#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sni s GLN 2 N 0.00 2.96 0.01 0.00 0.74 -1.20 -3.33 119.66 118.84 2sni s GLN 2 Ca 0.00 -0.51 0.08 0.00 0.05 0.00 0.00 55.36 54.98 2sni s GLN 2 Cb 0.00 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 2sni s GLN 2 CO 0.00 0.65 -0.24 -1.12 -0.55 0.00 0.00 175.29 174.03 2sni s SER 3 N -1.52 2.81 -0.41 6.67 0.01 0.18 -4.98 113.70 116.45 2sni s SER 3 Ca 0.20 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.84 2sni s SER 3 Cb -0.12 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 65.87 2sni s SER 3 CO 0.11 0.26 0.29 -0.69 0.41 0.00 0.00 173.24 173.61 2sni s VAL 4 N -0.66 4.96 0.55 3.43 1.01 -1.26 -3.07 120.40 125.36 2sni s VAL 4 Ca 0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 2sni s VAL 4 Cb -0.09 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 2sni s VAL 4 CO 0.00 -0.36 0.85 -2.65 0.00 0.00 0.00 175.10 172.94 2sni n PRO 5 N 5.10 0.89 -0.18 2.72 -0.02 -1.26 -4.87 135.00 137.38 2sni n PRO 5 Ca -0.11 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2sni n PRO 5 Cb 0.46 -2.00 0.23 0.00 -0.02 0.00 0.00 33.50 32.17 2sni n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2sni h TYR 6 N 0.67 0.89 -0.97 6.00 -0.00 -1.94 -2.48 116.97 119.15 2sni h TYR 6 Ca -0.47 -0.02 0.11 0.00 0.00 0.00 0.00 58.73 58.36 2sni h TYR 6 Cb 1.37 -0.29 -0.08 0.00 0.00 0.00 0.00 36.73 37.73 2sni h TYR 6 CO 0.37 0.63 0.61 0.78 -0.00 0.00 0.00 178.16 180.54 2sni h GLY 7 N 0.98 1.58 1.01 0.10 0.00 -1.95 0.35 103.07 105.14 2sni h GLY 7 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2sni h GLY 7 CO -0.04 0.17 0.37 -2.08 0.00 0.00 0.00 176.54 174.96 2sni h VAL 8 N 0.97 1.22 0.00 4.60 2.07 -1.79 -2.63 116.25 120.69 2sni h VAL 8 Ca 0.48 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 2sni h VAL 8 Cb 0.45 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2sni h VAL 8 CO -0.26 0.25 -0.88 0.77 0.02 0.00 0.00 177.57 177.48 2sni h SER 9 N 0.98 0.00 -0.29 0.57 4.64 -1.37 -2.94 113.55 115.14 2sni h SER 9 Ca 0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 2sni h SER 9 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2sni h SER 9 CO -0.04 0.49 0.08 -0.61 -0.87 0.00 0.00 176.83 175.88 2sni h GLN 10 N 0.00 0.54 -0.02 4.77 4.15 0.02 -2.25 115.11 122.33 2sni h GLN 10 Ca -0.07 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2sni h GLN 10 Cb 1.43 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.03 2sni h GLN 10 CO 0.05 0.51 -0.03 0.44 -1.93 0.00 0.00 178.83 177.87 2sni n ILE 11 N -4.33 0.00 -1.76 2.39 -5.35 -1.05 -4.96 119.36 104.30 2sni n ILE 11 Ca 0.02 -0.28 -0.04 0.00 -0.27 0.00 0.00 62.75 62.18 2sni n ILE 11 Cb 0.19 0.67 -0.01 0.00 -1.74 0.00 0.00 39.64 38.76 2sni n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2sni n LYS 12 N 0.30 -0.28 -0.23 6.28 4.76 -0.85 -1.41 118.16 126.73 2sni n LYS 12 Ca 0.17 0.32 -0.06 0.00 -2.87 0.00 0.00 58.31 55.88 2sni n LYS 12 Cb 0.40 -4.01 0.05 0.00 -1.84 0.00 0.00 35.03 29.62 2sni n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2sni h ALA 13 N 0.12 0.83 -0.78 7.82 0.00 -1.76 -3.03 119.26 122.47 2sni h ALA 13 Ca -0.08 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2sni h ALA 13 Cb 0.80 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2sni h ALA 13 CO 0.10 0.28 0.52 -1.35 0.00 0.00 0.00 179.25 178.80 2sni h PRO 14 N 0.89 0.47 -0.40 0.00 0.11 -1.91 0.23 132.00 131.39 2sni h PRO 14 Ca 0.24 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.35 2sni h PRO 14 Cb -0.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2sni h PRO 14 CO -0.05 0.31 0.27 0.00 -0.21 0.00 0.00 178.00 178.32 2sni h ALA 15 N 1.63 1.85 0.16 -0.75 0.00 -1.93 -1.57 119.26 118.66 2sni h ALA 15 Ca 0.38 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 2sni h ALA 15 Cb 0.79 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.50 2sni h ALA 15 CO -0.14 0.10 -1.08 -0.07 0.00 0.00 0.00 179.25 178.06 2sni h LEU 16 N 0.42 0.68 -0.83 0.00 3.38 -0.70 -3.19 115.31 115.07 2sni h LEU 16 Ca 0.16 -0.90 0.09 0.00 0.09 0.00 0.00 57.88 57.33 2sni h LEU 16 Cb 0.13 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 2sni h LEU 16 CO -0.04 1.52 0.48 0.45 0.09 0.00 0.00 178.44 180.94 2sni h HIS 17 N -0.06 0.87 0.00 1.13 3.86 -0.99 -0.38 115.15 119.59 2sni h HIS 17 Ca -0.18 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2sni h HIS 17 Cb 1.82 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 2sni h HIS 17 CO 0.16 0.36 -0.23 0.66 0.86 0.00 0.00 177.93 179.74 2sni h SER 18 N 0.81 0.00 0.45 2.45 4.64 -1.36 -0.97 113.55 119.57 2sni h SER 18 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2sni h SER 18 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2sni h SER 18 CO -0.24 0.23 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 2sni n GLN 19 N -3.99 0.55 -0.23 4.77 6.02 -0.65 -4.91 117.38 118.93 2sni n GLN 19 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2sni n GLN 19 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2sni