.00 -0.15 0.00 0.00 54.97 55.18 1xaf s GLU 119 Cb 0.00 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1xaf s GLU 119 CO 0.00 -0.09 -0.05 0.14 0.95 0.00 0.00 175.26 176.22 1xaf s VAL 120 N -0.21 1.05 -0.09 1.83 -7.23 0.33 -2.46 120.40 113.62 1xaf s VAL 120 Ca -0.04 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 1xaf s VAL 120 Cb -0.03 -2.11 0.04 0.00 0.56 0.00 0.00 36.38 34.85 1xaf s VAL 120 CO 0.02 -0.52 0.48 0.00 -0.31 0.00 0.00 175.10 174.76 1xaf s ALA 121 N -3.41 -1.20 -0.03 1.32 0.00 -0.10 -0.89 121.76 117.46 1xaf s ALA 121 Ca 0.23 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1xaf s ALA 121 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1xaf s ALA 121 CO 0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 175.76 175.37 1xaf s ALA 122 N -0.65 1.40 -0.05 0.00 0.00 -0.29 -0.13 121.76 122.03 1xaf s ALA 122 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1xaf s ALA 122 Cb -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1xaf s ALA 122 CO 0.04 0.30 -0.11 0.08 0.00 0.00 0.00 175.76 176.07 1xaf s VAL 123 N -0.16 1.00 -0.52 0.00 1.01 0.41 -0.50 120.40 121.65 1xaf s VAL 123 Ca 0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1xaf s VAL 123 Cb -0.09 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.47 1xaf s VAL 123 CO 0.01 0.31 0.52 -2.28 0.00 0.00 0.00 175.10 173.66 1xaf s HIS 124 N 0.46 3.16 -0.88 5.22 5.65 0.25 -1.46 115.29 127.69 1xaf s HIS 124 Ca -0.09 -0.93 -0.01 0.00 0.25 0.00 0.00 55.06 54.27 1xaf s HIS 124 Cb -0.13 -3.54 0.22 0.00 -1.18 0.00 0.00 32.58 27.95 1xaf s HIS 124 CO 0.02 -0.98 0.76 0.00 -0.65 0.00 0.00 174.74 173.89 1xaf s ALA 125 N 2.02 4.22 0.97 1.58 0.00 0.02 -4.78 121.76 125.79 1xaf s ALA 125 Ca 0.07 -3.84 -0.12 0.00 0.00 0.00 0.00 51.96 48.08 1xaf s ALA 125 Cb -0.25 -2.77 0.17 0.00 0.00 0.00 0.00 23.12 20.27 1xaf s ALA 125 CO 0.07 -2.14 1.08 0.20 0.00 0.00 0.00 175.76 174.97 1xaf s GLY 126 N -0.25 1.60 0.29 0.00 0.00 -1.26 -2.74 107.32 104.96 1xaf s GLY 126 Ca 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.89 1xaf s GLY 126 CO -0.13 0.45 1.88 0.11 0.00 0.00 0.00 173.10 175.41 1xaf h TRP 127 N -1.85 1.11 -0.23 1.90 5.08 -1.96 0.72 115.95 120.70 1xaf h TRP 127 Ca -0.52 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.44 1xaf h TRP 127 Cb 1.30 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 27.10 1xaf h TRP 127 CO 0.37 0.52 0.02 -0.09 -1.28 0.00 0.00 178.44 177.98 1xaf h ARG 128 N 1.04 0.39 -0.40 0.12 2.43 -1.92 0.13 114.38 116.18 1xaf h ARG 128 Ca 0.44 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1xaf h ARG 128 Cb 0.32 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xaf h ARG 128 CO -0.19 0.55 0.04 0.78 -1.51 0.00 0.00 179.97 179.63 1xaf h GLY 129 N 0.18 0.73 0.75 2.80 0.00 -1.56 -1.26 103.07 104.71 1xaf h GLY 129 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1xaf h GLY 129 CO 0.01 0.47 -0.09 -2.00 0.00 0.00 0.00 176.54 174.93 1xaf h LEU 130 N 0.51 -0.25 -0.70 3.11 5.85 -0.79 -0.40 115.31 122.65 1xaf h LEU 130 Ca 0.12 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1xaf h LEU 130 Cb 0.42 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1xaf h LEU 130 CO 0.01 -0.12 0.45 0.00 -0.34 0.00 0.00 178.44 178.44 1xaf n ALA 132 N -2.30 2.27 0.00 0.00 0.00 -0.48 -4.91 120.51 115.08 1xaf n ALA 132 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xaf n ALA 132 Cb 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.36 1.99 0.36 0.00 0.00 -0.28 -5.01 105.19 103.60 1xaf n GLY 133 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.97 -0.05 1.61 3.04 -1.42 -1.31 116.25 119.09 1xaf h VAL 134 Ca 0.00 -0.24 -0.14 0.00 -1.01 0.00 0.00 66.70 65.31 1xaf h VAL 134 Cb 0.00 0.22 0.01 0.00 -2.01 0.00 0.00 31.29 29.51 1xaf h VAL 134 CO 0.00 0.13 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.09 1xaf h LEU 135 N 0.69 0.54 -1.37 3.16 3.38 -1.86 -0.17 115.31 119.68 1xaf h LEU 135 Ca 0.33 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xaf h LEU 135 Cb 0.39 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1xaf