#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrn s ILE 6 N -1.89 4.47 0.38 0.00 1.01 0.77 -4.88 121.20 121.07 1xrn s ILE 6 Ca 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1xrn s ILE 6 Cb -0.11 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1xrn s ILE 6 CO 0.27 -1.15 0.64 -1.61 0.00 0.00 0.00 174.94 173.10 1xrn s GLU 7 N 3.70 3.57 0.23 2.79 2.02 -1.26 -1.97 118.70 127.78 1xrn s GLU 7 Ca 0.25 0.01 -0.22 0.00 0.02 0.00 0.00 54.97 55.02 1xrn s GLU 7 Cb -0.15 -2.54 0.05 0.00 0.10 0.00 0.00 34.13 31.58 1xrn s GLU 7 CO 0.15 0.04 0.86 1.21 0.02 0.00 0.00 175.26 177.54 1xrn s ASN 8 N -3.72 -0.16 -0.35 -0.19 2.47 -0.98 -5.01 114.94 107.00 1xrn s ASN 8 Ca 0.44 -0.60 0.14 0.00 0.42 0.00 0.00 52.86 53.27 1xrn s ASN 8 Cb -0.10 0.62 0.40 0.00 -1.45 0.00 0.00 41.25 40.72 1xrn s ASN 8 CO 0.36 -1.17 0.83 0.00 -3.72 0.00 0.00 177.10 173.40 1xrn n TYR 9 N -0.50 0.64 -2.05 0.43 4.19 -1.26 -2.68 117.16 115.92 1xrn n TYR 9 Ca -0.05 -3.39 -0.29 0.00 3.31 0.00 0.00 57.90 57.48 1xrn n TYR 9 Cb 0.60 -0.40 0.04 0.00 0.49 0.00 0.00 39.34 40.07 1xrn n TYR 9 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xrn s ALA 10 N -2.73 3.03 -0.06 2.98 0.00 -1.17 -4.65 121.76 119.16 1xrn s ALA 10 Ca 0.35 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.58 1xrn s ALA 10 Cb 0.40 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1xrn s ALA 10 CO -0.03 -1.01 0.92 0.21 0.00 0.00 0.00 175.76 175.85 1xrn s LYS 11 N -5.24 4.47 -0.27 0.00 2.20 -1.26 -0.51 119.74 119.13 1xrn s LYS 11 Ca 0.57 1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 57.43 1xrn s LYS 11 Cb -0.11 -3.49 0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1xrn s LYS 11 CO 0.50 -0.14 0.08 0.08 -0.36 0.00 0.00 175.35 175.51 1xrn s VAL 12 N 1.38 0.68 -1.17 4.02 1.01 -0.70 -4.84 120.40 120.79 1xrn s VAL 12 Ca 0.47 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1xrn s VAL 12 Cb -0.19 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1xrn s VAL 12 CO 0.22 -0.52 0.08 -3.20 0.00 0.00 0.00 175.10 171.67 1xrn n ASN 13 N 4.95 -4.37 0.00 3.32 5.15 -1.26 -3.71 115.26 119.34 1xrn n ASN 13 Ca -0.05 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1xrn n ASN 13 Cb 0.44 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 1xrn n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xrn n GLY 14 N -1.06 3.38 3.64 8.20 0.00 -1.26 -5.05 105.19 113.03 1xrn n GLY 14 Ca -0.15 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1xrn n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xrn s ILE 15 N 0.00 3.86 0.06 -0.61 -4.36 -1.24 -5.05 121.20 113.86 1xrn s ILE 15 Ca 0.00 -0.75 -0.31 0.00 -0.26 0.00 0.00 60.65 59.34 1xrn s ILE 15 Cb 0.00 -2.72 -0.08 0.00 1.25 0.00 0.00 42.46 40.91 1xrn s ILE 15 CO 0.00 0.35 1.64 -0.31 0.24 0.00 0.00 174.94 176.86 1xrn s TYR 16 N -1.07 2.43 -0.05 1.37 1.51 -1.26 -1.72 117.35 118.56 1xrn s TYR 16 Ca 0.19 0.34 0.06 0.00 -1.01 0.00 0.00 57.07 56.64 1xrn s TYR 16 Cb -0.11 -3.95 -0.02 0.00 -0.11 0.00 0.00 41.96 37.77 1xrn s TYR 16 CO 0.10 -3.81 -0.22 0.42 -1.11 0.00 0.00 175.55 170.93 1xrn s ILE 17 N 2.67 2.34 0.09 2.71 -1.09 0.33 -2.43 121.20 125.82 1xrn s ILE 17 Ca 0.73 -0.98 -0.21 0.00 -2.23 0.00 0.00 60.65 57.97 1xrn s ILE 17 Cb -0.39 -1.87 -0.07 0.00 -1.58 0.00 0.00 42.46 38.55 1xrn s ILE 17 CO 0.32 0.57 0.62 -0.47 -1.23 0.00 0.00 174.94 174.75 1xrn s TYR 18 N -0.37 3.83 0.00 3.97 5.04 -1.26 -3.06 117.35 125.50 1xrn s TYR 18 Ca 0.03 1.36 -0.08 0.00 -2.44 0.00 0.00 57.07 55.94 1xrn s TYR 18 Cb -0.12 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.62 1xrn s TYR 18 CO 0.02 0.56 0.15 1.52 -1.34 0.00 0.00 175.55 176.46 1xrn s TYR 19 N -1.07 0.02 -0.29 4.97 1.13 -1.09 -1.69 117.35 119.33 1xrn s TYR 19 Ca 0.31 -0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.88 1xrn s TYR 19 Cb -0.20 -0.04 0.08 0.00 -1.10 0.00 0.00 41.96 40.70 1xrn s TYR 19 CO 0.21 -0.30 -0.01 0.21 -2.51 0.00 0.00 175.55 173.15 1xrn s LYS 20 N -1.41 1.58 -0.40 -3.49 2.20 0.47 -2.31 119.74 116.37 1xrn s LYS 20 Ca -0.15 -1.38 -0.16 0.00 -0.36 0.00 0.00 55.97 53.92 1xrn s LYS 20 Cb -0.07 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 1xrn s LYS 20 CO 0.02 -0.76 0.39 -1.17 -0.36 0.00 0.00 175.35 173.47 1xrn s LEU 21 N 1.20 4.81 -0.51 5.43 2.96 -0.83 0.71 118.68 132.44 1xrn s LEU 21 Ca 0.01 -0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 1xrn s LEU 21 Cb -0.19 -2.33 0.12 0.00 0.50 0.00 0.00 46.19 44.29 1xrn s LEU 21 CO -0.09 -0.50 0.44 0.00 -1.32 0.00 0.00 176.35 174.88 1xrn s LYS 23 N 1.53 4.14 -0.11 0.00 1.02 -1.26 -2.10 119.74 122.97 1xrn s LYS 23 Ca 0.04 1.51 -0.11 0.00 0.02 0.00 0.00 55.97 57.43 1xrn s LYS 23 Cb -0.28 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1xrn s LYS 23 CO 0.02 -0.16 0.25 0.00 -0.92 0.00 0.00 175.35 174.54 1xrn s ALA 24 N -1.67 3.74 0.30 5.17 0.00 -1.26 -4.94 121.76 123.10 1xrn s ALA 24 Ca 0.58 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1xrn s ALA 24 Cb -0.22 -2.20 0.79 0.00 0.00 0.00 0.00 23.12 21.49 1xrn s ALA 24 CO 0.27 0.41 1.63 -1.35 0.00 0.00 0.00 175.76 176.72 1xrn h PRO 25 N 5.48 0.15 -2.22 0.00 0.11 -1.97 -2.05 132.00 131.51 1xrn h PRO 25 Ca -0.49 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 1xrn h PRO 25 Cb 1.20 -0.03 -0.42 0.00 0.11 0.00 0.00 31.00 31.86 1xrn h PRO 25 CO 0.65 0.10 -0.76 0.39 -0.21 0.00 0.00 178.00 178.17 1xrn n GLU 26 N -5.27 2.67 -1.52 1.05 1.02 -1.26 -5.10 120.64 112.23 1xrn n GLU 26 Ca 0.24 -4.51 -0.52 0.00 -0.02 0.00 0.00 57.16 52.34 1xrn n GLU 26 Cb 0.76 -2.11 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1xrn n GLU 26 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xrn n GLU 27 N -0.01 0.54 0.00 3.49 2.13 -0.77 -4.50 120.64 121.52 1xrn n GLU 27 Ca 0.29 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1xrn n GLU 27 Cb 0.45 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1xrn n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xrn n LYS 28 N 1.56 3.06 -3.64 5.31 5.02 0.10 -4.98 118.16 124.59 1xrn n LYS 28 Ca 0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 1xrn n LYS 28 Cb 0.19 -0.65 -0.07 0.00 -0.02 0.00 0.00 35.03 34.48 1xrn n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xrn s ALA 29 N -0.92 -1.96 -0.26 7.82 0.00 -0.99 -5.03 121.76 120.42 1xrn s ALA 29 Ca 0.00 1.95 -0.08 0.00 0.00 0.00 0.00 51.96 53.83 1xrn s ALA 29 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1xrn s ALA 29 CO 0.00 -0.27 0.11 0.15 0.00 0.00 0.00 175.76 175.75 1xrn s LYS 30 N 0.40 3.66 -0.18 0.00 1.02 -1.26 -1.40 119.74 121.98 1xrn s LYS 30 Ca 0.01 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.45 1xrn s LYS 30 Cb -0.05 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1xrn s LYS 30 CO -0.06 -0.22 0.06 -1.17 -0.92 0.00 0.00 175.35 173.03 1xrn s LEU 31 N 1.64 3.77 -0.10 3.17 2.96 0.13 -1.36 118.68 128.90 1xrn s LEU 31 Ca 0.06 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1xrn s LEU 31 Cb -0.16 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1xrn s LEU 31 CO 0.05 0.17 0.09 -0.32 -1.32 0.00 0.00 176.35 175.03 1xrn s MET 32 N 0.39 3.26 0.17 1.98 -2.45 0.33 -0.58 119.30 122.40 1xrn s MET 32 Ca 0.03 -0.25 0.10 0.00 -1.25 0.00 0.00 55.69 54.31 1xrn s MET 32 Cb -0.13 -3.03 -0.04 0.00 1.25 0.00 0.00 34.83 32.88 1xrn s MET 32 CO 0.00 0.74 -0.15 0.95 1.05 0.00 0.00 175.02 177.62 1xrn s THR 33 N -1.00 2.92 -0.28 10.11 -4.23 -0.86 -0.85 115.64 121.45 1xrn s THR 33 Ca 0.15 -1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1xrn s THR 33 Cb -0.12 -2.42 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1xrn s THR 33 CO 0.04 -0.08 0.10 -0.04 -0.54 0.00 0.00 174.62 174.10 1xrn s MET 34 N -2.68 0.47 0.77 3.99 -1.94 0.16 -4.60 119.30 115.47 1xrn s MET 34 Ca 0.23 -0.72 -0.13 0.00 -1.71 0.00 0.00 55.69 53.36 1xrn s MET 34 Cb -0.09 -1.69 0.06 0.00 2.01 0.00 0.00 34.83 35.13 1xrn s MET 34 CO 0.13 -0.93 1.14 -3.38 -0.01 0.00 0.00 175.02 171.97 1xrn s HIS 35 N 1.86 2.21 0.00 -0.03 -3.43 -1.26 -1.83 115.29 112.81 1xrn s HIS 35 Ca 0.07 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.96 1xrn s HIS 35 Cb -0.17 -3.26 0.00 0.00 -1.43 0.00 0.00 32.58 27.72 1xrn s HIS 35 CO -0.26 -2.24 0.00 0.41 -2.00 0.00 0.00 174.74 170.65 1xrn n GLY 36 N -0.28 -0.45 0.00 -1.38 0.00 -0.93 -3.00 105.19 99.16 1xrn n GLY 36 Ca 0.11 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1xrn n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrn n GLY 37 N 4.94 0.73 3.75 -0.02 0.00 -1.26 -3.44 105.19 109.90 1xrn n GLY 37 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1xrn n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xrn s PRO 38 N 0.00 4.62 0.00 1.61 0.02 -1.26 -4.75 135.00 135.24 1xrn s PRO 38 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1xrn s PRO 38 Cb 0.00 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1xrn s PRO 38 CO 0.00 0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.25 1xrn n GLY 39 N 1.37 1.21 0.00 0.52 0.00 -1.26 -2.73 105.19 104.30 1xrn n GLY 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xrn n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xrn n MET 40 N -0.56 0.00 -3.82 1.61 2.81 -1.22 -3.10 117.12 112.83 1xrn n MET 40 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1xrn n MET 40 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 1xrn n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xrn s SER 41 N -1.00 -0.04 0.43 7.83 1.04 -1.26 -3.22 113.70 117.48 1xrn s SER 41 Ca 0.00 -1.01 0.24 0.00 0.48 0.00 0.00 55.95 55.66 1xrn s SER 41 Cb 0.00 0.79 0.70 0.00 0.10 0.00 0.00 66.02 67.61 1xrn s SER 41 CO 0.00 -1.56 1.73 1.12 0.98 0.00 0.00 173.24 175.51 1xrn h HIS 42 N 2.00 0.00 -0.96 5.02 2.07 -1.97 -3.37 115.15 117.95 1xrn h HIS 42 Ca -0.30 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.38 1xrn h HIS 42 Cb 1.25 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.06 1xrn h HIS 42 CO 1.21 0.19 -0.33 -0.25 -3.07 0.00 0.00 177.93 175.68 1xrn n ASP 43 N -3.24 -0.54 -0.24 3.10 8.00 -1.26 