n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2sni n GLY 20 N 1.31 0.87 3.34 1.08 0.00 -0.37 -5.07 105.19 106.36 2sni n GLY 20 Ca 0.13 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2sni n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2sni s TYR 21 N -2.00 3.28 -0.02 1.61 2.02 -0.24 -4.91 117.35 117.08 2sni s TYR 21 Ca 0.00 -1.14 0.03 0.00 -0.37 0.00 0.00 57.07 55.59 2sni s TYR 21 Cb 0.00 -2.90 0.05 0.00 -0.40 0.00 0.00 41.96 38.71 2sni s TYR 21 CO 0.00 -0.77 0.94 0.25 -1.57 0.00 0.00 175.55 174.40 2sni n THR 22 N 5.05 0.94 -1.49 -0.71 -2.24 -1.26 -2.84 114.28 111.73 2sni n THR 22 Ca -0.11 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 2sni n THR 22 Cb 0.44 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2sni n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2sni n GLY 23 N -0.56 0.56 3.76 3.38 0.00 -1.26 -1.11 105.19 109.96 2sni n GLY 23 Ca 0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2sni n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2sni n SER 24 N 1.72 3.84 -1.31 1.61 7.64 -1.25 -2.41 113.62 123.45 2sni n SER 24 Ca 0.00 1.18 -0.16 0.00 1.01 0.00 0.00 58.87 60.90 2sni n SER 24 Cb 0.32 -1.60 -0.06 0.00 -1.01 0.00 0.00 64.21 61.85 2sni n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2sni n ASN 25 N 1.51 -4.92 -4.60 6.43 3.02 -1.26 -4.77 115.26 110.67 2sni n ASN 25 Ca 0.06 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.61 2sni n ASN 25 Cb 0.38 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.58 2sni n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2sni s VAL 26 N -2.62 4.63 -0.35 2.41 1.01 -1.01 -4.94 120.40 119.52 2sni s VAL 26 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2sni s VAL 26 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2sni s VAL 26 CO 0.00 0.45 0.36 -0.54 0.00 0.00 0.00 175.10 175.37 2sni s LYS 27 N 0.48 3.50 -0.17 2.72 1.02 -1.26 0.54 119.74 126.58 2sni s LYS 27 Ca 0.02 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2sni s LYS 27 Cb -0.13 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 2sni s LYS 27 CO 0.01 -0.55 -0.15 0.08 -0.92 0.00 0.00 175.35 173.81 2sni s VAL 28 N 2.00 2.55 -0.27 3.17 1.01 0.62 -0.03 120.40 129.45 2sni s VAL 28 Ca 0.11 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 2sni s VAL 28 Cb -0.17 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2sni s VAL 28 CO 0.12 0.51 0.25 0.00 0.00 0.00 0.00 175.10 175.98 2sni s ALA 29 N 1.05 3.55 -0.55 5.51 0.00 0.37 -1.07 121.76 130.62 2sni s ALA 29 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2sni s ALA 29 Cb -0.15 -2.53 0.10 0.00 0.00 0.00 0.00 23.12 20.54 2sni s ALA 29 CO -0.04 -0.52 0.61 0.08 0.00 0.00 0.00 175.76 175.89 2sni s VAL 30 N 1.73 4.95 -0.60 0.00 1.01 -0.22 -1.14 120.40 126.12 2sni s VAL 30 Ca 0.10 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 2sni s VAL 30 Cb -0.16 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 31.89 2sni s VAL 30 CO 0.10 -0.96 0.95 -0.63 0.00 0.00 0.00 175.10 174.55 2sni s ILE 31 N 2.34 4.36 0.00 2.22 1.01 -0.49 -1.78 121.20 128.86 2sni s ILE 31 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2sni s ILE 31 Cb -0.25 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.62 2sni s ILE 31 CO 0.07 -1.28 0.00 -0.67 0.00 0.00 0.00 174.94 173.05 2sni n ASP 32 N 7.57 0.72 -0.81 3.58 2.03 0.52 -4.27 116.55 125.89 2sni n ASP 32 Ca -0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.34 2sni n ASP 32 Cb 0.46 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.02 2sni n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2sni n SER 33 N 0.00 2.28 0.00 1.67 3.41 -1.26 0.23 113.62 119.95 2sni n SER 33 Ca 0.00 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2sni n SER 33 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2sni n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2sni n GLY 34 N 0.68 0.36 2.82 5.00 0.00 -1.26 -4.42 105.19 108.36 2sni n GLY 34 Ca 0.11 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 2sni n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2sni s ILE 35 N -1.09 -0.06 -0.83 -0.61 1.01 -0.90 -3.38 121.20 115.35 2sni s ILE 35 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 2sni s ILE 35 Cb 0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 2sni s ILE 35 CO 0.00 0.09 1.89 -0.62 0.00 0.00 0.00 174.94 176.30 2sni s ASP 36 N 1.19 5.25 0.08 3.58 2.15 -1.26 -3.82 116.67 123.84 2sni s ASP 36 Ca -0.08 -0.43 0.13 0.00 0.43 0.00 0.00 52.55 52.59 2sni s ASP 36 Cb -0.12 -2.55 0.58 0.00 -0.30 0.00 0.00 42.92 40.52 2sni s ASP 36 CO -0.04 -2.57 1.40 -1.54 -0.17 0.00 0.00 175.17 172.25 2sni n SER 37 N 13.34 0.18 -0.12 -0.34 3.41 -1.21 -1.85 113.62 127.03 2sni n SER 37 Ca 0.34 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.65 2sni n SER 37 Cb 0.49 -0.59 0.60 0.00 -0.26 0.00 0.00 64.21 64.44 2sni n SER 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2sni n SER 38 N -1.72 0.49 -4.70 4.04 3.41 -1.26 -4.76 113.62 109.12 2sni n SER 38 Ca 0.02 -0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 