h LEU 135 CO -0.12 1.16 0.39 -0.33 0.09 0.00 0.00 178.44 179.64 1xaf h GLU 136 N -0.03 0.82 -0.17 1.13 3.07 -1.85 0.05 114.58 117.59 1xaf h GLU 136 Ca -0.05 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.57 1xaf h GLU 136 Cb 1.20 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1xaf h GLU 136 CO 0.11 0.55 -0.61 0.93 -1.40 0.00 0.00 179.01 178.59 1xaf h GLU 137 N 0.84 0.60 -0.03 2.33 4.39 -1.12 -1.71 114.58 119.87 1xaf h GLU 137 Ca 0.22 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1xaf h GLU 137 Cb -0.07 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1xaf h GLU 137 CO -0.05 1.03 0.01 1.15 -1.16 0.00 0.00 179.01 179.99 1xaf h THR 138 N 0.44 1.21 -0.52 1.13 2.02 -0.64 -3.12 112.91 113.43 1xaf h THR 138 Ca -0.01 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1xaf h THR 138 Cb 1.18 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 1xaf h THR 138 CO 0.12 0.17 0.24 0.58 0.37 0.00 0.00 175.52 177.00 1xaf h VAL 139 N -0.19 0.92 -0.03 3.16 2.07 -0.98 -0.99 116.25 120.21 1xaf h VAL 139 Ca 0.01 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1xaf h VAL 139 Cb 0.26 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1xaf h VAL 139 CO 0.00 0.09 0.16 0.77 0.02 0.00 0.00 177.57 178.61 1xaf h SER 140 N 0.47 0.00 1.36 0.57 4.64 -1.36 -0.30 113.55 118.92 1xaf h SER 140 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1xaf h SER 140 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1xaf h SER 140 CO -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 1xaf s PHE 142 N -3.50 3.62 0.19 0.00 0.08 -0.13 -4.94 117.98 113.30 1xaf s PHE 142 Ca 0.03 1.62 -0.09 0.00 0.12 0.00 0.00 56.93 58.61 1xaf s PHE 142 Cb 0.08 -3.18 0.11 0.00 -0.57 0.00 0.00 43.02 39.45 1xaf s PHE 142 CO 0.58 -0.28 1.72 0.00 -0.10 0.00 0.00 175.22 177.15 1xaf h ALA 143 N 6.76 0.91 -2.25 5.36 0.00 -1.87 -3.45 119.26 124.73 1xaf h ALA 143 Ca -0.41 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 53.78 1xaf h ALA 143 Cb 1.22 -0.27 0.19 0.00 0.00 0.00 0.00 17.79 18.93 1xaf h ALA 143 CO 0.76 0.61 0.18 0.34 0.00 0.00 0.00 179.25 181.14 1xaf s ASP 144 N -6.37 2.59 0.36 0.00 -1.08 -1.26 -5.01 116.67 105.91 1xaf s ASP 144 Ca -0.12 1.87 -0.17 0.00 -0.52 0.00 0.00 52.55 53.60 1xaf s ASP 144 Cb 0.14 -2.43 -0.10 0.00 -1.46 0.00 0.00 42.92 39.07 1xaf s ASP 144 CO 0.84 -3.25 0.81 -0.54 0.52 0.00 0.00 175.17 173.55 1xaf s LYS 145 N -4.66 4.08 0.44 4.34 -0.14 -1.26 -4.97 119.74 117.57 1xaf s LYS 145 Ca 0.66 0.83 0.10 0.00 -1.36 0.00 0.00 55.97 56.20 1xaf s LYS 145 Cb -0.22 -2.34 0.97 0.00 -1.68 0.00 0.00 37.83 34.56 1xaf s LYS 145 CO 0.59 0.09 2.08 -1.35 -0.76 0.00 0.00 175.35 176.00 1xaf h PRO 146 N 2.13 0.39 -1.08 -1.68 0.11 -1.87 0.39 132.00 130.40 1xaf h PRO 146 Ca -0.48 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 65.91 1xaf h PRO 146 Cb 1.18 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.08 1xaf h PRO 146 CO 0.64 0.26 0.67 1.05 -0.21 0.00 0.00 178.00 180.41 1xaf h GLU 147 N 0.41 0.35 -0.02 1.05 4.11 -1.91 -1.02 114.58 117.53 1xaf h GLU 147 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1xaf h GLU 147 Cb -0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1xaf h GLU 147 CO -0.03 0.23 0.00 0.09 0.07 0.00 0.00 179.01 179.37 1xaf n ASN 148 N -4.78 1.57 -4.71 3.06 3.02 0.14 -4.86 115.26 108.70 1xaf n ASN 148 Ca 0.29 -1.53 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 1xaf n ASN 148 Cb 0.98 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.99 5.25 0.01 2.41 1.01 -0.39 -1.75 121.20 125.75 1xaf s ILE 149 Ca 0.37 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.64 1xaf s ILE 149 Cb 0.21 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1xaf s ILE 149 CO 0.33 0.33 0.29 -0.76 0.00 0.00 0.00 174.94 175.14 1xaf s LEU 150 N 0.74 4.38 -0.06 2.97 1.43 -0.05 -4.31 118.68 123.78 1xaf s LEU 150 Ca 0.20 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1xaf s LEU 150 Cb -0.14 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1xaf s LEU 150 CO 0.07 0.26 -0.09 0.00 0.23 0.00 0.00 176.35 176.81 1xaf s ALA 151 N -1.28 1.05 -0.16 4.21 0.00 -0.54 -2.18 121.76 122.86 1xaf s ALA 151 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1xaf s ALA 151 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1xaf s ALA 151 CO 0.15 0.06 -0.12 -0.46 0.00 0.00 0.00 175.76 175.39 1xaf s TRP 152 N 0.77 2.83 -0.38 0.00 -0.00 0.56 -0.45 118.94 122.27 1xaf s TRP 152 Ca -0.13 -0.87 -0.22 0.00 -0.00 0.00 0.00 56.10 54.88 1xaf s TRP 152 Cb -0.15 -1.91 0.01 0.00 -0.00 0.00 0.00 33.47 31.42 1xaf s TRP 152 CO 0.02 -0.38 0.71 -0.51 -0.00 0.00 0.00 176.95 176.78 1xaf s LEU 153 N 0.75 4.24 0.88 5.86 1.43 0.18 -1.15 118.68 130.87 1xaf s LEU 153 Ca -0.05 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1xaf s LEU 153 Cb -0.15 -2.88 0.16 0.00 0.03 0.00 0.00 46.19 43.35 1xaf s LEU 153 CO 0.01 -0.71 1.22 -0.83 0.23 0.00 0.00 176.35 176.28 1xaf s GLY 154 N 1.89 1.75 0.04 -3.19 0.00 0.99 -1.11 107.32 107.69 1xaf s GLY 154 Ca 0.27 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 1xaf s GLY 154 CO 0.17 -0.54 1.62 -4.14 0.00 0.00 0.00 173.10 170.21 1xaf s PRO 155 N -5.67 4.21 0.25 2.90 0.02 -1.26 -4.49 135.00 130.95 1xaf s PRO 155 Ca 0.70 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.99 1xaf s PRO 155 Cb -0.05 -3.66 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 1xaf s PRO 155 CO 0.50 -0.73 0.21 0.00 -0.33 0.00 0.00 177.00 176.65 1xaf s ALA 156 N 2.83 1.29 -0.07 -1.55 0.00 -1.26 -4.47 121.76 118.53 1xaf s ALA 156 Ca 0.72 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1xaf s ALA 156 Cb -0.38 1.39 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 1xaf s ALA 156 CO 0.31 -0.63 1.58 -1.50 0.00 0.00 0.00 175.76 175.52 1xaf s ILE 157 N -3.89 3.70 0.83 0.00 2.07 -0.43 -1.05 121.20 122.43 1xaf s ILE 157 Ca 0.38 0.85 -0.11 0.00 -1.41 0.00 0.00 60.65 60.37 1xaf s ILE 157 Cb 0.05 -3.55 0.13 0.00 0.13 0.00 0.00 42.46 39.22 1xaf s ILE 157 CO 0.17 -0.07 1.17 -0.83 -1.91 0.00 0.00 174.94 173.46 1xaf s GLY 158 N 3.07 1.72 0.23 1.50 0.00 -1.26 -4.62 107.32 107.95 1xaf s GLY 158 Ca 0.70 -1.09 0.19 0.00 0.00 0.00 0.00 44.72 44.51 1xaf s GLY 158 CO 0.27 -0.51 1.57 -1.55 0.00 0.00 0.00 173.10 172.89 1xaf n PRO 159 N -3.32 0.13 0.00 2.90 -0.04 -1.26 -1.38 135.00 132.03 1xaf n PRO 159 Ca 0.12 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1xaf n PRO 159 Cb 0.60 -1.84 0.27 0.00 -0.04 0.00 0.00 33.50 32.49 1xaf n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xaf n ARG 160 N -2.09 0.11 0.00 0.54 1.74 -1.26 -4.30 116.66 111.40 1xaf n ARG 160 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1xaf n ARG 160 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.38 1.92 -2.61 7.54 0.00 -0.55 -4.95 120.51 120.48 1xaf n ALA 161 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1xaf n ALA 161 Cb 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.92 2.81 -0.11 0.00 5.36 -0.48 -4.96 117.98 118.68 1xaf s PHE 162 Ca 0.00 -1.60 -0.26 0.00 -0.96 0.00 0.00 56.93 54.11 1xaf s PHE 162 Cb 0.00 -4.72 -0.02 0.00 -0.34 0.00 0.00 43.02 37.94 1xaf s PHE 162 CO 0.00 -1.79 0.84 -2.00 -1.46 0.00 0.00 175.22 170.81 1xaf s GLU 163 N 4.09 4.39 0.13 10.12 2.12 -1.26 -0.24 118.70 138.06 1xaf s GLU 163 Ca 0.52 1.08 0.06 0.00 0.36 0.00 0.00 54.97 57.00 1xaf s GLU 163 Cb 0.03 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1xaf s GLU 163 CO 0.06 -0.18 -0.14 0.14 -0.54 0.00 0.00 175.26 174.60 1xaf s VAL 164 N 1.61 1.36 0.86 3.70 -7.23 0.10 -4.96 120.40 115.85 1xaf s VAL 164 Ca 0.41 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 1xaf s VAL 164 Cb -0.18 -1.63 0.11 0.00 0.56 0.00 0.00 36.38 35.24 1xaf s VAL 164 CO 0.17 -0.48 1.09 -0.83 -0.31 0.00 0.00 175.10 174.74 1xaf s GLY 165 N -2.64 1.62 0.47 2.32 0.00 -1.26 -1.22 107.32 106.61 1xaf s GLY 165 Ca 0.11 -0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.91 1xaf s GLY 165 CO 0.03 0.40 2.07 0.00 0.00 0.00 0.00 173.10 175.61 1xaf h ALA 166 N -1.42 1.97 -0.73 3.20 0.00 -1.93 -2.07 119.26 118.27 1xaf h ALA 166 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1xaf h ALA 166 Cb 1.