0.00 116.55 122.37 1xrn n ASP 43 Ca 0.01 1.66 0.00 0.00 0.71 0.00 0.00 54.79 57.18 1xrn n ASP 43 Cb 0.49 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1xrn n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrn n TYR 44 N -5.46 0.00 -0.10 1.24 4.11 -1.14 -2.29 117.16 113.52 1xrn n TYR 44 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1xrn n TYR 44 Cb 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 1xrn n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xrn n LEU 45 N -0.17 0.65 -0.13 -3.48 4.77 0.10 -4.72 117.00 114.02 1xrn n LEU 45 Ca 0.00 -0.75 0.27 0.00 -0.03 0.00 0.00 56.01 55.49 1xrn n LEU 45 Cb 0.07 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.88 1xrn n LEU 45 CO 0.00 0.16 1.24 -0.07 -1.33 0.00 0.00 177.39 177.39 1xrn h LEU 46 N 0.00 0.00 -2.62 2.23 3.38 -1.44 0.66 115.31 117.52 1xrn h LEU 46 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xrn h LEU 46 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xrn h LEU 46 CO 0.00 0.00 0.11 0.77 0.09 0.00 0.00 178.44 179.41 1xrn h SER 47 N 0.00 0.00 0.48 -0.43 4.64 -1.84 0.34 113.55 116.73 1xrn h SER 47 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1xrn h SER 47 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1xrn h SER 47 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1xrn n LEU 48 N -3.17 0.00 0.13 5.97 4.32 0.22 -3.02 117.00 121.45 1xrn n LEU 48 Ca -0.02 0.37 0.06 0.00 -0.02 0.00 0.00 56.01 56.40 1xrn n LEU 48 Cb 0.18 -0.37 0.52 0.00 -1.62 0.00 0.00 43.42 42.12 1xrn n LEU 48 CO 0.20 -0.14 1.10 -0.09 -1.22 0.00 0.00 177.39 177.24 1xrn h ARG 49 N 0.00 0.27 -1.22 3.23 2.43 -0.51 -2.40 114.38 116.18 1xrn h ARG 49 Ca 0.00 -0.02 0.35 0.00 -0.81 0.00 0.00 59.98 59.51 1xrn h ARG 49 Cb 0.24 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1xrn h ARG 49 CO 0.00 0.19 0.96 -0.44 -1.51 0.00 0.00 179.97 179.17 1xrn h ASP 50 N 0.28 0.00 0.25 -3.80 3.45 -1.75 0.35 116.42 115.19 1xrn h ASP 50 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1xrn h ASP 50 Cb -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1xrn h ASP 50 CO -0.01 0.00 0.00 0.23 -1.57 0.00 0.00 179.24 177.89 1xrn n MET 51 N -3.96 0.05 0.19 3.56 2.81 -0.90 -1.74 117.12 117.12 1xrn n MET 51 Ca 0.27 0.29 0.05 0.00 -1.81 0.00 0.00 57.70 56.49 1xrn n MET 51 Cb 1.35 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 32.73 1xrn n MET 51 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1xrn h THR 52 N 0.00 1.04 -0.06 2.03 1.35 -0.32 -1.64 112.91 115.31 1xrn h THR 52 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1xrn h THR 52 Cb 0.12 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1xrn h THR 52 CO 0.00 0.37 0.00 0.29 -0.25 0.00 0.00 175.52 175.93 1xrn n LYS 53 N -3.74 1.32 -0.19 4.72 5.02 -0.71 -2.80 118.16 121.79 1xrn n LYS 53 Ca -0.01 -0.28 0.02 0.00 -2.02 0.00 0.00 58.31 56.02 1xrn n LYS 53 Cb 0.46 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1xrn n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xrn n GLU 54 N -0.01 0.74 -2.58 1.97 -0.58 -0.64 -4.99 120.64 114.54 1xrn n GLU 54 Ca 0.02 -1.23 -0.07 0.00 -0.42 0.00 0.00 57.16 55.46 1xrn n GLU 54 Cb 0.29 -0.77 0.01 0.00 -0.57 0.00 0.00 31.44 30.40 1xrn n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xrn n GLY 55 N -0.36 0.36 2.75 0.62 0.00 -1.12 -4.88 105.19 102.56 1xrn n GLY 55 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1xrn n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrn s ILE 56 N -2.82 0.87 0.08 -0.61 1.01 -1.05 0.00 121.20 118.69 1xrn s ILE 56 Ca 0.12 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.23 1xrn s ILE 56 Cb -0.05 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.79 1xrn s ILE 56 CO 0.14 -0.54 1.26 -0.89 0.00 0.00 0.00 174.94 174.90 1xrn s THR 57 N 1.64 3.79 -0.22 2.92 2.01 -0.49 -3.44 115.64 121.86 1xrn s THR 57 Ca 0.07 1.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.33 1xrn s THR 57 Cb -0.17 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 1xrn s THR 57 CO -0.21 0.11 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.08 1xrn s VAL 58 N 1.02 3.14 -0.30 3.82 1.01 -0.89 0.23 120.40 128.42 1xrn s VAL 58 Ca 0.60 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1xrn s VAL 58 Cb -0.32 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1xrn s VAL 58 CO 0.30 0.41 0.46 -0.22 0.00 0.00 0.00 175.10 176.04 1xrn s LEU 59 N 1.44 4.18 0.12 3.92 2.96 0.25 -1.65 118.68 129.89 1xrn s LEU 59 Ca 0.05 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 1xrn s LEU 59 Cb -0.14 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1xrn s LEU 59 CO -0.05 -0.32 0.10 -0.36 -1.32 0.00 0.00 176.35 174.40 1xrn s PHE 60 N 2.24 3.16 -0.12 5.38 0.08 0.22 -2.04 117.98 126.91 1xrn s PHE 60 Ca 0.17 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 1xrn s PHE 60 Cb -0.16 -1.57 0.12 0.00 -0.57 0.00 0.00 43.02 40.84 1xrn s PHE 60 CO 0.11 0.52 0.96 1.52 -0.10 0.00 0.00 175.22 178.23 1xrn s TYR 61 N -1.54 -0.37 -0.29 0.36 1.13 -1.26 0.18 117.35 115.55 1xrn s TYR 61 Ca 0.30 0.54 -0.15 0.00 -1.41 0.00 0.00 57.07 56.35 1xrn s TYR 61 Cb -0.11 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 1xrn s TYR 61 CO 0.22 -0.40 0.36 -0.51 -2.51 0.00 0.00 175.55 172.72 1xrn s ASP 62 N -1.47 6.21 1.01 -0.18 -0.00 -0.68 -4.26 116.67 117.29 1xrn s ASP 62 Ca -0.00 0.10 -0.12 0.00 -0.00 0.00 0.00 52.55 52.53 1xrn s ASP 62 Cb -0.01 -2.20 0.17 0.00 -0.00 0.00 0.00 42.92 40.88 1xrn s ASP 62 CO -0.01 -0.23 0.92 0.00 -0.00 0.00 0.00 175.17 175.85 1xrn n GLN 63 N 5.34 -1.04 -1.48 8.23 6.02 -1.26 -4.46 117.38 128.73 1xrn n GLN 63 Ca -0.09 -0.25 -0.48 0.00 -0.01 0.00 0.00 57.00 56.17 1xrn n GLN 63 Cb 0.50 -2.19 -0.03 0.00 1.02 0.00 0.00 30.24 29.54 1xrn n GLN 63 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1xrn n PHE 64 N -4.36 0.27 -0.81 1.08 -1.74 -1.26 -0.80 117.46 109.84 1xrn n PHE 64 Ca 0.08 0.87 0.00 0.00 -0.56 0.00 0.00 57.45 57.84 1xrn n PHE 64 Cb 0.53 -2.08 0.00 0.00 1.52 0.00 0.00 39.48 39.45 1xrn n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xrn n GLY 65 N 1.73 0.17 3.84 4.97 0.00 -0.79 -4.93 105.19 110.19 1xrn n GLY 65 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1xrn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrn n GLY 67 N -0.65 1.44 0.09 0.00 0.00 -1.20 -1.24 105.19 103.62 1xrn n GLY 67 Ca -0.08 0.57 0.01 0.00 0.00 0.00 0.00 46.02 46.52 1xrn n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrn n ARG 68 N 0.00 0.64 -1.09 1.61 1.74 -1.26 -4.96 116.66 113.33 1xrn n ARG 68 Ca 0.00 0.13 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 1xrn n ARG 68 Cb 0.00 -1.73 0.12 0.00 -1.02 0.00 0.00 32.46 29.83 1xrn n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrn s SER 69 N -5.54 3.84 0.47 0.55 0.01 -0.38 -4.80 113.70 107.84 1xrn s SER 69 Ca -0.05 2.08 -0.12 0.00 1.31 0.00 0.00 55.95 59.17 1xrn s SER 69 Cb 0.09 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 1xrn s SER 69 CO 0.83 -2.49 0.87 -1.83 0.41 0.00 0.00 173.24 171.03 1xrn s GLU 70 N -4.57 3.82 -0.10 12.44 -1.05 -1.02 -4.22 118.70 123.99 1xrn s GLU 70 Ca 0.66 0.66 -0.23 0.00 -0.15 0.00 0.00 54.97 55.91 1xrn s GLU 70 Cb -0.22 -2.27 -0.03 0.00 -0.44 0.00 0.00 34.13 31.17 1xrn s GLU 70 CO 0.54 -0.17 0.69 -2.00 0.95 0.00 0.00 175.26 175.26 1xrn s GLU 71 N -4.08 4.38 0.42 -4.83 2.12 -1.26 -1.89 118.70 113.55 1xrn s GLU 71 Ca 0.54 0.82 -0.04 0.00 0.36 0.00 0.00 54.97 56.65 1xrn s GLU 71 Cb -0.10 -3.48 0.09 0.00 0.26 0.00 0.00 34.13 30.90 1xrn s GLU 71 CO 0.34 -0.02 0.57 -0.35 -0.54 0.00 0.00 175.26 175.25 1xrn n PRO 72 N 4.13 -0.21 -1.96 4.30 -0.04 -1.26 -4.89 135.00 135.08 1xrn n PRO 72 Ca -0.01 -1.14 -0.41 0.00 -0.04 0.00 0.00 63.50 61.89 1xrn n PRO 72 Cb 0.51 -0.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.45 1xrn n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xrn s ASP 73 N -3.16 6.59 0.57 3.54 2.15 -1.26 -4.87 116.67 120.23 1xrn s ASP 73 Ca 0.34 2.73 0.33 0.00 0.43 0.00 0.00 52.55 56.38 1xrn s ASP 73 Cb -0.01 -2.63 1.44 0.00 -0.30 0.00 0.00 42.92 41.42 1xrn s ASP 73 CO 0.23 -0.75 1.75 1.56 -0.17 0.00 0.00 175.17 177.80 1xrn h GLN 74 N 4.99 0.00 0.00 4.34 4.20 -2.00 0.94 115.11 127.58 1xrn h GLN 74 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1xrn h GLN 74 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1xrn h GLN 74 CO 0.78 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.60 1xrn h SER 75 N 0.00 0.00 -0.66 1.46 4.64 -2.05 -0.80 113.55 116.14 1xrn h SER 75 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1xrn h SER 75 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1xrn h SER 75 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1xrn n LYS 76 N -2.75 2.55 -1.57 4.77 5.02 0.33 -4.65 118.16 121.87 1xrn n LYS 76 Ca -0.01 -2.41 -0.40 0.00 -2.02 0.00 0.00 58.31 53.47 1xrn n LYS 76 Cb 0.14 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1xrn n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xrn n PHE 77 N 1.47 2.62 -4.10 2.13 0.99 -0.31 -4.70 117.46 115.55 1xrn n PHE 77 Ca 0.22 -3.01 -0.08 0.00 -0.00 0.00 0.00 57.45 54.59 1xrn n PHE 77 Cb 0.57 -2.33 -0.10 0.00 -1.00 0.00 0.00 39.48 36.62 1xrn n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xrn s THR 78 N 1.43 0.32 0.25 4.37 -4.23 -1.26 -4.87 115.64 111.65 1xrn s THR 78 Ca 0.62 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1xrn s THR 78 Cb 0.17 -1.47 0.26 0.00 1.34 0.00 0.00 72.50 72.80 1xrn s THR 78 CO -0.07 -0.93 1.93 0.40 -0.54 0.00 0.00 174.62 175.41 1xrn h ILE 79 N 3.22 1.26 -0.81 2.99 2.04 -1.97 -1.38 117.51 122.85 1xrn h ILE 79 Ca -0.34 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.16 1xrn h ILE 79 Cb 1.15 -0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1xrn h ILE 79 CO 0.64 0.25 0.45 0.44 0.00 0.00 0.00 178.15 179.92 1xrn h ASP 80 N 1.36 0.61 -0.46 1.72 3.45 -1.96 0.28 116.42 121.42 1xrn h ASP 80 Ca 0.37 0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.77 1xrn h ASP 80 Cb -0.16 