2sni n SER 38 Cb 0.12 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2sni n SER 38 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2sni s HIS 39 N -2.48 2.78 0.61 7.33 2.46 -0.77 -4.87 115.29 120.34 2sni s HIS 39 Ca 0.28 0.50 0.33 0.00 0.47 0.00 0.00 55.06 56.65 2sni s HIS 39 Cb 0.20 -3.93 1.97 0.00 -0.13 0.00 0.00 32.58 30.69 2sni s HIS 39 CO 0.48 -3.57 2.28 -1.35 -2.47 0.00 0.00 174.74 170.11 2sni h PRO 40 N 7.49 0.00 -0.56 2.88 0.11 -1.91 -2.11 132.00 137.90 2sni h PRO 40 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2sni h PRO 40 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2sni h PRO 40 CO 0.92 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.24 2sni n ASP 41 N -3.66 5.12 -4.11 -2.05 2.03 -1.26 -4.93 116.55 107.68 2sni n ASP 41 Ca -0.03 -2.75 -0.15 0.00 0.52 0.00 0.00 54.79 52.38 2sni n ASP 41 Cb 0.08 -0.62 -0.12 0.00 -0.72 0.00 0.00 41.12 39.75 2sni n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2sni s LEU 42 N -2.41 2.27 -0.24 -2.67 1.43 -0.80 -0.86 118.68 115.40 2sni s LEU 42 Ca 0.51 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2sni s LEU 42 Cb 0.37 -0.32 0.08 0.00 0.03 0.00 0.00 46.19 46.35 2sni s LEU 42 CO 0.18 -0.16 0.05 -0.75 0.23 0.00 0.00 176.35 175.91 2sni s LYS 43 N -1.73 0.74 -0.15 1.70 2.47 -1.26 -4.74 119.74 116.76 2sni s LYS 43 Ca -0.06 -0.71 -0.19 0.00 -1.56 0.00 0.00 55.97 53.45 2sni s LYS 43 Cb -0.09 -2.06 -0.04 0.00 -1.46 0.00 0.00 37.83 34.18 2sni s LYS 43 CO 0.01 -0.78 0.54 0.08 0.16 0.00 0.00 175.35 175.36 2sni s VAL 44 N 1.75 5.12 0.09 4.02 1.01 -1.26 -4.31 120.40 126.82 2sni s VAL 44 Ca 0.03 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.13 2sni s VAL 44 Cb -0.17 -3.87 -0.22 0.00 0.00 0.00 0.00 36.38 32.12 2sni s VAL 44 CO -0.16 0.24 1.18 0.00 0.00 0.00 0.00 175.10 176.36 2sni h ALA 45 N 7.07 0.39 0.00 5.51 0.00 0.39 -3.48 119.26 129.14 2sni h ALA 45 Ca -0.37 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.55 2sni h ALA 45 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2sni h ALA 45 CO 0.75 1.27 0.00 0.41 0.00 0.00 0.00 179.25 181.69 2sni n GLY 46 N 1.40 -0.53 0.00 0.00 0.00 -1.18 -5.01 105.19 99.86 2sni n GLY 46 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2sni n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sni n GLY 47 N 0.00 -1.92 3.34 -0.02 0.00 -1.26 -0.79 105.19 104.54 2sni n GLY 47 Ca 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 2sni n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sni s ALA 48 N -1.69 -1.12 -0.13 4.61 0.00 -0.45 -4.91 121.76 118.06 2sni s ALA 48 Ca 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 2sni s ALA 48 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2sni s ALA 48 CO 0.00 -0.28 0.00 0.45 0.00 0.00 0.00 175.76 175.93 2sni s SER 49 N -0.96 5.20 0.00 0.00 0.15 -1.26 -2.17 113.70 114.65 2sni s SER 49 Ca -0.10 0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.74 2sni s SER 49 Cb -0.03 -1.70 0.07 0.00 -1.71 0.00 0.00 66.02 62.65 2sni s SER 49 CO 0.05 0.26 0.91 0.23 1.20 0.00 0.00 173.24 175.89 2sni n MET 50 N 2.93 1.35 -3.04 5.44 2.81 0.78 -4.91 117.12 122.47 2sni n MET 50 Ca -0.18 -1.16 -0.42 0.00 -1.81 0.00 0.00 57.70 54.13 2sni n MET 50 Cb 0.53 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.72 2sni n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2sni s VAL 51 N -1.43 4.79 0.26 2.03 1.01 -1.24 -4.83 120.40 121.00 2sni s VAL 51 Ca 0.15 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 2sni s VAL 51 Cb 0.12 -4.18 0.27 0.00 0.00 0.00 0.00 36.38 32.59 2sni s VAL 51 CO 0.25 -0.47 1.67 -0.65 0.00 0.00 0.00 175.10 175.89 2sni h PRO 52 N 8.64 0.23 -0.01 2.72 0.11 -1.97 -1.26 132.00 140.45 2sni h PRO 52 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2sni h PRO 52 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2sni h PRO 52 CO 0.89 0.15 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.55 2sni n SER 53 N -5.20 0.97 -3.51 -2.05 3.41 -1.26 -4.59 113.62 101.39 2sni n SER 53 Ca 0.17 -0.96 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 2sni n SER 53 Cb 0.54 0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 2sni n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2sni s GLU 54 N -2.36 0.75 0.34 4.33 2.02 -0.48 -5.01 118.70 118.29 2sni s GLU 54 Ca 0.29 -1.55 0.25 0.00 0.02 0.00 0.00 54.97 53.98 2sni s GLU 54 Cb 0.20 -1.54 0.62 0.00 0.10 0.00 0.00 34.13 33.52 2sni s GLU 54 CO 0.46 -1.22 1.71 1.79 0.02 0.00 0.00 175.26 178.02 2sni h THR 55 N 5.02 0.00 -3.58 3.63 1.35 -1.81 -3.39 112.91 114.13 2sni h THR 55 Ca 0.07 -0.71 -0.67 0.00 -0.55 0.00 0.00 66.41 64.54 2sni h THR 55 Cb 0.95 1.70 -0.17 0.00 -1.73 0.00 0.00 68.15 68.90 2sni h THR 55 CO 0.32 0.00 -0.16 0.21 -0.25 0.00 0.00 175.52 175.64 2sni s ASN 56 N -5.36 6.23 0.23 5.36 2.47 -1.26 -4.47 114.94 118.13 2sni s ASN 56 Ca 0.08 -0.43 0.25 0.00 0.42 0.00 0.00 52.86 53.18 2sni s ASN 56 Cb 0.09 -2.24 0.89 0.00 -1.45 0.00 0.00 41.25 38.54 2sni s ASN 56 CO 0.62 -0.54 1.75 -0.81 -3.72 0.00 0.00 177.10 174.40 