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1xaf h ALA 166 CO 0.55 -0.02 0.21 1.05 0.00 0.00 0.00 179.25 181.04 1xaf h GLU 167 N 0.25 1.15 0.06 0.00 9.09 -1.96 -0.58 114.58 122.61 1xaf h GLU 167 Ca 0.13 -0.26 -0.00 0.00 0.05 0.00 0.00 59.36 59.28 1xaf h GLU 167 Cb 0.20 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1xaf h GLU 167 CO -0.03 0.99 -0.04 0.28 0.05 0.00 0.00 179.01 180.27 1xaf h VAL 168 N 1.10 0.91 -0.84 -1.06 2.07 -1.74 0.18 116.25 116.88 1xaf h VAL 168 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 1xaf h VAL 168 Cb 0.33 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1xaf h VAL 168 CO -0.00 0.00 0.52 -0.09 0.02 0.00 0.00 177.57 178.01 1xaf h ARG 169 N -0.10 0.92 -0.14 1.57 2.43 -1.49 -2.16 114.38 115.40 1xaf h ARG 169 Ca -0.00 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xaf h ARG 169 Cb 0.09 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1xaf h ARG 169 CO 0.00 0.61 0.07 0.93 -1.51 0.00 0.00 179.97 180.07 1xaf h GLU 170 N 0.94 0.15 -0.90 0.20 5.08 -0.51 -2.95 114.58 116.59 1xaf h GLU 170 Ca 0.37 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 1xaf h GLU 170 Cb 0.17 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1xaf h GLU 170 CO -0.17 0.10 0.54 0.00 -1.00 0.00 0.00 179.01 178.48 1xaf h ALA 171 N 1.07 1.32 0.00 3.43 0.00 -0.15 -1.89 119.26 123.05 1xaf h ALA 171 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xaf h ALA 171 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xaf h ALA 171 CO -0.04 0.16 0.00 1.19 0.00 0.00 0.00 179.25 180.56 1xaf n PHE 172 N -4.69 0.00 0.00 0.00 3.72 -0.86 -3.63 117.46 112.00 1xaf n PHE 172 Ca 0.16 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xaf n PHE 172 Cb 0.31 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.56 0.00 -0.03 4.37 0.00 -0.71 -2.41 120.51 122.28 1xaf n ALA 174 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1xaf n ALA 174 Cb 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.49 1xaf n ALA 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xaf n VAL 175 N 0.00 1.63 -3.15 0.00 0.31 -1.24 -4.91 118.33 110.97 1xaf n VAL 175 Ca 0.00 -0.74 0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1xaf n VAL 175 Cb 0.00 -1.22 -0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1xaf n VAL 175 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xaf s ASP 176 N -6.36 -1.58 0.50 4.52 3.68 -1.01 -5.06 116.67 111.36 1xaf s ASP 176 Ca -0.14 0.29 0.16 0.00 2.13 0.00 0.00 52.55 55.00 1xaf s ASP 176 Cb 0.07 2.05 1.22 0.00 -1.45 0.00 0.00 42.92 44.82 1xaf s ASP 176 CO 0.79 -0.29 2.10 0.00 0.13 0.00 0.00 175.17 177.90 1xaf h ALA 177 N 8.00 2.04 0.00 3.66 0.00 -1.91 -0.63 119.26 130.43 1xaf h ALA 177 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xaf h ALA 177 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xaf h ALA 177 CO 0.17 -0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.97 1xaf n LYS 178 N -4.50 0.27 0.04 0.00 5.02 -1.26 -2.86 118.16 114.86 1xaf n LYS 178 Ca 0.01 0.11 0.21 0.00 -2.02 0.00 0.00 58.31 56.62 1xaf n LYS 178 Cb 0.19 -1.50 0.73 0.00 -0.02 0.00 0.00 35.03 34.43 1xaf n LYS 178 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xaf h ALA 179 N 2.74 2.33 -0.98 7.82 0.00 -1.40 -2.96 119.26 126.80 1xaf h ALA 179 Ca 0.00 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.20 1xaf h ALA 179 Cb 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1xaf h ALA 179 CO 0.00 -0.66 0.51 1.03 0.00 0.00 0.00 179.25 180.13 1xaf h SER 180 N 0.00 0.42 0.40 0.00 0.87 -1.78 0.19 113.55 113.65 1xaf h SER 180 Ca 0.23 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1xaf h SER 180 Cb 1.04 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xaf h SER 180 CO -0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 176.83 176.15 1xaf h ALA 181 N 1.84 1.00 -0.00 6.23 0.00 -1.82 -2.94 119.26 123.56 1xaf h ALA 181 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1xaf h ALA 181 