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1xrn h ASP 80 CO -0.08 0.33 -0.15 0.22 -1.57 0.00 0.00 179.24 177.99 1xrn h TYR 81 N 0.72 1.04 -0.75 4.55 3.20 -1.68 -2.75 116.97 121.30 1xrn h TYR 81 Ca 0.41 -0.24 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1xrn h TYR 81 Cb 0.43 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1xrn h TYR 81 CO -0.07 1.02 0.45 0.78 -1.64 0.00 0.00 178.16 178.70 1xrn h GLY 82 N 0.76 1.11 0.78 1.82 0.00 0.22 -0.79 103.07 106.97 1xrn h GLY 82 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1xrn h GLY 82 CO 0.05 0.23 -0.27 -2.08 0.00 0.00 0.00 176.54 174.48 1xrn h VAL 83 N 0.84 0.44 -0.79 4.60 2.07 -0.40 0.77 116.25 123.79 1xrn h VAL 83 Ca 0.32 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.96 1xrn h VAL 83 Cb 0.13 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1xrn h VAL 83 CO -0.16 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.50 1xrn h GLU 84 N -0.62 0.62 -0.76 1.57 4.39 -1.15 0.14 114.58 118.77 1xrn h GLU 84 Ca -0.03 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1xrn h GLU 84 Cb 0.54 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1xrn h GLU 84 CO -0.01 0.41 0.50 1.49 -1.16 0.00 0.00 179.01 180.24 1xrn h GLU 85 N 0.64 0.97 -0.19 2.33 4.81 -0.65 0.29 114.58 122.77 1xrn h GLU 85 Ca 0.41 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1xrn h GLU 85 Cb 0.49 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1xrn h GLU 85 CO -0.31 0.64 0.11 0.00 -0.73 0.00 0.00 179.01 178.72 1xrn h ALA 86 N 1.29 0.24 0.75 2.92 0.00 0.16 -1.04 119.26 123.57 1xrn h ALA 86 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xrn h ALA 86 Cb -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xrn h ALA 86 CO -0.08 -0.25 -0.36 1.49 0.00 0.00 0.00 179.25 180.05 1xrn h GLU 87 N 0.22 -0.97 -0.99 0.00 4.57 -0.21 -0.99 114.58 116.22 1xrn h GLU 87 Ca 0.07 0.07 0.25 0.00 -1.18 0.00 0.00 59.36 58.56 1xrn h GLU 87 Cb 0.03 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 28.76 1xrn h GLU 87 CO -0.01 -0.63 0.65 0.00 -1.18 0.00 0.00 179.01 177.84 1xrn h ALA 88 N -0.88 2.34 -0.04 2.92 0.00 -0.45 0.19 119.26 123.34 1xrn h ALA 88 Ca -0.10 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1xrn h ALA 88 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xrn h ALA 88 CO 0.17 -0.68 -0.89 1.25 0.00 0.00 0.00 179.25 179.10 1xrn h LEU 89 N 0.34 0.63 -0.86 0.00 5.85 -0.88 -1.09 115.31 119.30 1xrn h LEU 89 Ca 0.53 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1xrn h LEU 89 Cb 1.45 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1xrn h LEU 89 CO -0.20 1.26 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.97 1xrn h ARG 90 N 0.30 0.74 0.00 1.25 2.43 0.39 -2.68 114.38 116.81 1xrn h ARG 90 Ca -0.07 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1xrn h ARG 90 Cb 1.51 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1xrn h ARG 90 CO 0.16 0.82 -0.12 1.03 -1.51 0.00 0.00 179.97 180.35 1xrn h SER 91 N 0.67 0.00 0.00 -3.80 0.87 -1.36 0.12 113.55 110.05 1xrn h SER 91 Ca 0.12 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1xrn h SER 91 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1xrn h SER 91 CO 0.03 1.04 0.16 1.17 -0.53 0.00 0.00 176.83 178.70 1xrn n LYS 92 N -4.60 0.08 -0.03 2.24 0.00 -0.41 0.25 118.16 115.69 1xrn n LYS 92 Ca -0.12 0.53 -0.06 0.00 0.00 0.00 0.00 58.31 58.66 1xrn n LYS 92 Cb 0.49 -1.91 -0.02 0.00 0.00 0.00 0.00 35.03 33.59 1xrn n LYS 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xrn n LEU 93 N -1.90 0.43 -0.00 3.14 4.77 -1.01 -4.83 117.00 117.59 1xrn n LEU 93 Ca -0.01 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 1xrn n LEU 93 Cb 0.18 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1xrn n LEU 93 CO 0.05 0.12 -0.14 0.49 -1.33 0.00 0.00 177.39 176.58 1xrn n PHE 94 N -3.25 0.00 0.00 -1.77 3.72 0.38 -5.07 117.46 111.47 1xrn n PHE 94 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1xrn n PHE 94 Cb 0.58 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1xrn n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xrn n GLY 95 N 1.40 1.98 0.65 1.37 0.00 0.14 -3.24 105.19 107.50 1xrn n GLY 95 Ca 0.02 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1xrn n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xrn n ASN 96 N 9.62 2.33 -4.77 1.61 3.02 -1.26 -4.20 115.26 121.61 1xrn n ASN 96 Ca 0.00 -1.67 -0.41 0.00 -0.03 0.00 0.00 54.58 52.47 1xrn n ASN 96 Cb 0.00 0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1xrn n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xrn s GLU 97 N -1.64 4.21 0.02 3.52 2.12 -1.20 -4.97 118.70 120.76 1xrn s GLU 97 Ca 0.20 2.42 -0.27 0.00 0.36 0.00 0.00 54.97 57.67 1xrn s GLU 97 Cb 0.15 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1xrn s GLU 97 CO 0.28 -0.42 0.87 0.15 -0.54 0.00 0.00 175.26 175.59 1xrn s LYS 98 N -1.47 4.55 0.47 4.30 1.02 -1.26 -4.96 119.74 122.39 1xrn s LYS 98 Ca 0.54 1.23 0.02 0.00 0.02 0.00 0.00 55.97 57.79 1xrn s LYS 98 Cb -0.44 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 1xrn s LYS 98 CO 0.54 0.09 0.08 0.14 -0.92 0.00 0.00 175.35 175.29 1xrn s VAL 99 N 0.55 0.73 -0.19 3.17 -7.23 -1.14 -4.73 120.40 111.57 1xrn s VAL 99 Ca 0.45 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 1xrn s VAL 99 Cb -0.21 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1xrn s VAL 99 CO 0.25 0.00 0.11 -0.36 -0.31 0.00 0.00 175.10 174.79 1xrn s PHE 100 N -3.05 3.37 -0.12 2.82 0.08 -0.47 -0.34 117.98 120.27 1xrn s PHE 100 Ca 0.13 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.40 1xrn s PHE 100 Cb 0.01 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1xrn s PHE 100 CO 0.09 0.29 0.00 -1.17 -0.10 0.00 0.00 175.22 174.32 1xrn s LEU 101 N 0.22 3.53 0.03 -0.37 2.96 -0.66 0.12 118.68 124.53 1xrn s LEU 101 Ca 0.07 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1xrn s LEU 101 Cb -0.12 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1xrn s LEU 101 CO -0.01 0.30 -0.07 -0.32 -1.32 0.00 0.00 176.35 174.93 1xrn s MET 102 N -0.40 0.49 0.00 1.98 -2.45 -0.03 0.58 119.30 119.48 1xrn s MET 102 Ca 0.07 -0.66 -0.19 0.00 -1.25 0.00 0.00 55.69 53.67 1xrn s MET 102 Cb -0.12 -0.28 0.04 0.00 1.25 0.00 0.00 34.83 35.72 1xrn s MET 102 CO 0.02 0.05 0.41 0.20 1.05 0.00 0.00 175.02 176.75 1xrn s GLY 103 N -1.34 -0.27 -0.14 2.11 0.00 -0.54 -0.66 107.32 106.47 1xrn s GLY 103 Ca -0.09 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1xrn s GLY 103 CO 0.00 0.22 -0.21 -0.45 0.00 0.00 0.00 173.10 172.66 1xrn s SER 104 N -1.59 3.23 1.48 1.64 0.15 -0.76 -0.59 113.70 117.26 1xrn s SER 104 Ca -0.10 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1xrn s SER 104 Cb -0.02 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1xrn s SER 104 CO 0.02 0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.31 1xrn n SER 105 N 4.01 0.00 -0.34 5.45 2.88 -0.32 -0.28 113.62 125.01 1xrn n SER 105 Ca -0.20 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.38 1xrn n SER 105 Cb 0.52 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.17 1xrn n SER 105 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xrn h TYR 106 N 0.00 1.08 -0.30 0.66 5.03 -1.85 0.25 116.97 121.84 1xrn h TYR 106 Ca 0.00 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.42 1xrn h TYR 106 Cb 0.00 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 37.92 1xrn h TYR 106 CO 0.00 0.49 0.21 0.78 -1.32 0.00 0.00 178.16 178.32 1xrn h GLY 107 N 1.01 0.07 0.58 1.82 0.00 -0.54 0.25 103.07 106.24 1xrn h GLY 107 Ca 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1xrn h GLY 107 CO -0.22 0.01 -0.20 -1.33 0.00 0.00 0.00 176.54 174.80 1xrn h GLY 108 N 0.05 -0.58 0.29 4.60 0.00 -0.56 0.36 103.07 107.23 1xrn h GLY 108 Ca 0.14 0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.83 1xrn h GLY 108 CO -0.01 -0.21 0.50 0.00 0.00 0.00 0.00 176.54 176.82 1xrn h ALA 109 N -0.71 1.36 0.03 3.60 0.00 -0.83 0.30 119.26 123.01 1xrn h ALA 109 Ca -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xrn h ALA 109 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xrn h ALA 109 CO 0.09 -0.01 -0.01 1.25 0.00 0.00 0.00 179.25 180.57 1xrn h LEU 110 N 0.72 -0.03 -0.86 0.00 5.85 -0.50 -2.10 115.31 118.39 1xrn h LEU 110 Ca 0.48 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1xrn h LEU 110 Cb 0.62 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1xrn h LEU 110 CO -0.33 0.06 0.49 0.00 -0.34 0.00 0.00 178.44 178.32 1xrn h ALA 111 N 0.84 1.27 -0.17 1.25 0.00 0.18 -0.54 119.26 122.08 1xrn h ALA 111 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xrn h ALA 111 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xrn h ALA 111 CO 0.01 0.06 0.11 -0.07 0.00 0.00 0.00 179.25 179.36 1xrn h LEU 112 N 0.78 0.18 -0.74 0.00 3.38 -0.20 -0.77 115.31 117.93 1xrn h LEU 112 Ca 0.43 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.47 1xrn h LEU 112 Cb 0.47 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1xrn h LEU 112 CO -0.28 0.13 0.43 0.00 0.09 0.00 0.00 178.44 178.81 1xrn h ALA 113 N 1.07 1.01 -0.86 1.53 0.00 -0.58 -1.13 119.26 120.30 1xrn h ALA 113 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xrn h ALA 113 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1xrn h ALA 113 CO -0.03 0.13 0.56 -0.92 0.00 0.00 0.00 179.25 179.00 1xrn h TYR 114 N 0.79 1.07 -0.19 0.00 3.20 -0.49 -2.25 116.97 119.10 1xrn h TYR 114 Ca 0.33 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.16 1xrn h TYR 114 Cb 0.19 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1xrn h TYR 114 CO -0.06 0.66 -0.19 0.00 -1.64 0.00 0.00 178.16 176.94 1xrn h ALA 115 N 1.32 1.34 -0.30 1.82 0.00 -0.09 0.98 119.26 124.32 1xrn h ALA 115 Ca 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xrn h ALA 115 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xrn h ALA 115 CO -0.08 0.45 0.06 0.28 0.00 0.00 0.00 179.25 179.97 1xrn h VAL 116 N 0.30 1.15 0.00 0.00 2.07 -0.63 -2.72 116.25 116.41 1xrn h VAL 116 Ca 0.05 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1xrn