2sni n PRO 57 N 5.66 0.23 -0.52 0.43 -0.04 -1.26 -3.23 135.00 136.27 2sni n PRO 57 Ca -0.07 0.30 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2sni n PRO 57 Cb 0.48 -1.83 0.27 0.00 -0.04 0.00 0.00 33.50 32.38 2sni n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2sni n PHE 58 N -2.24 1.23 -3.95 0.54 3.72 -1.26 -2.11 117.46 113.39 2sni n PHE 58 Ca 0.04 -0.46 -0.31 0.00 -0.05 0.00 0.00 57.45 56.68 2sni n PHE 58 Cb 0.34 -0.27 -0.15 0.00 -0.94 0.00 0.00 39.48 38.46 2sni n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2sni s GLN 59 N -1.95 1.48 -0.78 -1.08 0.74 -1.20 -3.30 119.66 113.58 2sni s GLN 59 Ca 0.37 -1.40 -0.16 0.00 0.05 0.00 0.00 55.36 54.23 2sni s GLN 59 Cb 0.26 -2.75 0.18 0.00 1.10 0.00 0.00 33.01 31.79 2sni s GLN 59 CO 0.15 -0.80 0.79 0.34 -0.55 0.00 0.00 175.29 175.22 2sni s ASP 60 N 1.21 6.59 0.00 6.67 2.15 -1.26 -4.68 116.67 127.34 2sni s ASP 60 Ca 0.03 -2.30 0.30 0.00 0.43 0.00 0.00 52.55 51.02 2sni s ASP 60 Cb -0.19 -2.25 1.61 0.00 -0.30 0.00 0.00 42.92 41.79 2sni s ASP 60 CO -0.10 -0.76 2.06 0.59 -0.17 0.00 0.00 175.17 176.78 2sni n ASN 61 N 4.89 0.49 -0.08 -0.34 3.02 -1.26 -3.84 115.26 118.14 2sni n ASN 61 Ca 0.09 -1.17 -0.16 0.00 -0.03 0.00 0.00 54.58 53.30 2sni n ASN 61 Cb 0.46 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 2sni n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2sni n ASN 62 N -0.61 1.10 0.00 6.41 2.85 -1.26 -4.81 115.26 118.94 2sni n ASN 62 Ca 0.22 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 2sni n ASN 62 Cb 0.19 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.75 2sni n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2sni n SER 63 N -3.70 0.00 0.11 1.20 3.41 -1.25 -4.95 113.62 108.43 2sni n SER 63 Ca -0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.18 2sni n SER 63 Cb 0.70 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.58 2sni n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2sni h HIS 64 N 0.00 -0.21 -0.68 7.33 6.17 -1.92 -1.86 115.15 123.97 2sni h HIS 64 Ca 0.00 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.13 2sni h HIS 64 Cb 0.00 0.07 -0.05 0.00 2.52 0.00 0.00 27.41 29.95 2sni h HIS 64 CO 0.00 -0.13 0.39 0.78 0.71 0.00 0.00 177.93 179.68 2sni h GLY 65 N -0.21 1.00 1.03 5.26 0.00 -1.87 -1.06 103.07 107.22 2sni h GLY 65 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2sni h GLY 65 CO 0.01 0.18 0.21 -0.84 0.00 0.00 0.00 176.54 176.10 2sni h THR 66 N 0.72 1.25 0.04 4.70 2.02 -1.53 -1.42 112.91 118.70 2sni h THR 66 Ca 0.30 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 2sni h THR 66 Cb 0.17 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2sni h THR 66 CO -0.17 0.33 -0.02 -0.74 0.37 0.00 0.00 175.52 175.29 2sni h HIS 67 N 0.96 -0.05 -0.90 3.16 6.17 -0.76 -2.15 115.15 121.57 2sni h HIS 67 Ca 0.21 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.32 2sni h HIS 67 Cb 0.29 0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.18 2sni h HIS 67 CO 0.02 0.07 0.58 0.28 0.71 0.00 0.00 177.93 179.60 2sni h VAL 68 N -0.17 1.17 -0.91 5.26 2.07 -1.15 -2.48 116.25 120.04 2sni h VAL 68 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2sni h VAL 68 Cb 0.15 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 2sni h VAL 68 CO 0.01 0.21 0.52 0.00 0.02 0.00 0.00 177.57 178.33 2sni h ALA 69 N 1.36 1.16 -0.88 1.67 0.00 -1.12 -2.68 119.26 118.78 2sni h ALA 69 Ca 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2sni h ALA 69 Cb -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 2sni h ALA 69 CO -0.10 0.65 0.55 0.78 0.00 0.00 0.00 179.25 181.13 2sni h GLY 70 N 1.27 1.26 1.03 0.00 0.00 -0.92 -0.20 103.07 105.51 2sni h GLY 70 Ca 0.32 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2sni h GLY 70 CO -0.05 0.50 -0.05 -0.84 0.00 0.00 0.00 176.54 176.09 2sni h THR 71 N 1.21 1.27 0.16 4.70 2.02 -1.30 -0.10 112.91 120.86 2sni h THR 71 Ca 0.32 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2sni h THR 71 Cb -0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2sni h THR 71 CO -0.06 0.41 -0.08 0.58 0.37 0.00 0.00 175.52 176.74 2sni h VAL 72 N 0.78 0.93 -0.11 3.16 2.07 -1.16 0.39 116.25 122.31 2sni h VAL 72 Ca 0.14 -0.36 -0.18 0.00 0.82 0.00 0.00 66.70 67.11 2sni h VAL 72 Cb 0.59 1.15 -0.28 0.00 -1.52 0.00 0.00 31.29 31.23 2sni h VAL 72 CO 0.04 0.09 -0.71 0.00 0.02 0.00 0.00 177.57 177.00 2sni n ALA 73 N -2.28 2.88 -1.64 1.67 0.00 -0.13 -0.84 120.51 120.18 2sni n ALA 73 Ca -0.09 -1.75 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 2sni n ALA 73 Cb 0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 2sni n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2sni n ALA 74 N -0.34 0.44 -1.76 0.00 0.00 -0.05 -4.55 120.51 114.26 2sni n ALA 74 Ca -0.07 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.36 2sni n ALA 74 Cb 0.89 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2sni n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2sni s LEU 75 N -0.23 3.85 -0.60 0.00 1.43 -0.04 -1.23 118.68 121.86 2sni s LEU 75 Ca 