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1xaf h ALA 181 CO -0.62 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 178.40 1xaf n ALA 182 N -1.98 2.99 -2.60 0.00 0.00 0.68 -4.85 120.51 114.76 1xaf n ALA 182 Ca -0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 1xaf n ALA 182 Cb 0.15 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.60 2.74 -0.08 0.00 0.08 -1.11 -0.43 117.98 116.58 1xaf s PHE 183 Ca 0.23 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1xaf s PHE 183 Cb 0.19 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 1xaf s PHE 183 CO 0.53 0.13 -0.16 0.42 -0.10 0.00 0.00 175.22 176.04 1xaf s ILE 184 N -0.54 1.42 0.45 0.64 1.01 -0.24 -4.95 121.20 119.00 1xaf s ILE 184 Ca 0.07 -0.64 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 1xaf s ILE 184 Cb -0.12 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 40.99 1xaf s ILE 184 CO 0.01 0.42 1.15 0.00 0.00 0.00 0.00 174.94 176.53 1xaf n GLN 185 N 3.78 1.59 -3.16 2.79 6.02 -1.26 -0.47 117.38 126.67 1xaf n GLN 185 Ca -0.21 0.57 0.03 0.00 -0.01 0.00 0.00 57.00 57.38 1xaf n GLN 185 Cb 0.52 -2.25 -0.00 0.00 1.02 0.00 0.00 30.24 29.52 1xaf n GLN 185 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xaf s HIS 186 N -1.27 -1.72 0.00 1.08 2.46 0.13 -4.70 115.29 111.27 1xaf s HIS 186 Ca 0.64 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.97 1xaf s HIS 186 Cb -0.51 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.24 1xaf s HIS 186 CO 0.56 -1.05 0.00 0.41 -2.47 0.00 0.00 174.74 172.19 1xaf n GLY 187 N 5.10 2.31 0.00 1.59 0.00 -1.26 -1.21 105.19 111.72 1xaf n GLY 187 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1xaf n GLY 187 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xaf n ASP 188 N -0.35 0.00 -3.22 1.61 3.85 -1.26 -4.82 116.55 112.36 1xaf n ASP 188 Ca 0.00 -1.26 -0.17 0.00 -0.71 0.00 0.00 54.79 52.66 1xaf n ASP 188 Cb 0.00 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 1xaf n ASP 188 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1xaf n LYS 189 N -0.65 1.08 -4.25 0.11 4.01 -0.35 -4.34 118.16 113.78 1xaf n LYS 189 Ca 0.05 -2.01 -0.19 0.00 -0.51 0.00 0.00 58.31 55.65 1xaf n LYS 189 Cb 0.02 0.75 -0.13 0.00 -0.51 0.00 0.00 35.03 35.17 1xaf n LYS 189 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1xaf s TYR 190 N -2.17 1.23 -0.14 2.13 1.51 -0.36 0.19 117.35 119.74 1xaf s TYR 190 Ca 0.05 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.51 1xaf s TYR 190 Cb 0.00 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1xaf s TYR 190 CO 0.03 0.05 0.51 -0.51 -1.11 0.00 0.00 175.55 174.53 1xaf s LEU 191 N -1.48 4.23 -0.05 -1.29 1.43 0.38 0.02 118.68 121.93 1xaf s LEU 191 Ca -0.00 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1xaf s LEU 191 Cb -0.09 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1xaf s LEU 191 CO 0.02 -0.08 -0.15 0.00 0.23 0.00 0.00 176.35 176.37 1xaf s ALA 192 N 1.01 2.62 -0.57 4.21 0.00 0.67 -1.08 121.76 128.62 1xaf s ALA 192 Ca 0.26 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 1xaf s ALA 192 Cb -0.15 -0.93 0.14 0.00 0.00 0.00 0.00 23.12 22.17 1xaf s ALA 192 CO 0.11 0.55 0.53 0.34 0.00 0.00 0.00 175.76 177.29 1xaf s ASP 193 N -0.72 6.24 0.40 0.00 -1.08 0.42 -4.04 116.67 117.89 1xaf s ASP 193 Ca 0.11 -1.92 0.16 0.00 -0.52 0.00 0.00 52.55 50.38 1xaf s ASP 193 Cb -0.11 -2.20 0.84 0.00 -1.46 0.00 0.00 42.92 39.99 1xaf s ASP 193 CO 0.00 -0.81 1.86 -0.29 0.52 0.00 0.00 175.17 176.45 1xaf h ILE 194 N 5.75 1.10 -0.31 4.11 2.10 -1.88 -2.02 117.51 126.37 1xaf h ILE 194 Ca -0.24 -1.18 -0.07 0.00 1.08 0.00 0.00 64.86 64.45 1xaf h ILE 194 Cb 1.09 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.47 1xaf h ILE 194 CO 0.99 0.32 -0.07 1.88 -1.08 0.00 0.00 178.15 180.19 1xaf h TYR 195 N 0.00 0.67 -0.17 2.19 0.05 -1.91 -1.37 116.97 116.43 1xaf h TYR 195 Ca -0.00 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.66 1xaf h TYR 195 Cb 0.63 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1xaf h TYR 195 CO 0.00 0.78 0.02 1.96 -1.05 0.00 0.00 178.16 179.87 1xaf h GLN 196 