h VAL 116 Cb 0.51 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1xrn h VAL 116 CO 0.03 0.19 -1.43 1.17 0.02 0.00 0.00 177.57 177.56 1xrn n LYS 117 N -4.36 0.99 -2.51 1.57 4.81 -1.02 -4.78 118.16 112.86 1xrn n LYS 117 Ca 0.01 -0.05 -0.17 0.00 -0.87 0.00 0.00 58.31 57.23 1xrn n LYS 117 Cb 0.18 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.05 1xrn n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xrn n TYR 118 N -1.94 2.29 0.51 5.64 4.01 0.34 -4.79 117.16 123.21 1xrn n TYR 118 Ca -0.05 -2.73 0.13 0.00 -0.16 0.00 0.00 57.90 55.09 1xrn n TYR 118 Cb 0.38 -0.24 0.31 0.00 -0.31 0.00 0.00 39.34 39.47 1xrn n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xrn h GLN 119 N 2.65 0.00 0.00 -0.72 3.07 -1.61 -3.03 115.11 115.47 1xrn h GLN 119 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1xrn h GLN 119 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1xrn h GLN 119 CO 0.63 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.30 1xrn n ASP 120 N -2.44 0.00 -0.77 0.06 8.00 -1.26 -2.32 116.55 117.81 1xrn n ASP 120 Ca 0.05 -0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.56 1xrn n ASP 120 Cb 0.46 -0.29 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 1xrn n ASP 120 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1xrn n HIS 121 N -1.29 0.13 -4.99 1.24 8.25 -1.15 -4.97 115.22 112.45 1xrn n HIS 121 Ca 0.12 -0.09 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1xrn n HIS 121 Cb 0.21 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.16 1xrn n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xrn s LEU 122 N -1.41 2.06 0.11 2.41 1.43 -0.98 -2.87 118.68 119.44 1xrn s LEU 122 Ca 0.24 -0.41 0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1xrn s LEU 122 Cb 0.16 -1.09 -0.11 0.00 0.03 0.00 0.00 46.19 45.17 1xrn s LEU 122 CO 0.23 0.25 1.05 0.11 0.23 0.00 0.00 176.35 178.22 1xrn h LYS 123 N 5.47 0.00 -2.62 1.70 1.57 -0.97 -3.46 116.57 118.25 1xrn h LYS 123 Ca -0.40 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1xrn h LYS 123 Cb 1.14 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.32 1xrn h LYS 123 CO 0.47 0.51 0.36 0.20 -0.57 0.00 0.00 179.45 180.42 1xrn s GLY 124 N -4.74 -0.51 -0.03 3.86 0.00 -1.25 -4.27 107.32 100.38 1xrn s GLY 124 Ca -0.01 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.45 1xrn s GLY 124 CO 0.80 0.23 -0.16 -2.27 0.00 0.00 0.00 173.10 171.70 1xrn s LEU 125 N -2.64 1.92 -0.10 0.66 2.96 0.47 -1.65 118.68 120.30 1xrn s LEU 125 Ca 0.04 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1xrn s LEU 125 Cb -0.01 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.83 1xrn s LEU 125 CO -0.10 0.15 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.32 1xrn s ILE 126 N -0.04 1.38 -0.22 6.68 1.01 0.20 -0.73 121.20 129.47 1xrn s ILE 126 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xrn s ILE 126 Cb -0.10 -1.28 0.05 0.00 0.01 0.00 0.00 42.46 41.15 1xrn s ILE 126 CO 0.01 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.59 1xrn s VAL 127 N 1.06 1.68 -0.26 2.92 1.01 -0.32 -1.47 120.40 125.02 1xrn s VAL 127 Ca -0.06 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1xrn s VAL 127 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1xrn s VAL 127 CO -0.02 0.06 0.06 -0.44 0.00 0.00 0.00 175.10 174.76 1xrn s SER 128 N 1.35 5.03 -1.08 3.32 0.01 0.25 -0.55 113.70 122.04 1xrn s SER 128 Ca -0.04 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 1xrn s SER 128 Cb -0.18 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.20 1xrn s SER 128 CO -0.07 -0.07 0.26 0.61 0.41 0.00 0.00 173.24 174.38 1xrn n GLY 129 N 4.90 -0.49 0.00 3.44 0.00 -0.44 -1.17 105.19 111.42 1xrn n GLY 129 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xrn n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrn n GLY 130 N -0.97 -0.07 3.46 -0.02 0.00 -1.26 -2.80 105.19 103.53 1xrn n GLY 130 Ca -0.06 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 1xrn n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xrn s LEU 131 N 0.00 -0.54 0.00 0.99 2.34 -1.26 -4.75 118.68 115.46 1xrn s LEU 131 Ca 0.00 0.17 0.02 0.00 0.06 0.00 0.00 54.13 54.38 1xrn s LEU 131 Cb 0.00 2.44 -0.02 0.00 -0.56 0.00 0.00 46.19 48.06 1xrn s LEU 131 CO 0.00 -0.80 0.21 -1.54 -1.06 0.00 0.00 176.35 173.16 1xrn n SER 132 N -0.04 0.36 -3.61 1.48 3.41 -1.26 -3.48 113.62 110.48 1xrn n SER 132 Ca -0.16 -0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 1xrn n SER 132 Cb 0.62 0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 65.25 1xrn n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xrn s SER 133 N -1.01 0.17 0.13 4.04 0.15 -1.26 0.09 113.70 116.01 1xrn s SER 133 Ca 0.01 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 1xrn s SER 133 Cb 0.02 0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 1xrn s SER 133 CO 0.09 -0.25 1.54 0.58 1.20 0.00 0.00 173.24 176.40 1xrn h VAL 134 N 6.23 1.27 -0.44 4.45 2.07 -1.40 -2.59 116.25 125.84 1xrn h VAL 134 Ca -0.16 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1xrn h VAL 134 Cb 1.12 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 1xrn h VAL 134 CO 0.16 0.39 -0.03 -0.65 0.02 0.00 0.00 177.57 177.46 1xrn h PRO 135 N 0.59 0.08 -0.33 1.57 0.11 -1.71 0.13 132.00 132.43 1xrn h PRO 135 Ca 0.11 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.26 1xrn h PRO 135 Cb 0.59 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 1xrn h PRO 135 CO 0.04 0.05 0.06 1.25 -0.21 0.00 0.00 178.00 179.18 1xrn h LEU 136 N 0.08 -0.01 -1.41 2.35 5.85 -1.91 0.16 115.31 120.42 1xrn h LEU 136 Ca 0.22 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.12 1xrn h LEU 136 Cb 0.32 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1xrn h LEU 136 CO -0.39 0.03 0.52 0.74 -0.34 0.00 0.00 178.44 179.00 1xrn h THR 137 N 0.17 0.88 -0.06 1.05 2.02 -0.78 0.11 112.91 116.30 1xrn h THR 137 Ca 0.16 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1xrn h THR 137 Cb 0.18 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xrn h THR 137 CO -0.22 0.11 -0.13 0.58 0.37 0.00 0.00 175.52 176.24 1xrn h VAL 138 N 0.63 1.42 -0.72 3.16 2.07 0.97 0.64 116.25 124.41 1xrn h VAL 138 Ca 0.38 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.50 1xrn h VAL 138 Cb 0.61 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1xrn h VAL 138 CO -0.15 0.40 0.43 0.50 0.02 0.00 0.00 177.57 178.78 1xrn h LYS 139 N -0.30 0.78 -0.24 1.57 3.64 0.16 0.43 116.57 122.61 1xrn h LYS 139 Ca 0.00 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1xrn h LYS 139 Cb 0.72 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1xrn h LYS 139 CO 0.03 0.51 -0.53 0.93 -2.27 0.00 0.00 179.45 178.12 1xrn h GLU 140 N 0.80 0.70 -0.09 1.90 4.39 -0.83 -3.01 114.58 118.44 1xrn h GLU 140 Ca 0.31 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1xrn h GLU 140 Cb 0.14 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1xrn h GLU 140 CO -0.16 1.05 -0.34 0.52 -1.16 0.00 0.00 179.01 178.92 1xrn h MET 141 N 0.54 0.17 -0.22 2.33 2.86 -0.25 -2.56 114.93 117.80 1xrn h MET 141 Ca 0.01 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1xrn h MET 141 Cb 1.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1xrn h MET 141 CO 0.11 0.50 -0.30 -0.91 1.06 0.00 0.00 176.91 177.37 1xrn h ASN 142 N 0.15 0.45 -0.36 1.22 -0.26 -0.85 -2.62 115.58 113.30 1xrn h ASN 142 Ca 0.02 -0.16 -0.08 0.00 -0.56 0.00 0.00 56.30 55.52 1xrn h ASN 142 Cb 0.68 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 1xrn h ASN 142 CO 0.05 0.73 -0.04 -0.09 -1.06 0.00 0.00 177.43 177.02 1xrn h ARG 143 N 0.38 0.76 -0.26 0.81 2.43 -1.34 -2.20 114.38 114.97 1xrn h ARG 143 Ca 0.05 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1xrn h ARG 143 Cb 0.72 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1xrn h ARG 143 CO 0.06 0.80 0.08 -0.07 -1.51 0.00 0.00 179.97 179.32 1xrn h LEU 144 N 0.71 0.38 -0.67 3.80 3.38 -1.18 -1.95 115.31 119.79 1xrn h LEU 144 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xrn h LEU 144 Cb 0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1xrn h LEU 144 CO 0.03 0.50 0.42 0.40 0.09 0.00 0.00 178.44 179.87 1xrn h ILE 145 N 0.25 1.18 -0.65 1.22 2.04 -1.30 -1.55 117.51 118.71 1xrn h ILE 145 Ca 0.08 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1xrn h ILE 145 Cb 0.25 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1xrn h ILE 145 CO -0.00 0.19 0.34 0.44 0.00 0.00 0.00 178.15 179.11 1xrn h ASP 146 N 0.90 0.80 1.01 1.72 3.32 -1.26 -1.33 116.42 121.58 1xrn h ASP 146 Ca 0.24 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1xrn h ASP 146 Cb -0.