0.57 2.57 -0.21 0.00 -1.03 0.00 0.00 54.13 56.03 2sni s LEU 75 Cb -0.64 -4.34 0.08 0.00 0.03 0.00 0.00 46.19 41.32 2sni s LEU 75 CO 0.61 -1.42 0.81 0.21 0.23 0.00 0.00 176.35 176.79 2sni s ASN 76 N -1.20 6.20 0.00 2.29 2.47 -1.26 -4.46 114.94 118.99 2sni s ASN 76 Ca 0.71 -1.06 0.00 0.00 0.42 0.00 0.00 52.86 52.93 2sni s ASN 76 Cb -0.35 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2sni s ASN 76 CO 0.41 -1.21 0.00 -0.46 -3.72 0.00 0.00 177.10 172.13 2sni n ASN 77 N 6.92 0.75 -0.50 -4.21 2.04 -1.26 -5.06 115.26 113.94 2sni n ASN 77 Ca -0.06 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.15 2sni n ASN 77 Cb 0.45 0.00 0.19 0.00 -2.53 0.00 0.00 39.78 37.88 2sni n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2sni n SER 78 N 0.00 2.60 -4.24 0.53 3.41 -1.26 -4.71 113.62 109.95 2sni n SER 78 Ca 0.00 -3.32 -0.14 0.00 -0.26 0.00 0.00 58.87 55.15 2sni n SER 78 Cb 0.00 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2sni n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2sni s ILE 79 N -2.99 0.88 0.00 -1.33 -4.36 -1.26 -3.14 121.20 109.01 2sni s ILE 79 Ca 0.37 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2sni s ILE 79 Cb 0.33 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 42.06 2sni s ILE 79 CO 0.02 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.19 2sni n GLY 80 N -0.21 3.06 0.00 6.27 0.00 -1.21 -4.50 105.19 108.60 2sni n GLY 80 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2sni n GLY 80 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2sni n VAL 81 N 0.00 0.00 -3.73 1.61 0.24 -1.25 0.47 118.33 115.66 2sni n VAL 81 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 2sni n VAL 81 Cb 0.00 -0.50 -0.15 0.00 -1.47 0.00 0.00 33.84 31.73 2sni n VAL 81 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2sni s LEU 82 N 0.00 0.57 0.62 1.34 2.96 -1.18 -4.50 118.68 118.48 2sni s LEU 82 Ca 0.00 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2sni s LEU 82 Cb 0.00 0.35 0.01 0.00 0.50 0.00 0.00 46.19 47.05 2sni s LEU 82 CO 0.00 -0.17 0.93 -0.83 -1.32 0.00 0.00 176.35 174.97 2sni s GLY 83 N 1.39 1.62 0.41 7.98 0.00 -0.37 -4.56 107.32 113.78 2sni s GLY 83 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 44.72 44.04 2sni s GLY 83 CO -0.06 -0.38 2.05 -2.08 0.00 0.00 0.00 173.10 172.63 2sni h VAL 84 N -0.27 1.10 -2.32 1.40 2.07 -0.74 -3.32 116.25 114.17 2sni h VAL 84 Ca -0.45 -0.20 -0.58 0.00 0.82 0.00 0.00 66.70 66.28 2sni h VAL 84 Cb 1.26 0.47 -0.39 0.00 -1.52 0.00 0.00 31.29 31.11 2sni h VAL 84 CO 0.61 0.11 -0.95 0.00 0.02 0.00 0.00 177.57 177.36 2sni n ALA 85 N -2.47 2.87 0.34 1.67 0.00 -0.02 -4.87 120.51 118.03 2sni n ALA 85 Ca 0.04 -3.47 0.11 0.00 0.00 0.00 0.00 53.44 50.13 2sni n ALA 85 Cb 0.07 -0.81 0.51 0.00 0.00 0.00 0.00 19.45 19.22 2sni n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2sni n PRO 86 N 2.16 0.18 -0.13 0.00 -0.04 -1.12 -2.15 135.00 133.89 2sni n PRO 86 Ca 0.26 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.30 2sni n PRO 86 Cb 0.48 -1.88 0.17 0.00 -0.04 0.00 0.00 33.50 32.22 2sni n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2sni n SER 87 N -2.22 3.22 -4.76 3.54 7.64 -0.26 -4.62 113.62 116.15 2sni n SER 87 Ca 0.01 -1.96 -0.36 0.00 1.01 0.00 0.00 58.87 57.58 2sni n SER 87 Cb 0.18 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2sni n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2sni s ALA 88 N -1.55 2.62 -0.51 -0.43 0.00 -0.91 -3.97 121.76 117.00 2sni s ALA 88 Ca 0.33 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 2sni s ALA 88 Cb 0.21 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2sni s ALA 88 CO 0.29 -0.97 0.86 -1.12 0.00 0.00 0.00 175.76 174.83 2sni s SER 89 N -1.68 6.36 -0.22 0.00 0.01 0.19 -4.96 113.70 113.40 2sni s SER 89 Ca 0.75 -0.32 -0.21 0.00 1.31 0.00 0.00 55.95 57.48 2sni s SER 89 Cb -0.27 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 2sni s SER 89 CO 0.30 -1.09 0.63 -0.22 0.41 0.00 0.00 173.24 173.27 2sni s LEU 90 N 3.61 4.11 -0.14 2.44 2.96 -1.26 -0.28 118.68 130.12 2sni s LEU 90 Ca 0.29 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 2sni s LEU 90 Cb -0.13 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 2sni s LEU 90 CO 0.20 -0.31 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.47 2sni s TYR 91 N 2.13 2.79 -0.47 5.38 1.51 -0.23 0.11 117.35 128.57 2sni s TYR 91 Ca 0.28 -0.84 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 2sni s TYR 91 Cb -0.16 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2sni s TYR 91 CO 0.10 -0.34 0.63 0.00 -1.11 0.00 0.00 175.55 174.82 2sni s ALA 92 N 0.58 3.36 -0.43 3.71 0.00 0.03 -1.06 121.76 127.95 2sni s ALA 92 Ca -0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 2sni s ALA 92 Cb -0.16 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.76 2sni s ALA 92 CO 0.03 -1.90 0.23 0.08 0.00 0.00 0.00 175.76 174.21 2sni s VAL 93 N 2.72 3.40 -0.38 0.00 1.01 -0.73 -1.34 120.40 125.07 2sni s VAL 93 Ca 0.18 -2.10 -0.25 0.00 0.00 0.00 0.00 61.98 59.82 2sni s VAL 