N 0.37 0.08 -0.72 4.88 4.20 -1.89 -0.97 115.11 121.06 1xaf h GLN 196 Ca 0.08 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1xaf h GLN 196 Cb 0.56 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1xaf h GLN 196 CO 0.03 0.05 0.35 -0.07 -0.67 0.00 0.00 178.83 178.53 1xaf h LEU 197 N 0.08 0.94 -0.65 1.46 3.38 -1.35 -1.70 115.31 117.47 1xaf h LEU 197 Ca 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xaf h LEU 197 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1xaf h LEU 197 CO -0.11 0.80 0.20 0.00 0.09 0.00 0.00 178.44 179.42 1xaf h ALA 198 N 1.17 0.86 -0.36 1.53 0.00 -1.12 -2.37 119.26 118.97 1xaf h ALA 198 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xaf h ALA 198 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xaf h ALA 198 CO -0.03 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.80 1xaf h ARG 199 N 0.95 0.54 -0.19 0.00 3.08 -0.74 -1.39 114.38 116.63 1xaf h ARG 199 Ca 0.21 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1xaf h ARG 199 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xaf h ARG 199 CO -0.01 0.53 -0.01 1.96 -1.07 0.00 0.00 179.97 181.37 1xaf h GLN 200 N 0.52 0.34 -0.94 0.04 4.20 -1.10 -0.94 115.11 117.23 1xaf h GLN 200 Ca 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1xaf h GLN 200 Cb 0.27 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1xaf h GLN 200 CO 0.00 0.57 0.57 0.00 -0.67 0.00 0.00 178.83 179.30 1xaf h ARG 201 N 0.08 1.28 -0.35 1.46 2.47 -1.18 -1.29 114.38 116.86 1xaf h ARG 201 Ca 0.05 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 1xaf h ARG 201 Cb 0.42 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1xaf h ARG 201 CO 0.01 0.90 -0.11 -0.07 0.56 0.00 0.00 179.97 181.26 1xaf h LEU 202 N 1.30 0.71 0.21 3.04 3.38 -1.10 -2.93 115.31 119.92 1xaf h LEU 202 Ca 0.34 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xaf h LEU 202 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1xaf h LEU 202 CO -0.06 0.93 -0.10 0.00 0.09 0.00 0.00 178.44 179.29 1xaf h ALA 203 N 0.81 -0.28 -0.08 1.53 0.00 -0.97 -0.15 119.26 120.12 1xaf h ALA 203 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xaf h ALA 203 Cb 0.63 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xaf h ALA 203 CO 0.04 -0.66 0.55 -0.91 0.00 0.00 0.00 179.25 178.27 1xaf h ASN 204 N -0.29 0.00 -0.01 0.00 2.35 -1.14 1.00 115.58 117.49 1xaf h ASN 204 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1xaf h ASN 204 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1xaf h ASN 204 CO 0.04 0.00 -0.35 0.52 -1.65 0.00 0.00 177.43 176.00 1xaf n VAL 205 N -2.87 0.00 0.00 2.81 0.31 -0.99 -5.01 118.33 112.58 1xaf n VAL 205 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1xaf n VAL 205 Cb 0.61 1.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.63 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 1.07 0.55 3.62 2.92 0.00 0.34 -4.78 105.19 108.91 1xaf n GLY 206 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.60 -0.12 1.61 1.01 -0.14 -3.74 120.40 121.62 1xaf s VAL 207 Ca 0.00 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.44 1xaf s VAL 207 Cb 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1xaf s VAL 207 CO 0.00 -0.46 0.20 -1.84 0.00 0.00 0.00 175.10 173.00 1xaf n GLU 208 N 6.70 1.80 -3.24 2.72 0.28 -1.26 -3.73 120.64 123.90 1xaf n GLU 208 Ca 0.08 -0.04 -0.46 0.00 -0.16 0.00 0.00 57.16 56.58 1xaf n GLU 208 Cb 0.48 -1.05 -0.03 0.00 1.43 0.00 0.00 31.44 32.28 1xaf n GLU 208 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1xaf s GLN 209 N -2.19 3.51 -0.07 3.44 -1.52 -1.26 -5.00 119.66 116.57 1xaf s GLN 209 Ca -0.01 -2.18 0.05 0.00 -1.95 0.00 0.00 55.36 51.27 1xaf s GLN 209 Cb 0.05 -4.50 -0.01 0.00 -0.22 0.00 0.00 33.01 28.33 1xaf s GLN 209 CO 0.29 -1.40 -0.21 0.42 -0.25 0.00 0.00 175.29 174.13 1xaf s ILE 210 N 0.94 2.38 0.29 1.08 1.01 -1.26 -1.46 121.20 124.18 1xaf s ILE 210 Ca 0.19 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1xaf s ILE 210 Cb -0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1xaf s ILE 210 