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1xrn h ASP 146 CO -0.05 0.66 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.64 1xrn h GLU 147 N 0.90 0.00 -7.20 3.56 5.08 -0.73 -3.45 114.58 112.75 1xrn h GLU 147 Ca 0.23 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.05 1xrn h GLU 147 Cb 0.05 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.48 1xrn h GLU 147 CO -0.03 0.16 0.36 -0.51 -1.00 0.00 0.00 179.01 177.99 1xrn s LEU 148 N -6.60 3.18 0.02 1.33 1.02 -0.50 -4.85 118.68 112.29 1xrn s LEU 148 Ca 0.01 2.41 -0.32 0.00 0.02 0.00 0.00 54.13 56.25 1xrn s LEU 148 Cb 0.10 -4.59 -0.11 0.00 0.02 0.00 0.00 46.19 41.60 1xrn s LEU 148 CO 0.62 -2.63 1.86 -0.81 0.02 0.00 0.00 176.35 175.41 1xrn n PRO 149 N -3.17 2.50 -0.09 1.29 -0.04 -1.26 -4.66 135.00 129.58 1xrn n PRO 149 Ca 0.14 0.91 0.03 0.00 -0.04 0.00 0.00 63.50 64.54 1xrn n PRO 149 Cb 0.50 -2.79 0.06 0.00 -0.04 0.00 0.00 33.50 31.22 1xrn n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xrn n ALA 150 N 6.26 0.10 -0.26 0.55 0.00 -1.26 -1.34 120.51 124.55 1xrn n ALA 150 Ca 0.20 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1xrn n ALA 150 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1xrn n ALA 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xrn n LYS 151 N -4.23 0.00 0.24 0.00 4.81 -1.26 0.50 118.16 118.21 1xrn n LYS 151 Ca 0.05 0.79 0.08 0.00 -0.87 0.00 0.00 58.31 58.36 1xrn n LYS 151 Cb 0.16 -1.37 0.59 0.00 0.02 0.00 0.00 35.03 34.43 1xrn n LYS 151 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xrn h TYR 152 N 0.00 0.00 0.05 5.64 -1.99 -1.57 -2.87 116.97 116.22 1xrn h TYR 152 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xrn h TYR 152 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1xrn h TYR 152 CO -0.56 0.17 -0.02 -0.09 -0.00 0.00 0.00 178.16 177.65 1xrn h ARG 153 N 0.00 -0.06 -0.88 4.88 2.43 -0.82 -2.46 114.38 117.45 1xrn h ARG 153 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1xrn h ARG 153 Cb 0.34 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1xrn h ARG 153 CO 0.02 0.15 0.56 -0.44 -1.51 0.00 0.00 179.97 178.75 1xrn h ASP 154 N -0.27 0.89 -0.26 -3.80 3.32 0.26 -2.24 116.42 114.31 1xrn h ASP 154 Ca -0.01 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xrn h ASP 154 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1xrn h ASP 154 CO 0.01 0.57 0.15 0.00 -1.72 0.00 0.00 179.24 178.25 1xrn h ALA 155 N 1.41 0.33 -0.20 3.45 0.00 -1.43 0.21 119.26 123.03 1xrn h ALA 155 Ca 0.38 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1xrn h ALA 155 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xrn h ALA 155 CO -0.16 -0.24 -0.05 0.82 0.00 0.00 0.00 179.25 179.62 1xrn h ILE 156 N 0.31 0.79 -0.13 0.00 2.04 -0.94 -1.92 117.51 117.67 1xrn h ILE 156 Ca 0.10 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.81 1xrn h ILE 156 Cb 0.00 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1xrn h ILE 156 CO -0.05 0.00 -0.57 0.11 0.00 0.00 0.00 178.15 177.63 1xrn h LYS 157 N -0.01 0.41 0.00 2.37 1.57 -1.22 -1.15 116.57 118.54 1xrn h LYS 157 Ca 0.10 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xrn h LYS 157 Cb 0.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xrn h LYS 157 CO -0.21 0.87 0.00 1.17 -0.57 0.00 0.00 179.45 180.71 1xrn n LYS 158 N -3.92 0.00 0.23 3.15 4.81 0.73 -2.77 118.16 120.39 1xrn n LYS 158 Ca -0.03 0.29 0.07 0.00 -0.87 0.00 0.00 58.31 57.77 1xrn n LYS 158 Cb 0.61 -1.09 0.56 0.00 0.02 0.00 0.00 35.03 35.13 1xrn n LYS 158 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xrn h TYR 159 N 0.00 0.00 -0.81 5.64 -1.99 -1.53 -2.60 116.97 115.68 1xrn h TYR 159 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xrn h TYR 159 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1xrn h TYR 159 CO 0.08 0.16 0.51 0.78 -0.00 0.00 0.00 178.16 179.68 1xrn h GLY 160 N 0.54 1.16 2.00 3.88 0.00 -1.29 -1.95 103.07 107.40 1xrn h GLY 160 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1xrn h GLY 160 CO 0.02 0.45 -0.71 1.76 0.00 0.00 0.00 176.54 178.06 1xrn h SER 161 N 1.10 0.00 -0.09 0.19 0.02 -1.29 -2.90 113.55 110.58 1xrn h SER 161 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1xrn h SER 161 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xrn h SER 161 CO -0.06 0.71 0.00 -1.54 -1.14 0.00 0.00 176.83 174.80 1xrn n SER 162 N -3.64 0.53 -3.71 3.07 3.41 -0.89 -4.92 113.62 107.47 1xrn n SER 162 Ca -0.01 -1.90 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 1xrn n SER 162 Cb 0.70 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.63 1xrn n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrn n GLY 163 N 0.71 -1.02 2.56 5.00 0.00 -0.80 -4.96 105.19 106.67 1xrn n GLY 163 Ca 0.06 0.46 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 1xrn n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrn s SER 164 N -3.39 0.99 0.00 1.61 1.04 -0.82 -4.97 113.70 108.16 1xrn s SER 164 Ca 0.40 -2.35 0.14 0.00 0.48 0.00 0.00 55.95 54.62 1xrn s SER 164 Cb -0.16 0.25 0.41 0.00 0.10 0.00 0.00 66.02 66.62 1xrn s SER 164 CO 0.87 -0.19 1.34 -1.22 0.98 0.00 0.00 173.24 175.02 1xrn n TYR 165 N 3.35 0.57 0.08 5.02 4.02 -1.26 -3.76 117.16 125.16 1xrn n TYR 165 Ca 0.21 -0.28 0.11 0.00 -0.01 0.00 0.00 57.90 57.93 1xrn n TYR 165 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 1xrn n TYR 165 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1xrn n GLU 166 N 0.77 0.62 -1.76 -0.72 0.00 -1.26 -4.68 120.64 113.61 1xrn n GLU 166 Ca 0.15 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.95 1xrn n GLU 166 Cb 0.37 -1.76 0.01 0.00 0.00 0.00 0.00 31.44 30.06 1xrn n GLU 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xrn n ASN 167 N -2.58 3.55 -0.20 -1.84 5.15 -1.25 -4.90 115.26 113.19 1xrn n ASN 167 Ca -0.01 1.19 -0.08 0.00 -0.60 0.00 0.00 54.58 55.08 1xrn n ASN 167 Cb 0.56 -1.60 0.02 0.00 -0.53 0.00 0.00 39.78 38.22 1xrn n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xrn h PRO 168 N 2.68 0.86 -0.98 1.20 0.13 -1.94 -2.26 132.00 131.68 1xrn h PRO 168 Ca -0.50 -0.18 0.06 0.00 -0.87 0.00 0.00 66.00 64.50 1xrn h PRO 168 Cb 1.26 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1xrn h PRO 168 CO 0.63 0.78 0.63 0.93 -0.23 0.00 0.00 178.00 180.74 1xrn h GLU 169 N 0.77 1.13 -0.22 0.86 5.08 -1.99 0.73 114.58 120.94 1xrn h GLU 169 Ca 0.18 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1xrn h GLU 169 Cb 0.27 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xrn h GLU 169 CO -0.01 0.75 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.82 1xrn h TYR 170 N 1.16 0.43 -0.71 4.33 3.20 -1.82 -2.94 116.97 120.62 1xrn h TYR 170 Ca 0.42 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1xrn h TYR 170 Cb 0.14 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1xrn h TYR 170 CO -0.01 0.58 0.37 1.96 -1.64 0.00 0.00 178.16 179.43 1xrn h GLN 171 N 0.15 1.01 -0.95 1.82 4.20 -0.88 -0.70 115.11 119.75 1xrn h GLN 171 Ca 0.06 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1xrn h GLN 171 Cb 0.42 -0.19 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1xrn h GLN 171 CO 0.01 0.77 0.61 1.49 -0.67 0.00 0.00 178.83 181.04 1xrn h GLU 172 N 0.99 0.93 -0.15 1.46 4.81 -0.81 0.56 114.58 122.37 1xrn h GLU 172 Ca 0.25 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1xrn h GLU 172 Cb 0.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1xrn h GLU 172 CO -0.04 0.62 -0.16 0.00 -0.73 0.00 0.00 179.01 178.71 1xrn h ALA 173 N 1.54 0.22 -0.89 2.92 0.00 -1.22 -1.15 119.26 120.68 1xrn h ALA 173 Ca 0.45 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1xrn h ALA 173 Cb 0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1xrn h ALA 173 CO -0.21 0.11 0.55 0.28 0.00 0.00 0.00 179.25 179.98 1xrn h VAL 174 N -0.01 1.03 -0.40 0.00 2.07 0.06 0.92 116.25 119.92 1xrn h VAL 174 Ca 0.02 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1xrn h VAL 174 Cb 0.69 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1xrn h VAL 174 CO 0.04 0.18 0.10 -1.13 0.02 0.00 0.00 177.57 176.78 1xrn h ASN 175 N 0.99 0.60 0.61 0.57 -0.73 0.21 -1.31 115.58 116.52 1xrn h ASN 175 Ca 0.39 -0.23 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 1xrn h ASN 175 Cb 0.21 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1xrn h ASN 175 CO -0.19 0.67 -0.31 0.22 -0.37 0.00 0.00 177.43 177.45 1xrn h TYR 176 N 0.50 -0.79 -0.43 0.67 3.20 -0.20 -0.46 116.97 119.46 1xrn h TYR 176 Ca 0.12 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.07 1xrn h TYR 176 Cb 0.30 0.27 -0.09 0.00 1.54 0.00 0.00 36.73 38.75 1xrn h TYR 176 CO 0.02 -0.49 -0.20 0.35 -1.64 0.00 0.00 178.16 176.20 1xrn h PHE 177 N -0.84 -0.51 -0.44 -3.82 3.04 -0.82 -1.00 116.94 112.55 1xrn h PHE 177 Ca -0.08 0.05 0.07 0.00 3.98 0.00 0.00 57.97 61.98 1xrn h PHE 177 Cb 0.65 0.29 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 1xrn h PHE 177 CO -0.04 -0.28 0.11 1.88 -2.02 0.00 0.00 178.31 177.96 1xrn h TYR 178 N -0.12 0.19 0.00 0.41 -1.99 -1.04 0.11 116.97 114.53 1xrn h TYR 178 Ca 0.21 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1xrn h TYR 178 Cb 0.44 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1xrn h TYR 178 CO -0.45 0.04 0.00 0.72 -0.00 0.00 0.00 178.16 178.46 1xrn n HIS 179 N -5.07 0.00 0.00 4.88 8.25 -0.20 -0.18 115.22 122.90 1xrn n HIS 179 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1xrn n HIS 179 Cb 0.20 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1xrn n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xrn n GLN 180 N -0.14 2.27 0.00 -0.41 -0.06 0.15 -4.59 117.38 114.59 1xrn n GLN 180 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1xrn n GLN 180 Cb 0.07 -0.60 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 1xrn n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xrn n HIS 181 N -0.60 0.00 -0.10 3.69 8.25 0.04 -4.75 115.22 121.75 1xrn n HIS 181 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1xrn n HIS 181 Cb 0.06 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 1xrn n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xrn n LEU 182 N -0.32 1.72 -3.43 2.41 7.94 0.75 -1.23 117.00 124.85 1xrn n LEU 182 Ca 0.00 0.29 -0.11 0.00 -1.11 0.00 0.00 56.01 55.09 1xrn n LEU 182 Cb 0.04 -0.69 -0.09 0.00 0.53 0.00 0.00 43.42 43.20 1xrn n LEU 182 CO 0.00 0.15 -0.07 -0.22 -1.11 0.00 0.00 177.39 176.14 1xrn s LEU 183 N -7.48 -0.53 -1.37 -1.96 0.20 -0.70 -0.81 118.68 106.04 1xrn s LEU 183 Ca -0.30 0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.66 1xrn s LEU 183 Cb 0.09 1.00 0.10 0.00 -0.43 0.00 0.00 46.19 46.95 1xrn s LEU 183 CO 0.40 -0.29 2.03 0.54 -0.29 0.00 0.00 176.35 178.73 1xrn n ARG 184 N 5.36 3.22 -3.52 1.98 1.74 -1.26 -4.35 116.66 119.84 1xrn n ARG 184 Ca -0.05 -3.08 -0.08 0.00 -0.77 0.00 0.00 57.85 53.88 1xrn n ARG 184 Cb 0.50 -3.13 -0.02 0.00 -1.02 0.00 0.00 32.46 28.79 1xrn n ARG 184 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrn s SER 185 N 2.19 -0.36 0.55 0.55 0.01 -1.26 -5.01 113.70 110.37 1xrn s SER 185 Ca 0.44 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.75 1xrn s SER 185 Cb 0.11 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1xrn s SER 185 CO -0.04 -0.66 0.71 1.21 0.41 0.00 0.00 173.24 174.87 1xrn n GLU 186 N -0.27 0.63 -3.59 12.44 4.07 -1.26 -4.66 120.64 128.01 1xrn n GLU 186 Ca -0.09 -3.04 -0.23 0.00 -0.06 0.00 0.00 57.16 53.74 1xrn n GLU 186 Cb 0.62 -0.14 0.05 0.00 -0.06 0.00 0.00 31.44 31.91 1xrn n GLU 186 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1xrn n ASP 187 N -2.27 -3.80 -4.76 4.31 2.03 -1.26 -4.89 116.55 105.92 1xrn n ASP 187 Ca 0.13 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 54.17 1xrn n ASP 187 Cb 0.58 -4.12 -0.01 0.00 -0.72 0.00 0.00 41.12 36.85 1xrn n ASP 187 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1xrn n TRP 188 N -4.00 2.89 -1.98 -0.67 7.02 -1.26 -4.95 117.44 114.49 1xrn n TRP 188 Ca -0.18 0.34 -0.39 0.00 -1.02 0.00 0.00 57.50 56.25 1xrn n TRP 188 Cb 0.64 -2.57 0.00 0.00 -2.42 0.00 0.00 31.31 26.96 1xrn n TRP 188 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1xrn s PRO 189 N -1.18 3.82 0.20 -0.99 0.04 -1.26 -4.88 135.00 130.75 1xrn s PRO 189 Ca 0.59 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.71 1xrn s PRO 189 Cb -0.49 -2.67 0.23 0.00 0.04 0.00 0.00 34.50 31.60 1xrn s PRO 189 CO 0.55 -0.63 1.66 -1.35 0.04 0.00 0.00 177.00 177.27 1xrn h PRO 190 N 2.46 0.07 -1.07 0.56 0.11 -1.99 -1.52 132.00 130.62 1xrn h PRO 190 Ca -0.50 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.91 1xrn h PRO 190 Cb 1.26 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 1xrn h PRO 190 CO 0.62 0.05 0.66 0.93 -0.21 0.00 0.00 178.00 180.04 1xrn h GLU 191 N 0.07 0.35 -0.10 1.05 3.07 -1.91 0.52 114.58 117.63 1xrn h GLU 191 Ca 0.28 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.96 1xrn h GLU 191 Cb 0.44 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1xrn h GLU 191 CO -0.51 0.23 -0.55 0.28 -1.40 0.00 0.00 179.01 177.07 1xrn h VAL 192 N 0.36 1.36 0.00 3.13 2.07 -1.54 -2.46 116.25 119.17 1xrn h VAL 192 Ca 0.68 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1xrn h VAL 192 Cb 1.68 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1xrn h VAL 192 CO -0.44 0.56 -0.26 -0.07 0.02 0.00 0.00 177.57 177.39 1xrn h LEU 193 N 0.16 0.00 -0.30 2.57 3.38 -0.53 -1.87 115.31 118.73 1xrn h LEU 193 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1xrn h LEU 193 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xrn h LEU 193 CO 0.11 0.26 -0.53 0.50 0.09 0.00 0.00 178.44 178.87 1xrn h LYS 194 N 0.00 0.88 -0.30 1.13 1.63 -0.03 -2.32 116.57 117.57 1xrn h LYS 194 Ca -0.00 -0.55 -0.10 0.00 -0.85 0.00 0.00 60.65 59.14 1xrn h LYS 194 Cb 0.60 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1xrn h LYS 194 CO 0.03 1.19 -0.22 0.77 -3.45 0.00 0.00 179.45 177.78 1xrn h SER 195 N 0.68 0.71 0.66 4.20 0.02 -0.95 -1.77 113.55 117.08 1xrn h SER 195 Ca 0.02 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1xrn h SER 195 Cb 1.14 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1xrn h SER 195 CO 0.12 1.00 0.00 -0.07 -1.14 0.00 0.00 176.83 176.74 1xrn h LEU 196 N 0.42 0.00 0.14 5.07 3.38 -1.35 -1.96 115.31 121.01 1xrn h LEU 196 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 1xrn h LEU 196 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xrn h LEU 196 CO 0.06 0.00 -1.48 -0.08 0.09 0.00 0.00 178.44 177.03 1xrn h GLU 197 N 0.00 0.30 -0.37 1.13 4.81 -1.11 -3.18 114.58 116.16 1xrn h GLU 197 Ca 0.00 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1xrn h GLU 197 Cb 0.33 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1xrn h GLU 197 CO 0.00 1.19 -0.09 1.88 -0.73 0.00 0.00 179.01 181.26 1xrn h TYR 198 N 0.08 0.69 0.00 0.92 0.05 -0.59 -2.42 116.97 115.70 1xrn h TYR 198 Ca -0.23 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1xrn h TYR 198 Cb 2.03 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.59 1xrn h TYR 198 CO 0.07 0.71 0.00 0.00 -1.05 0.00 0.00 178.16 177.89 1xrn h ALA 199 N 1.32 1.00 -0.00 3.88 0.00 -1.37 -2.07 119.26 122.01 1xrn h ALA 199 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xrn h ALA 199 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xrn h ALA 199 CO 0.03 0.00 -0.45 -1.91 0.00 0.00 0.00 179.25 176.92 1xrn n GLU 200 N -2.91 0.48 -0.09 0.00 2.13 -0.97 -4.20 120.64 115.08 1xrn n GLU 200 Ca 0.03 -0.31 -0.13 0.00 0.66 0.00 0.00 57.16 57.41 1xrn n GLU 200 Cb 0.43 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 1xrn n GLU 200 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xrn n ARG 201 N -0.99 0.54 0.00 5.31 1.74 -0.95 -5.02 116.66 117.29 1xrn n ARG 201 Ca 0.09 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1xrn n ARG 201 Cb 0.35 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1xrn n ARG 201 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xrn n ARG 202 N -3.02 0.45 -0.01 5.56 5.12 -0.80 -5.05 116.66 118.91 1xrn n ARG 202 Ca -0.33 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.59 1xrn n ARG 202 Cb 0.86 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.15 1xrn n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xrn n ASN 203 N -1.33 4.46 -0.34 0.55 3.02 -1.26 -4.75 115.26 115.60 1xrn n ASN 203 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.78 1xrn n ASN 203 Cb 0.00 0.68 0.46 0.00 -0.61 0.00 0.00 39.78 40.31 1xrn n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xrn h VAL 204 N 0.00 0.36 -0.36 2.41 2.07 -1.88 0.13 116.25 118.98 1xrn h VAL 204 Ca -0.05 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1xrn h VAL 204 Cb 0.91 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xrn h VAL 204 CO 0.00 0.07 -0.24 0.22 0.02 0.00 0.00 177.57 177.64 1xrn h TYR 205 N 0.38 0.81 -0.00 1.57 3.20 -1.74 -0.19 116.97 121.00 1xrn h TYR 205 Ca 0.71 -0.19 -0.16 0.00 3.14 0.00 0.00 58.73 62.24 1xrn h TYR 205 Cb 1.59 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1xrn h TYR 205 CO -0.01 0.89 -0.74 -0.09 -1.64 0.00 0.00 178.16 176.57 1xrn h ARG 206 N 0.62 0.01 0.00 1.82 2.43 -1.19 0.17 114.38 118.24 1xrn h ARG 206 Ca 0.08 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 1xrn h ARG 206 Cb 0.74 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1xrn h ARG 206 CO 0.06 0.74 -1.09 -0.89 -1.51 0.00 0.00 179.97 177.28 1xrn n ILE 207 N -3.67 1.49 0.12 1.20 5.41 -0.81 -4.12 119.36 118.97 1xrn n ILE 207 Ca -0.01 0.04 -0.02 0.00 1.00 0.00 0.00 62.75 63.76 1xrn n ILE 207 Cb 0.72 -2.17 0.09 0.00 -0.71 0.00 0.00 39.64 37.57 1xrn n ILE 207 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1xrn h MET 208 N -1.00 0.00 0.00 0.38 2.86 -1.19 -2.31 114.93 113.67 1xrn h MET 208 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1xrn h MET 208 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1xrn h MET 208 CO -0.14 0.70 0.00 -1.71 1.06 0.00 0.00 176.91 176.82 1xrn n ASN 209 N -3.62 0.00 0.00 1.22 5.15 -0.90 -2.72 115.26 114.39 1xrn n ASN 209 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1xrn n ASN 209 Cb 0.71 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.96 1xrn n ASN 209 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xrn n GLY 210 N 3.50 -0.04 0.00 8.20 0.00 0.56 0.13 105.19 117.55 1xrn n GLY 210 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1xrn n GLY 210 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xrn n PRO 211 N 0.00 0.00 0.00 1.61 -0.02 -1.25 -4.37 135.00 130.97 1xrn n PRO 211 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1xrn n PRO 211 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1xrn n PRO 211 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1xrn n ASN 212 N -0.63 0.51 0.15 2.55 0.23 -1.26 -4.99 115.26 111.82 1xrn n ASN 212 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1xrn n ASN 212 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1xrn n ASN 212 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1xrn h GLN 213 N 0.00 -0.39 -2.00 -3.83 1.08 -1.98 -3.32 115.11 104.66 1xrn h GLN 213 Ca 0.00 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1xrn h GLN 213 Cb 0.00 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1xrn h GLN 213 CO 0.00 -0.26 -0.20 1.97 -0.95 0.00 0.00 178.83 179.39 1xrn n PHE 214 N -3.84 0.00 -2.80 2.96 1.16 -1.26 -4.00 117.46 109.68 1xrn n PHE 214 Ca -0.05 -1.25 -0.10 0.00 -1.87 0.00 0.00 57.45 54.17 1xrn n PHE 214 Cb 0.16 -1.07 0.07 0.00 -1.61 0.00 0.00 39.48 37.04 1xrn n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xrn n THR 215 N 2.02 0.03 -2.50 1.97 -1.04 -1.25 -5.02 114.28 108.49 1xrn n THR 215 Ca 0.22 -2.15 -0.42 0.00 -2.04 0.00 0.00 64.05 59.66 1xrn n THR 215 Cb 0.71 1.04 -0.00 0.00 -1.82 0.00 0.00 70.33 70.26 1xrn n THR 215 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1xrn n ILE 216 N 0.15 3.81 -1.88 12.58 5.41 -1.26 -3.93 119.36 134.24 1xrn n ILE 216 Ca 0.08 -3.93 -0.20 0.00 1.00 0.00 0.00 62.75 59.70 1xrn n ILE 216 Cb 0.73 -2.35 0.06 0.00 -0.71 0.00 0.00 39.64 37.36 1xrn n ILE 216 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1xrn n THR 217 N 6.40 2.59 0.00 1.39 -2.24 -0.99 -4.47 114.28 116.95 1xrn n THR 217 Ca 0.49 -3.