93 Cb -0.17 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2sni s VAL 93 CO 0.15 -0.71 0.88 -0.75 0.00 0.00 0.00 175.10 174.66 2sni s LYS 94 N 1.07 3.77 0.00 2.72 2.20 -0.92 -0.36 119.74 128.22 2sni s LYS 94 Ca 0.09 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2sni s LYS 94 Cb -0.23 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 2sni s LYS 94 CO -0.04 -0.95 0.38 1.33 -0.36 0.00 0.00 175.35 175.71 2sni n VAL 95 N 5.97 0.00 -5.25 4.02 0.24 0.14 -0.15 118.33 123.29 2sni n VAL 95 Ca 0.06 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.64 2sni n VAL 95 Cb 0.48 1.16 -0.16 0.00 -1.47 0.00 0.00 33.84 33.85 2sni n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2sni s LEU 96 N -0.13 2.05 0.00 1.34 1.43 -1.05 -4.35 118.68 117.97 2sni s LEU 96 Ca 0.00 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2sni s LEU 96 Cb 0.00 -1.30 0.11 0.00 0.03 0.00 0.00 46.19 45.03 2sni s LEU 96 CO 0.00 0.29 0.53 0.61 0.23 0.00 0.00 176.35 178.01 2sni n GLY 97 N 2.58 -1.92 0.29 -3.19 0.00 -0.10 -4.50 105.19 98.36 2sni n GLY 97 Ca -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.32 2sni n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sni h ALA 98 N -2.11 1.75 0.00 4.61 0.00 -1.87 -2.32 119.26 119.32 2sni h ALA 98 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2sni h ALA 98 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2sni h ALA 98 CO 0.12 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 2sni n ASP 99 N -4.46 0.00 -0.09 0.00 5.68 -1.26 -4.25 116.55 112.17 2sni n ASP 99 Ca 0.01 -0.89 -0.01 0.00 -0.50 0.00 0.00 54.79 53.40 2sni n ASP 99 Cb 0.09 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2sni n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sni n GLY 100 N 0.63 0.47 3.30 6.12 0.00 -0.87 -5.05 105.19 109.79 2sni n GLY 100 Ca 0.18 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 2sni n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2sni s SER 101 N -2.99 2.29 -0.03 1.61 1.04 -1.26 -4.91 113.70 109.45 2sni s SER 101 Ca 0.00 -0.93 -0.23 0.00 0.48 0.00 0.00 55.95 55.27 2sni s SER 101 Cb 0.00 -0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.07 2sni s SER 101 CO 0.00 -0.17 0.50 -0.83 0.98 0.00 0.00 173.24 173.72 2sni s GLY 102 N -2.94 -0.37 0.50 7.32 0.00 -1.26 -0.92 107.32 109.65 2sni s GLY 102 Ca 0.16 0.81 -0.21 0.00 0.00 0.00 0.00 44.72 45.49 2sni s GLY 102 CO 0.05 0.53 1.12 1.20 0.00 0.00 0.00 173.10 175.99 2sni s GLN 103 N -1.31 3.61 0.36 2.90 -1.52 -1.26 -4.93 119.66 117.50 2sni s GLN 103 Ca -0.12 1.61 0.10 0.00 -1.95 0.00 0.00 55.36 55.00 2sni s GLN 103 Cb -0.02 -2.18 0.84 0.00 -0.22 0.00 0.00 33.01 31.42 2sni s GLN 103 CO 0.07 -0.64 1.85 1.88 -0.25 0.00 0.00 175.29 178.20 2sni h TYR 104 N 1.61 0.82 -0.34 0.91 -1.99 -2.01 -1.01 116.97 114.96 2sni h TYR 104 Ca -0.50 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.17 2sni h TYR 104 Cb 1.25 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.71 2sni h TYR 104 CO 0.53 0.28 -0.14 0.66 -0.00 0.00 0.00 178.16 179.49 2sni h SER 105 N 0.67 0.60 -0.78 3.88 4.64 -1.99 -1.51 113.55 119.05 2sni h SER 105 Ca 0.47 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2sni h SER 105 Cb 0.80 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 2sni h SER 105 CO -0.22 0.77 0.35 -0.50 -0.87 0.00 0.00 176.83 176.35 2sni h TRP 106 N 0.55 1.15 -0.18 4.77 6.55 -1.50 -0.91 115.95 126.38 2sni h TRP 106 Ca 0.10 -0.07 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 2sni h TRP 106 Cb 0.57 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 2sni h TRP 106 CO 0.02 0.85 0.05 0.82 -1.05 0.00 0.00 178.44 179.13 2sni h ILE 107 N 1.11 1.20 -0.32 1.49 5.03 -1.27 -2.14 117.51 122.60 2sni h ILE 107 Ca 0.26 -0.62 0.03 0.00 -0.12 0.00 0.00 64.86 64.42 2sni h ILE 107 Cb 0.16 1.27 -0.03 0.00 -3.03 0.00 0.00 36.82 35.18 2sni h ILE 107 CO -0.03 0.19 0.13 0.40 -0.68 0.00 0.00 178.15 178.16 2sni h ILE 108 N 0.11 0.94 -0.80 -0.67 2.04 -1.15 -1.75 117.51 116.22 2sni h ILE 108 Ca 0.06 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 65.93 2sni h ILE 108 Cb 0.25 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 2sni h ILE 108 CO -0.00 0.05 0.43 0.78 0.00 0.00 0.00 178.15 179.41 2sni h ASN 109 N 0.27 0.57 -0.61 1.72 2.35 -1.11 0.66 115.58 119.44 2sni h ASN 109 Ca 0.14 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2sni h ASN 109 Cb 0.09 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2sni h ASN 109 CO -0.13 0.30 0.17 1.23 -1.65 0.00 0.00 177.43 177.35 2sni h GLY 110 N 0.69 1.03 0.94 2.83 0.00 -0.68 -0.11 103.07 107.77 2sni h GLY 110 Ca 0.41 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2sni h GLY 110 CO -0.29 0.59 0.15 -2.22 0.00 0.00 0.00 176.54 174.77 2sni h ILE 111 N 0.88 1.17 -0.41 2.60 2.04 -0.40 0.60 117.51 123.99 2sni h ILE 111 Ca 0.19 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2sni h ILE 111 Cb 0.32 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2sni h ILE 111 CO -0.00 0.19 0.11 -0.33 0.00 0.00 0.00 178.15 178.11 