CO -0.07 0.57 0.10 -0.36 0.00 0.00 0.00 174.94 175.17 1xaf s PHE 211 N -0.17 1.66 0.00 3.97 0.40 0.41 -4.98 117.98 119.26 1xaf s PHE 211 Ca -0.03 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1xaf s PHE 211 Cb -0.14 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1xaf s PHE 211 CO 0.04 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.09 1xaf n GLY 212 N -0.56 -0.40 2.08 4.36 0.00 -1.26 -0.65 105.19 108.76 1xaf n GLY 212 Ca -0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 0.49 0.37 -0.02 0.00 -0.27 -4.81 105.19 100.94 1xaf n GLY 213 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 1.42 2.20 -4.89 1.61 3.85 -1.26 -5.00 116.55 114.47 1xaf n ASP 214 Ca -0.04 -1.71 -0.20 0.00 -0.71 0.00 0.00 54.79 52.13 1xaf n ASP 214 Cb 0.26 -0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 39.92 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 -0.84 2.58 -0.14 0.11 1.81 -1.26 -5.12 118.95 116.09 1xaf s ARG 215 Ca 0.12 -1.49 -0.04 0.00 -1.72 0.00 0.00 55.73 52.61 1xaf s ARG 215 Cb 0.07 -2.43 0.07 0.00 -0.45 0.00 0.00 34.95 32.20 1xaf s ARG 215 CO 0.10 -0.19 0.19 0.00 -0.68 0.00 0.00 175.30 174.71 1xaf h THR 217 N 6.34 1.18 -0.11 0.00 1.35 -1.41 -2.36 112.91 117.91 1xaf h THR 217 Ca -0.15 -0.44 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1xaf h THR 217 Cb 1.13 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1xaf h THR 217 CO 0.20 0.20 -0.02 0.22 -0.25 0.00 0.00 175.52 175.87 1xaf h TYR 218 N 0.82 0.23 0.09 4.73 3.20 -1.86 -3.35 116.97 120.82 1xaf h TYR 218 Ca 0.21 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1xaf h TYR 218 Cb 0.02 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1xaf h TYR 218 CO 0.00 0.49 -0.04 1.15 -1.64 0.00 0.00 178.16 178.13 1xaf h THR 219 N -0.11 1.05 -0.93 1.81 2.02 -1.95 -3.38 112.91 111.43 1xaf h THR 219 Ca 0.03 -0.50 -0.73 0.00 0.77 0.00 0.00 66.41 65.97 1xaf h THR 219 Cb 0.42 1.38 -0.10 0.00 -1.74 0.00 0.00 68.15 68.10 1xaf h THR 219 CO 0.01 0.12 2.54 -0.62 0.37 0.00 0.00 175.52 177.95 1xaf n GLU 220 N -5.03 3.81 0.29 6.66 1.02 -0.89 -4.75 120.64 121.74 1xaf n GLU 220 Ca -0.08 -3.20 0.19 0.00 -0.02 0.00 0.00 57.16 54.05 1xaf n GLU 220 Cb 0.16 -2.88 0.85 0.00 -0.02 0.00 0.00 31.44 29.56 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 5.34 0.00 1.83 1.62 7.08 -1.78 -0.95 115.58 128.72 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 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 1xaf h ASN 221 CO 1.64 0.00 0.00 -0.33 -2.08 0.00 0.00 177.43 176.66 1xaf h GLU 222 N 0.00 0.00 0.00 4.14 4.39 -1.95 -3.36 114.58 117.80 1xaf h GLU 222 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1xaf h GLU 222 Cb 0.34 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1xaf h GLU 222 CO 0.00 0.00 -2.07 2.41 -1.16 0.00 0.00 179.01 178.19 1xaf n THR 223 N -3.08 1.08 -4.50 1.13 -1.04 -0.52 -4.76 114.28 102.58 1xaf n THR 223 Ca 0.03 -0.59 -0.22 0.00 -2.04 0.00 0.00 64.05 61.24 1xaf n THR 223 Cb 0.49 -0.77 -0.14 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.38 1.39 0.59 -1.42 0.08 -0.48 -0.00 117.98 115.76 1xaf s PHE 224 Ca -0.13 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.41 1xaf s PHE 224 Cb 0.05 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1xaf s PHE 224 CO 0.58 0.04 1.09 -0.06 -0.10 0.00 0.00 175.22 176.77 1xaf s PHE 225 N -0.72 2.78 -0.08 0.36 0.08 -1.26 -4.54 117.98 114.60 1xaf s PHE 225 Ca 0.04 1.54 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 1xaf s PHE 225 Cb -0.08 -3.14 0.05 0.00 -0.57 0.00 0.00 43.02 39.28 1xaf s PHE 225 CO 0.01 -1.39 0.17 0.45 -0.10 0.00 0.00 175.22 174.36 1xaf s SER 226 N -2.33 0.55 0.20 1.36 0.15 -1.26 -4.49 113.70 107.88 1xaf s SER 226 Ca 0.68 0.35 -0.09 0.00 0.70 0.00 0.00 55.95 57.58 1xaf s SER 226 Cb -0.20 0.29 0.12 0.00 -1.71 0.00 0.00 66.02 64.52 1xaf s SER 226 CO 0.33 -0.23 1.73 0.22 1.20 0.00 0.00 173.24 176.50 1xaf h TYR 227 N 8.14 1.13 -0.47 3.44 3.20 -1.44 0.51 116.97 131.47 1xaf h TYR 227 Ca -0.19 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.52 