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 1xrn n THR 217 Cb 0.46 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1xrn n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrn n GLY 218 N -0.80 0.98 1.22 3.38 0.00 0.36 -4.85 105.19 105.49 1xrn n GLY 218 Ca 0.42 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1xrn n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrn n THR 219 N 0.00 2.46 -0.60 2.61 -2.24 -0.87 -4.35 114.28 111.29 1xrn n THR 219 Ca 0.00 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 1xrn n THR 219 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1xrn n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xrn n ILE 220 N -0.22 0.00 0.14 2.28 -5.35 -1.20 -4.82 119.36 110.18 1xrn n ILE 220 Ca 0.24 -0.15 0.07 0.00 -0.27 0.00 0.00 62.75 62.64 1xrn n ILE 220 Cb 1.01 1.60 0.38 0.00 -1.74 0.00 0.00 39.64 40.89 1xrn n ILE 220 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1xrn n LYS 221 N -0.04 0.09 -0.05 6.28 2.85 -1.26 -0.40 118.16 125.64 1xrn n LYS 221 Ca 0.00 0.56 0.03 0.00 -1.05 0.00 0.00 58.31 57.86 1xrn n LYS 221 Cb 0.15 -1.97 0.06 0.00 -0.65 0.00 0.00 35.03 32.62 1xrn n LYS 221 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1xrn n ASP 222 N -2.01 2.03 -4.77 -5.58 10.43 -1.26 -3.76 116.55 111.63 1xrn n ASP 222 Ca -0.01 -1.61 -0.40 0.00 2.57 0.00 0.00 54.79 55.35 1xrn n ASP 222 Cb 0.18 -0.06 -0.01 0.00 1.84 0.00 0.00 41.12 43.07 1xrn n ASP 222 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1xrn s TRP 223 N -0.77 2.83 -0.30 1.24 -0.00 0.47 -4.88 118.94 117.53 1xrn s TRP 223 Ca 0.11 1.39 -0.13 0.00 -0.00 0.00 0.00 56.10 57.47 1xrn s TRP 223 Cb 0.07 -3.70 0.18 0.00 -0.00 0.00 0.00 33.47 30.02 1xrn s TRP 223 CO 0.09 -2.14 1.08 0.34 -0.00 0.00 0.00 176.95 176.33 1xrn s ASP 224 N -0.65 -0.33 -0.31 5.86 3.68 -1.26 -1.13 116.67 122.53 1xrn s ASP 224 Ca 0.55 0.06 0.09 0.00 2.13 0.00 0.00 52.55 55.38 1xrn s ASP 224 Cb -0.39 1.22 0.59 0.00 -1.45 0.00 0.00 42.92 42.88 1xrn s ASP 224 CO 0.51 -0.06 1.62 2.30 0.13 0.00 0.00 175.17 179.66 1xrn n ILE 225 N 5.14 2.72 -0.15 4.11 -5.35 0.11 -4.71 119.36 121.23 1xrn n ILE 225 Ca 0.07 -2.25 -0.03 0.00 -0.27 0.00 0.00 62.75 60.27 1xrn n ILE 225 Cb 0.57 -0.35 0.06 0.00 -1.74 0.00 0.00 39.64 38.18 1xrn n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xrn h THR 226 N 1.39 0.70 0.00 7.28 2.02 -1.95 -0.74 112.91 121.61 1xrn h THR 226 Ca 0.29 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1xrn h THR 226 Cb 2.01 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1xrn h THR 226 CO 0.58 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.60 1xrn n ASP 227 N -5.15 1.58 0.00 4.18 5.68 -1.26 -3.32 116.55 118.26 1xrn n ASP 227 Ca 0.05 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1xrn n ASP 227 Cb 0.24 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1xrn n ASP 227 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xrn n LYS 228 N 0.37 0.00 0.26 0.11 5.02 -0.36 -4.83 118.16 118.74 1xrn n LYS 228 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1xrn n LYS 228 Cb 0.29 -0.50 0.90 0.00 -0.02 0.00 0.00 35.03 35.70 1xrn n LYS 228 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1xrn h ILE 229 N 0.00 0.00 0.00 -0.18 3.07 -1.35 -0.57 117.51 118.48 1xrn h ILE 229 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1xrn h ILE 229 Cb 0.00 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 37.28 1xrn h ILE 229 CO 0.00 0.00 0.03 -1.20 -1.05 0.00 0.00 178.15 175.93 1xrn n SER 230 N -2.69 0.54 0.03 2.16 7.64 -1.26 -0.90 113.62 119.15 1xrn n SER 230 Ca -0.02 0.75 0.14 0.00 1.01 0.00 0.00 58.87 60.74 1xrn n SER 230 Cb 0.10 -0.81 0.55 0.00 -1.01 0.00 0.00 64.21 63.05 1xrn n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xrn n ALA 231 N -1.76 2.31 -2.39 -0.43 0.00 -0.22 -4.74 120.51 113.28 1xrn n ALA 231 Ca -0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1xrn n ALA 231 Cb 0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 1xrn n ALA 231 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xrn s ILE 232 N -3.03 4.21 -0.08 0.00 1.01 -0.07 -4.88 121.20 118.35 1xrn s ILE 232 Ca 0.13 1.44 0.14 0.00 0.00 0.00 0.00 60.65 62.36 1xrn s ILE 232 Cb 0.17 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.46 1xrn s ILE 232 CO 0.55 -0.18 0.19 0.29 0.00 0.00 0.00 174.94 175.79 1xrn n LYS 233 N 6.76 1.10 -1.19 2.79 4.01 -1.26 -4.42 118.16 125.96 1xrn n LYS 233 Ca 0.14 -0.07 -0.34 0.00 -0.51 0.00 0.00 58.31 57.54 1xrn n LYS 233 Cb 0.45 -1.35 0.12 0.00 -0.51 0.00 0.00 35.03 33.74 1xrn n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xrn s ILE 234 N -2.68 2.08 0.24 -0.18 -4.36 -1.26 -4.89 121.20 110.14 1xrn s ILE 234 Ca -0.06 0.03 -0.31 0.00 -0.26 0.00 0.00 60.65 60.05 1xrn s ILE 234 Cb 0.07 -2.49 -0.13 0.00 1.25 0.00 0.00 42.46 41.15 1xrn s ILE 234 CO 0.59 -0.02 1.42 -2.65 0.24 0.00 0.00 174.94 174.52 1xrn n PRO 235 N -3.16 2.07 -4.40 0.37 -0.02 -1.26 -4.76 135.00 123.84 1xrn n PRO 235 Ca 0.14 0.74 -0.24 0.00 -2.02 0.00 0.00 63.50 62.12 1xrn n PRO 235 Cb 0.50 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 1xrn n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xrn s THR 236 N -0.02 0.96 -0.37 3.45 2.01 -1.26 -0.39 115.64 120.02 1xrn s THR 236 Ca 0.68 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1xrn s THR 236 Cb -0.64 -0.91 0.07 0.00 0.01 0.00 0.00 72.50 71.03 1xrn s THR 236 CO 0.49 0.32 0.15 -0.22 -0.69 0.00 0.00 174.62 174.68 1xrn s LEU 237 N 0.85 4.72 -0.32 4.42 2.96 0.09 0.54 118.68 131.95 1xrn s LEU 237 Ca -0.12 -1.51 -0.12 0.00 -0.22 0.00 0.00 54.13 52.16 1xrn s LEU 237 Cb -0.15 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1xrn s LEU 237 CO 0.02 -0.43 0.22 -0.63 -1.32 0.00 0.00 176.35 174.20 1xrn s ILE 238 N 1.31 5.28 0.24 6.68 1.01 0.05 -1.17 121.20 134.59 1xrn s ILE 238 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.69 1xrn s ILE 238 Cb -0.21 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1xrn s ILE 238 CO -0.00 0.10 -0.01 0.42 0.00 0.00 0.00 174.94 175.44 1xrn s THR 239 N 1.74 3.49 -0.26 2.92 -4.23 0.29 -0.83 115.64 118.74 1xrn s THR 239 Ca 0.06 -1.78 -0.26 0.00 -1.18 0.00 0.00 61.69 58.54 1xrn s THR 239 Cb -0.17 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 70.97 1xrn s THR 239 CO 0.11 -0.29 1.03 0.54 -0.54 0.00 0.00 174.62 175.46 1xrn s VAL 240 N -2.12 0.00 0.54 2.29 0.11 -0.67 -1.33 120.40 119.22 1xrn s VAL 240 Ca 0.30 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 1xrn s VAL 240 Cb -0.07 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1xrn s VAL 240 CO 0.19 0.00 1.01 -0.83 -3.33 0.00 0.00 175.10 172.14 1xrn s GLY 241 N -0.00 2.08 0.28 6.54 0.00 -1.08 -0.96 107.32 114.18 1xrn s GLY 241 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 1xrn s GLY 241 CO -0.05 0.54 1.81 -2.09 0.00 0.00 0.00 173.10 173.31 1xrn h GLU 242 N 0.73 0.78 -0.37 2.90 4.81 0.91 -2.58 114.58 121.76 1xrn h GLU 242 Ca -0.47 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 1xrn h GLU 242 Cb 1.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1xrn h GLU 242 CO 0.60 0.74 0.03 0.66 -0.73 0.00 0.00 179.01 180.31 1xrn n TYR 243 N -4.26 1.28 -1.72 0.92 4.01 0.04 -4.85 117.16 112.58 1xrn n TYR 243 Ca 0.03 -1.04 -0.43 0.00 -0.16 0.00 0.00 57.90 56.30 1xrn n TYR 243 Cb 0.25 -0.42 -0.02 0.00 -0.31 0.00 0.00 39.34 38.85 1xrn n TYR 243 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xrn n ASP 244 N -0.49 3.45 0.29 7.72 4.64 -0.97 -3.99 116.55 127.19 1xrn n ASP 244 Ca 0.27 1.15 0.13 0.00 -1.38 0.00 0.00 54.79 54.95 1xrn n ASP 244 Cb 1.02 -1.53 0.83 0.00 -1.04 0.00 0.00 41.12 40.39 1xrn n ASP 244 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1xrn h GLU 245 N 4.51 0.00 -2.80 -0.67 4.11 -1.45 -2.29 114.58 115.98 1xrn h GLU 245 Ca -0.46 0.00 -0.78 0.00 0.07 0.00 0.00 59.36 58.19 1xrn h GLU 245 Cb 1.24 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.19 1xrn h GLU 245 CO 0.77 0.00 0.58 0.28 0.07 0.00 0.00 179.01 180.72 1xrn n VAL 246 N -4.06 4.91 -0.07 -1.06 0.31 -1.26 -4.56 118.33 112.53 1xrn n VAL 246 Ca -0.03 -5.84 -0.02 0.00 -0.01 0.00 0.00 64.34 58.43 1xrn n VAL 246 Cb 0.09 -2.08 -0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1xrn n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1xrn n THR 247 N 1.23 0.07 0.26 2.52 -2.24 -0.86 -4.64 114.28 110.62 1xrn n THR 247 Ca 0.27 -0.03 0.16 0.00 -2.27 0.00 0.00 64.05 62.18 1xrn n THR 247 Cb 0.34 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.38 1xrn n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xrn h PRO 248 N 0.03 0.00 -0.76 -0.78 0.13 -1.84 -1.23 132.00 127.55 1xrn h PRO 248 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1xrn h PRO 248 Cb 0.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 1xrn h PRO 248 CO 0.03 0.00 0.41 -0.97 -0.23 0.00 0.00 178.00 177.23 1xrn h ASN 249 N 0.00 0.97 -0.44 1.44 -0.00 -1.97 -0.21 115.58 115.37 1xrn h ASN 249 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.13 1xrn h ASN 249 Cb 0.08 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.13 1xrn h ASN 249 CO 0.00 0.80 0.05 0.58 -0.00 0.00 0.00 177.43 178.86 1xrn h VAL 250 N 1.06 1.24 0.00 2.57 2.07 -1.49 -1.49 116.25 120.21 1xrn h VAL 250 Ca 0.27 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1xrn h VAL 250 Cb 0.06 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xrn h VAL 250 CO -0.04 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.70 1xrn h ALA 251 N 1.29 1.45 -0.28 1.67 0.00 -1.26 -2.22 119.26 119.91 1xrn h ALA 251 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xrn h ALA 251 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xrn h ALA 251 CO 0.01 0.23 -0.13 -0.09 0.00 0.00 0.00 179.25 179.27 1xrn h ARG 252 N 0.00 0.58 -0.99 0.00 2.43 -0.02 -1.02 114.38 115.35 1xrn h ARG 252 Ca -0.00 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1xrn h ARG 252 Cb 0.39 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1xrn h ARG 252 CO 0.02 0.82 0.64 0.28 -1.51 0.00 0.00 179.97 180.23 1xrn h VAL 253 N 0.32 1.09 -0.28 0.20 2.07 -1.05 0.39 116.25 118.99 1xrn h VAL 253 Ca 0.06 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 67.01 1xrn h VAL 253 Cb 0.65 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1xrn h VAL 253 CO 0.04 0.21 -0.53 0.40 0.02 0.00 0.00 177.57 177.72 1xrn h ILE 254 N 1.16 1.28 -0.55 4.57 2.04 -1.37 -3.19 117.51 121.46 1xrn h ILE 254 Ca 0.43 -1.72 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 1xrn h ILE 254 Cb 0.17 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1xrn h ILE 254 CO -0.17 0.56 -0.05 -0.74 0.00 0.00 0.00 178.15 177.75 1xrn h HIS 255 N 0.62 1.08 -0.99 1.37 2.76 -0.27 -3.13 115.15 116.59 1xrn h HIS 255 Ca 0.02 -0.19 0.07 0.00 -2.20 0.00 0.00 60.37 58.07 1xrn h HIS 255 Cb 1.11 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.73 1xrn h HIS 255 CO 0.06 0.98 0.64 1.49 -1.30 0.00 0.00 177.93 179.80 1xrn h GLU 256 N 0.89 1.10 0.00 5.26 4.81 -0.24 -3.32 114.58 123.08 1xrn h GLU 256 Ca 0.15 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xrn h GLU 256 Cb 0.59 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xrn h GLU 256 CO 0.04 0.73 -0.00 0.87 -0.73 0.00 0.00 179.01 179.91 1xrn h LYS 257 N 1.13 -0.00 -5.71 1.92 6.56 -1.58 -3.44 116.57 115.45 1xrn h LYS 257 Ca 0.43 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 59.42 1xrn h LYS 257 Cb 0.21 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 1xrn h LYS 257 CO -0.18 -0.00 1.53 -0.89 -2.06 0.00 0.00 179.45 177.85 1xrn n ILE 258 N -2.10 0.08 -2.28 1.86 5.41 -1.19 -4.83 119.36 116.31 1xrn n ILE 258 Ca -0.00 -0.30 -0.39 0.00 1.00 0.00 0.00 62.75 63.05 1xrn n ILE 258 Cb 0.00 -1.59 -0.02 0.00 -0.71 0.00 0.00 39.64 37.32 1xrn n ILE 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xrn s ALA 259 N 8.60 3.28 0.00 -1.39 0.00 -1.26 -2.77 121.76 128.22 1xrn s ALA 259 Ca 1.13 1.02 0.00 0.00 0.00 0.00 0.00 51.96 54.12 1xrn s ALA 259 Cb -0.83 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1xrn s ALA 259 CO 0.45 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1xrn n GLY 260 N 0.77 0.78 3.79 0.00 0.00 -1.26 -4.90 105.19 104.38 1xrn n GLY 260 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1xrn n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrn s SER 261 N -2.77 6.74 0.33 1.61 1.04 -1.11 -4.62 113.70 114.91 1xrn s SER 261 Ca 0.00 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1xrn s SER 261 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1xrn s SER 261 CO 0.00 -0.50 0.55 -1.61 0.98 0.00 0.00 173.24 172.65 1xrn s GLU 262 N -2.71 3.53 -0.27 4.02 2.02 0.19 -4.97 118.70 120.51 1xrn s GLU 262 Ca 0.60 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.33 1xrn s GLU 262 Cb -0.19 -2.66 0.11 0.00 0.10 0.00 0.00 34.13 31.49 1xrn s GLU 262 CO 0.24 0.17 0.19 -1.17 0.02 0.00 0.00 175.26 174.71 1xrn s LEU 263 N -4.07 0.17 -0.20 1.80 2.96 -1.25 -0.77 118.68 117.32 1xrn s LEU 263 Ca 0.41 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1xrn s LEU 263 Cb -0.10 0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 1xrn s LEU 263 CO 0.34 -0.40 -0.00 -1.00 -1.32 0.00 0.00 176.35 173.97 1xrn s HIS 264 N 2.22 3.04 -0.41 5.38 3.76 -0.01 -5.01 115.29 124.26 1xrn s HIS 264 Ca 0.08 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.41 1xrn s HIS 264 Cb -0.15 -2.09 0.06 0.00 1.11 0.00 0.00 32.58 31.51 1xrn s HIS 264 CO -0.30 -0.25 0.25 0.08 -0.85 0.00 0.00 174.74 173.67 1xrn s VAL 265 N 1.03 4.41 -0.40 -0.90 1.01 -1.26 -1.68 120.40 122.61 1xrn s VAL 265 Ca 0.02 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 1xrn s VAL 265 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1xrn s VAL 265 CO 0.02 -0.43 1.66 -0.36 0.00 0.00 0.00 175.10 175.98 1xrn s PHE 266 N 1.48 2.01 0.38 5.22 0.40 -0.14 -4.83 117.98 122.51 1xrn s PHE 266 Ca 0.03 0.65 -0.27 0.00 -0.60 0.00 0.00 56.93 56.73 1xrn s PHE 266 Cb -0.22 -4.20 -0.09 0.00 0.51 0.00 0.00 43.02 39.02 1xrn s PHE 266 CO 0.04 -2.51 1.30 1.03 0.70 0.00 0.00 175.22 175.78 1xrn s ARG 267 N 5.57 4.09 0.00 0.44 1.81 -1.26 -0.99 118.95 128.60 1xrn s ARG 267 Ca 0.71 2.17 0.00 0.00 -1.72 0.00 0.00 55.73 56.88 1xrn s ARG 267 Cb -0.18 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.47 1xrn s ARG 267 CO 0.31 -0.40 0.00 -0.25 -0.68 0.00 0.00 175.30 174.29 1xrn n ASP 268 N 0.33 -3.36 -4.60 0.23 10.43 -1.26 -4.88 116.55 113.44 1xrn n ASP 268 Ca 0.03 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.13 1xrn n ASP 268 Cb 0.43 -1.85 -0.08 0.00 1.84 0.00 0.00 41.12 41.46 1xrn n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xrn n SER 270 N -0.32 0.00 -0.05 0.00 3.41 -1.26 -0.64 113.62 114.76 1xrn n SER 270 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.38 1xrn n SER 270 Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1xrn n SER 270 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xrn n HIS 271 N 0.00 0.73 -2.91 7.33 -0.00 -0.92 -2.63 115.22 116.82 1xrn n HIS 271 Ca 0.00 0.21 -0.43 0.00 0.46 0.00 0.00 57.72 57.96 1xrn n HIS 271 Cb 0.00 -1.12 0.01 0.00 -0.12 0.00 0.00 29.99 28.77 1xrn n HIS 271 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1xrn n LEU 272 N -3.14 6.61 0.21 0.27 4.77 0.01 -4.77 117.00 120.95 1xrn n LEU 272 Ca -0.29 -5.21 0.06 0.00 -0.03 0.00 0.00 56.01 50.54 1xrn n LEU 272 Cb 1.06 -1.27 0.44 0.00 -2.33 0.00 0.00 43.42 41.33 1xrn n LEU 272 CO 0.41 1.74 0.77 0.71 -1.33 0.00 0.00 177.39 179.69 1xrn h THR 273 N 3.25 0.97 0.00 -5.08 1.35 -1.87 -2.57 112.91 108.97 1xrn h THR 273 Ca 0.26 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1xrn h THR 273 Cb 0.57 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1xrn h THR 273 CO 1.33 0.30 0.00 1.15 -0.25 0.00 0.00 175.52 178.06 1xrn n MET 274 N -3.81 0.06 -0.01 4.72 0.00 -1.26 -0.83 117.12 115.98 1xrn n MET 274 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 57.70 57.96 1xrn n MET 274 Cb 0.39 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.10 1xrn n MET 274 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1xrn n TRP 275 N -1.34 0.00 0.13 3.17 7.02 -0.99 -3.67 117.44 121.76 1xrn n TRP 275 Ca 0.02 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.52 1xrn n TRP 275 Cb 0.05 -0.10 0.02 0.00 -2.42 0.00 0.00 31.31 28.86 1xrn n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xrn h GLU 276 N 0.00 0.00 -1.04 -0.99 5.08 -1.20 -3.36 114.58 113.08 1xrn h GLU 276 Ca -0.05 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.95 1xrn h GLU 276 Cb 0.99 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.92 1xrn h GLU 276 CO 0.00 0.56 -0.95 -3.47 -1.00 0.00 0.00 179.01 174.15 1xrn n ASP 277 N -3.25 0.12 -0.31 1.42 2.03 -0.01 -4.99 116.55 111.56 1xrn n ASP 277 Ca 0.02 -2.93 0.16 0.00 0.52 0.00 0.00 54.79 52.55 1xrn n ASP 277 Cb 0.75 0.06 0.32 0.00 -0.72 0.00 0.00 41.12 41.54 1xrn n ASP 277 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xrn h ARG 278 N 2.84 0.11 -0.17 -0.67 2.43 -1.66 0.34 114.38 117.61 1xrn h ARG 278 Ca -0.06 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 1xrn h ARG 278 Cb 1.11 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1xrn h ARG 278 CO 0.35 0.07 -0.65 0.93 -1.51 0.00 0.00 179.97 179.17 1xrn h GLU 279 N 0.11 0.74 -0.37 0.20 3.07 -1.92 -1.76 114.58 114.65 1xrn h GLU 279 Ca 0.60 -0.57 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 1xrn h GLU 279 Cb 1.29 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.29 1xrn h GLU 279 CO -0.76 1.18 -0.09 0.78 -1.40 0.00 0.00 179.01 178.72 1xrn h GLY 280 N 0.45 0.78 0.75 -3.84 0.00 -1.41 -1.59 103.07 98.20 1xrn h GLY 280 Ca -0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1xrn h GLY 280 CO 0.14 0.58 -0.07 -1.82 0.00 0.00 0.00 176.54 175.37 1xrn h TYR 281 N 0.52 -0.17 -0.57 5.60 3.20 -0.47 -1.92 116.97 123.15 1xrn h TYR 281 Ca 0.09 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1xrn h TYR 281 Cb 0.60 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1xrn h TYR 281 CO 0.05 0.10 0.38 -0.91 -1.64 0.00 0.00 178.16 176.14 1xrn h ASN 282 N -0.44 0.59 -0.07 -2.11 -0.26 -1.34 -1.99 115.58 109.96 1xrn h ASN 282 Ca -0.02 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1xrn h ASN 282 Cb 0.35 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1xrn h ASN 282 CO 0.03 0.41 -0.08 0.50 -1.06 0.00 0.00 177.43 177.23 1xrn h LYS 283 N 0.68 0.17 0.36 0.81 3.64 -1.18 -2.12 116.57 118.93 1xrn h LYS 283 Ca 0.23 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xrn h LYS 283 Cb 0.06 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1xrn h LYS 283 CO -0.06 0.63 -0.47 1.25 -2.27 0.00 0.00 179.45 178.54 1xrn h LEU 284 N -0.27 -1.31 -1.37 5.20 5.85 -0.96 0.12 115.31 122.57 1xrn h LEU 284 Ca 0.01 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1xrn h LEU 284 Cb 0.60 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1xrn h LEU 284 CO 0.02 -0.59 0.46 -0.07 -0.34 0.00 0.00 178.44 177.92 1xrn h LEU 285 N -0.86 0.70 -0.53 2.25 4.07 -1.46 -0.13 115.31 119.34 1xrn h LEU 285 Ca -0.03 -0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1xrn h LEU 285 Cb 0.79 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1xrn h LEU 285 CO -0.13 0.47 -0.18 0.77 -1.08 0.00 0.00 178.44 178.30 1xrn h SER 286 N 0.81 1.02 0.05 -0.43 4.64 -0.93 -1.70 113.55 117.02 1xrn h SER 286 Ca 0.29 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1xrn h SER 286 Cb 0.13 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1xrn h SER 286 CO -0.09 1.17 -0.03 0.44 -0.87 0.00 0.00 176.83 177.45 1xrn h ASP 287 N 0.87 -0.06 -0.23 4.97 3.45 0.03 -1.85 116.42 123.61 1xrn h ASP 287 Ca 0.12 -0.33 0.06 0.00 0.43 0.00 0.00 57.03 57.31 1xrn h ASP 287 Cb 0.75 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.47 1xrn h ASP 287 CO 0.06 0.31 -0.20 0.15 -1.57 0.00 0.00 179.24 177.99 1xrn h PHE 288 N -0.44 -0.52 0.42 4.55 3.57 -1.02 -0.73 116.94 122.78 1xrn h PHE 288 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1xrn h PHE 288 Cb 0.39 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1xrn h PHE 288 CO 0.05 -0.28 -0.35 0.82 -2.23 0.00 0.00 178.31 176.33 1xrn h ILE 289 N -0.20 0.29 -0.08 1.41 2.04 -1.34 -2.56 117.51 117.07 1xrn h ILE 289 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1xrn h ILE 289 Cb 0.41 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1xrn h ILE 289 CO -0.35 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 177.82 1xrn h LEU 290 N -0.77 0.00 -0.67 1.44 3.38 -1.09 0.16 115.31 117.75 1xrn h LEU 290 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xrn h LEU 290 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xrn h LEU 290 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1xrn n LYS 291 N -3.84 1.45 -1.16 1.13 5.02 -0.30 -3.86 118.16 116.60 1xrn n LYS 291 Ca -0.01 -0.67 0.03 0.00 -2.02 0.00 0.00 58.31 55.65 1xrn n LYS 291 Cb 0.19 -1.37 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1xrn n LYS 291 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xrn n HIS 292 N -0.12 0.00 0.02 2.13 8.25 0.03 -5.07 115.22 120.46 1xrn n HIS 292 Ca 0.16 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1xrn n HIS 292 Cb 0.23 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.22 1xrn n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26