2sni h GLU 112 N 0.41 0.24 -0.25 2.37 4.39 -0.64 -0.36 114.58 120.74 2sni h GLU 112 Ca 0.12 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.83 2sni h GLU 112 Cb 0.15 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2sni h GLU 112 CO -0.01 0.16 0.09 2.35 -1.16 0.00 0.00 179.01 180.43 2sni h TRP 113 N 0.25 0.15 -0.54 4.33 7.01 -0.65 -1.44 115.95 125.07 2sni h TRP 113 Ca 0.20 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.31 2sni h TRP 113 Cb 0.22 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.17 2sni h TRP 113 CO -0.18 0.07 0.10 0.00 -2.79 0.00 0.00 178.44 175.64 2sni h ALA 114 N 1.16 0.60 0.35 2.65 0.00 0.34 0.10 119.26 124.46 2sni h ALA 114 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2sni h ALA 114 Cb 0.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2sni h ALA 114 CO -0.12 -0.32 -0.17 0.82 0.00 0.00 0.00 179.25 179.47 2sni h ILE 115 N 0.23 0.66 -0.05 0.00 2.04 -0.92 -1.61 117.51 117.86 2sni h ILE 115 Ca 0.27 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2sni h ILE 115 Cb 0.39 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2sni h ILE 115 CO -0.37 0.07 0.04 0.00 0.00 0.00 0.00 178.15 177.90 2sni h ALA 116 N -0.12 1.94 -0.63 1.87 0.00 -0.75 -1.88 119.26 119.68 2sni h ALA 116 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2sni h ALA 116 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2sni h ALA 116 CO 0.08 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.35 2sni n ASN 117 N -4.36 4.27 -3.11 0.00 3.02 0.30 -4.97 115.26 110.41 2sni n ASN 117 Ca -0.02 -2.30 -0.21 0.00 -0.03 0.00 0.00 54.58 52.02 2sni n ASN 117 Cb 0.14 -0.53 0.06 0.00 -0.61 0.00 0.00 39.78 38.83 2sni n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2sni n ASN 118 N 1.19 -5.90 -4.76 6.41 3.02 -0.71 -4.99 115.26 109.52 2sni n ASN 118 Ca 0.24 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 54.02 2sni n ASN 118 Cb 0.77 -4.59 0.02 0.00 -0.61 0.00 0.00 39.78 35.37 2sni n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2sni s MET 119 N -5.99 3.25 -0.12 3.52 -1.94 -0.62 -4.89 119.30 112.51 2sni s MET 119 Ca 0.44 1.81 -0.06 0.00 -1.71 0.00 0.00 55.69 56.18 2sni s MET 119 Cb -0.20 -2.09 -0.26 0.00 2.01 0.00 0.00 34.83 34.30 2sni s MET 119 CO 0.55 -0.98 0.36 -0.25 -0.01 0.00 0.00 175.02 174.69 2sni n ASP 120 N -1.22 2.10 -4.04 3.03 10.43 0.96 -4.77 116.55 123.05 2sni n ASP 120 Ca 0.11 0.20 -0.18 0.00 2.57 0.00 0.00 54.79 57.49 2sni n ASP 120 Cb 0.49 -0.84 -0.14 0.00 1.84 0.00 0.00 41.12 42.47 2sni n ASP 120 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2sni s VAL 121 N -2.56 0.75 -0.08 2.53 1.01 -0.80 -1.54 120.40 119.72 2sni s VAL 121 Ca -0.22 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2sni s VAL 121 Cb 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2sni s VAL 121 CO 0.77 0.14 -0.20 -0.63 0.00 0.00 0.00 175.10 175.17 2sni s ILE 122 N -0.37 1.73 -0.14 2.22 1.01 0.72 -0.48 121.20 125.88 2sni s ILE 122 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2sni s ILE 122 Cb -0.04 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2sni s ILE 122 CO -0.00 0.49 -0.16 0.21 0.00 0.00 0.00 174.94 175.48 2sni s ASN 123 N 0.31 3.67 -0.45 3.58 2.47 -0.30 -1.42 114.94 122.80 2sni s ASN 123 Ca -0.14 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 52.72 2sni s ASN 123 Cb -0.16 -1.55 0.13 0.00 -1.45 0.00 0.00 41.25 38.22 2sni s ASN 123 CO 0.06 0.11 0.23 -0.04 -3.72 0.00 0.00 177.10 173.74 2sni s MET 124 N 0.64 1.42 -1.14 0.43 -1.94 0.01 -1.40 119.30 117.32 2sni s MET 124 Ca -0.09 -2.09 -0.06 0.00 -1.71 0.00 0.00 55.69 51.75 2sni s MET 124 Cb -0.16 -2.57 0.06 0.00 2.01 0.00 0.00 34.83 34.17 2sni s MET 124 CO 0.03 -1.13 2.59 0.43 -0.01 0.00 0.00 175.02 176.93 2sni n SER 125 N 3.54 7.73 -3.88 3.03 7.64 -1.26 -1.50 113.62 128.92 2sni n SER 125 Ca 0.07 -3.05 -0.09 0.00 1.01 0.00 0.00 58.87 56.81 2sni n SER 125 Cb 0.34 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 2sni n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2sni s LEU 126 N -1.74 0.10 -0.15 -3.43 0.05 -1.26 -4.86 118.68 107.38 2sni s LEU 126 Ca 0.58 -0.71 -0.34 0.00 0.05 0.00 0.00 54.13 53.71 2sni s LEU 126 Cb 0.23 2.13 0.13 0.00 -2.05 0.00 0.00 46.19 46.63 2sni s LEU 126 CO -0.11 -1.17 1.23 -0.83 -0.55 0.00 0.00 176.35 174.92 2sni s GLY 127 N -2.95 -0.32 0.07 -3.48 0.00 -1.26 -4.48 107.32 94.91 2sni s GLY 127 Ca 0.15 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.27 2sni s GLY 127 CO 0.05 0.44 -0.05 -0.32 0.00 0.00 0.00 173.10 173.21 2sni s GLY 128 N -2.36 0.58 0.04 0.20 0.00 -0.06 -4.94 107.32 100.78 2sni s GLY 128 Ca 0.11 -1.14 0.28 0.00 0.00 0.00 0.00 44.72 43.96 2sni s GLY 128 CO -0.04 -1.23 1.87 -1.55 0.00 0.00 0.00 173.10 172.15 2sni n PRO 129 N 0.40 0.05 -4.19 2.90 -0.04 -1.26 -0.61 135.00 132.24 2sni n PRO 129 Ca -0.16 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 2sni n PRO 129 Cb 0.59 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2sni n PRO 129 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2sni s