1xaf h TYR 227 Cb 1.12 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1xaf h TYR 227 CO 0.42 0.90 0.12 -0.09 -1.64 0.00 0.00 178.16 177.87 1xaf h ARG 228 N 1.04 0.75 -0.04 1.82 9.65 -1.93 0.11 114.38 125.79 1xaf h ARG 228 Ca 0.23 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1xaf h ARG 228 Cb 0.30 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1xaf h ARG 228 CO -0.01 0.73 -0.03 -0.09 2.80 0.00 0.00 179.97 183.37 1xaf h ARG 229 N 0.64 0.09 0.00 0.20 2.43 -1.90 -3.39 114.38 112.44 1xaf h ARG 229 Ca 0.15 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.11 1xaf h ARG 229 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1xaf h ARG 229 CO 0.00 0.54 -2.07 -0.25 -1.51 0.00 0.00 179.97 176.69 1xaf n ASP 230 N -4.79 0.11 0.00 -3.80 8.00 0.15 -5.01 116.55 111.22 1xaf n ASP 230 Ca -0.08 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1xaf n ASP 230 Cb 0.27 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 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 -2.52 0.00 -3.44 -1.24 0.00 0.38 -4.66 118.16 106.68 1xaf n LYS 231 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.75 1xaf n LYS 231 Cb 0.82 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.76 1xaf n LYS 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1xaf s THR 232 N 0.00 5.20 0.14 3.15 2.01 -1.26 -4.88 115.64 120.01 1xaf s THR 232 Ca 0.00 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 1xaf s THR 232 Cb 0.00 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.84 1xaf s THR 232 CO 0.00 0.01 1.04 0.28 -0.69 0.00 0.00 174.62 175.26 1xaf s THR 233 N 1.95 0.00 0.40 -0.82 -1.32 -1.26 -4.78 115.64 109.81 1xaf s THR 233 Ca 0.11 -0.57 -0.05 0.00 -1.21 0.00 0.00 61.69 59.97 1xaf s THR 233 Cb -0.16 -2.42 0.09 0.00 -1.51 0.00 0.00 72.50 68.50 1xaf s THR 233 CO 0.11 0.00 0.55 0.61 -2.21 0.00 0.00 174.62 173.68 1xaf n GLY 234 N -0.59 -0.57 0.00 6.08 0.00 -1.25 -4.88 105.19 103.99 1xaf n GLY 234 Ca -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.12 1.03 -3.53 1.61 5.12 -1.26 -4.78 116.66 112.73 1xaf n ARG 235 Ca 0.08 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.92 1xaf n ARG 235 Cb 0.26 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.55 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 -2.00 -1.81 0.08 7.54 0.00 -1.26 -1.69 121.76 122.62 1xaf s ALA 237 Ca 0.00 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.95 1xaf s ALA 237 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1xaf s ALA 237 CO 0.00 -0.73 -0.22 -1.12 0.00 0.00 0.00 175.76 173.68 1xaf s SER 238 N -2.54 2.71 0.00 0.00 0.01 -0.33 -0.66 113.70 112.89 1xaf s SER 238 Ca 0.06 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1xaf s SER 238 Cb -0.01 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 1xaf s SER 238 CO -0.08 0.14 -0.01 -0.36 0.41 0.00 0.00 173.24 173.34 1xaf s PHE 239 N -0.97 0.12 -0.04 2.43 0.08 0.10 -1.84 117.98 117.87 1xaf s PHE 239 Ca 0.09 -0.06 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 1xaf s PHE 239 Cb -0.10 -0.08 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 1xaf s PHE 239 CO 0.03 -0.01 0.16 -1.50 -0.10 0.00 0.00 175.22 173.80 1xaf s ILE 240 N -0.13 0.04 0.07 0.64 2.07 -0.70 -1.27 121.20 121.92 1xaf s ILE 240 Ca -0.01 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.74 1xaf s ILE 240 Cb -0.01 -0.34 0.04 0.00 0.13 0.00 0.00 42.46 42.29 1xaf s ILE 240 CO -0.00 -0.16 0.46 -1.66 -1.91 0.00 0.00 174.94 171.66 1xaf s TRP 241 N -0.56 -0.32 -0.13 3.50 -2.14 -0.47 -0.77 118.94 118.04 1xaf s TRP 241 Ca -0.06 0.24 -0.29 0.00 2.66 0.00 0.00 56.10 58.65 1xaf s TRP 241 Cb -0.04 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.61 1xaf s TRP 241 CO 0.01 -0.64 0.99 -0.51 -2.66 0.00 0.00 176.95 174.13 1xaf s LEU 242 N -2.23 4.22 0.00 -4.66 1.43 -1.26 -1.16 118.68 115.01 1xaf s LEU 242 Ca -0.03 1.46 0.19 0.00 -1.03 0.00 0.00 54.13 54.72 1xaf s LEU 242 Cb -0.00 -3.51 1.12 0.00 0.03 0.00 0.00 46.19 43.82 1xaf s LEU 242 CO -0.05 -0.47 1.51 -0.38 0.23 0.00 0.00 176.35 177.19