SER 130 N -3.28 1.79 0.69 3.54 1.04 -1.26 -4.84 113.70 111.37 2sni s SER 130 Ca 0.13 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 2sni s SER 130 Cb 0.17 -0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.35 2sni s SER 130 CO 0.52 -0.09 0.81 0.61 0.98 0.00 0.00 173.24 176.08 2sni n GLY 131 N 1.07 0.53 3.54 7.32 0.00 -1.26 -4.73 105.19 111.66 2sni n GLY 131 Ca -0.20 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 2sni n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2sni s SER 132 N -4.28 -0.66 0.23 1.61 0.15 -1.26 -5.02 113.70 104.47 2sni s SER 132 Ca 0.53 1.13 -0.08 0.00 0.70 0.00 0.00 55.95 58.23 2sni s SER 132 Cb -0.03 1.11 0.24 0.00 -1.71 0.00 0.00 66.02 65.63 2sni s SER 132 CO 0.35 -0.33 1.87 0.00 1.20 0.00 0.00 173.24 176.33 2sni h ALA 133 N 4.52 1.09 -0.73 5.45 0.00 -2.00 -0.12 119.26 127.47 2sni h ALA 133 Ca -0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2sni h ALA 133 Cb 1.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2sni h ALA 133 CO 0.18 0.37 0.21 0.00 0.00 0.00 0.00 179.25 180.00 2sni h ALA 134 N 1.34 0.96 -0.09 0.00 0.00 -1.98 -0.27 119.26 119.21 2sni h ALA 134 Ca 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2sni h ALA 134 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2sni h ALA 134 CO -0.11 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.02 2sni h LEU 135 N 1.09 0.19 -0.56 0.00 5.85 -1.79 -2.11 115.31 117.97 2sni h LEU 135 Ca 0.23 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2sni h LEU 135 Cb 0.34 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2sni h LEU 135 CO -0.00 0.52 0.25 0.50 -0.34 0.00 0.00 178.44 179.36 2sni h LYS 136 N -0.15 0.45 -0.78 1.25 3.64 -0.88 -2.18 116.57 117.92 2sni h LYS 136 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2sni h LYS 136 Cb 0.44 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2sni h LYS 136 CO 0.01 0.30 0.49 0.00 -2.27 0.00 0.00 179.45 177.98 2sni h ALA 137 N 1.35 1.40 -0.35 5.00 0.00 -0.95 -1.41 119.26 124.29 2sni h ALA 137 Ca 0.27 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2sni h ALA 137 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2sni h ALA 137 CO -0.23 0.53 -0.25 0.00 0.00 0.00 0.00 179.25 179.30 2sni h ALA 138 N 1.48 0.50 -0.28 0.00 0.00 -0.76 -1.42 119.26 118.79 2sni h ALA 138 Ca 0.28 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2sni h ALA 138 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2sni h ALA 138 CO -0.06 0.50 -0.56 -0.39 0.00 0.00 0.00 179.25 178.74 2sni h VAL 139 N 0.57 1.28 -0.69 0.00 -1.51 -1.30 -1.60 116.25 113.01 2sni h VAL 139 Ca 0.07 -1.75 -0.03 0.00 -1.23 0.00 0.00 66.70 63.76 2sni h VAL 139 Cb 0.82 1.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 2sni h VAL 139 CO 0.07 0.57 0.29 0.44 -1.23 0.00 0.00 177.57 177.70 2sni h ASP 140 N 0.65 0.92 -0.39 4.19 3.32 -1.26 -2.22 116.42 121.62 2sni h ASP 140 Ca 0.01 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2sni h ASP 140 Cb 1.16 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2sni h ASP 140 CO 0.12 0.81 -0.10 0.50 -1.72 0.00 0.00 179.24 178.85 2sni h LYS 141 N 0.99 0.76 -0.60 3.56 3.64 -1.11 -0.99 116.57 122.82 2sni h LYS 141 Ca 0.23 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2sni h LYS 141 Cb 0.17 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2sni h LYS 141 CO -0.02 0.90 0.35 0.00 -2.27 0.00 0.00 179.45 178.40 2sni h ALA 142 N 0.84 0.78 -0.00 5.00 0.00 -0.98 -1.91 119.26 122.99 2sni h ALA 142 Ca 0.10 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2sni h ALA 142 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2sni h ALA 142 CO 0.04 0.06 -0.69 0.28 0.00 0.00 0.00 179.25 178.93 2sni h VAL 143 N 0.67 1.49 0.00 0.00 2.07 -1.25 -0.63 116.25 118.61 2sni h VAL 143 Ca 0.25 -2.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 2sni h VAL 143 Cb 0.08 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2sni h VAL 143 CO -0.13 0.68 -0.46 0.00 0.02 0.00 0.00 177.57 177.68 2sni h ALA 144 N 1.29 1.01 -0.01 1.67 0.00 -0.93 -2.76 119.26 119.53 2sni h ALA 144 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2sni h ALA 144 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2sni h ALA 144 CO 0.09 0.58 -0.09 0.43 0.00 0.00 0.00 179.25 180.26 2sni n SER 145 N -3.66 1.11 0.00 0.00 7.64 -0.74 -4.94 113.62 113.02 2sni n SER 145 Ca -0.01 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2sni n SER 145 Cb 0.54 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2sni n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2sni n GLY 146 N 1.22 0.89 3.85 0.23 0.00 -1.04 -5.06 105.19 105.28 2sni n GLY 146 Ca 0.17 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2sni n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2sni s VAL 147 N -2.00 5.00 -0.30 1.61 1.01 -0.27 -4.38 120.40 121.07 2sni s VAL 147 Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 2sni s VAL 147 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2sni s VAL 147 CO 0.00 0.34 0.57 -0.69 0.00 0.00 0.00 175.10 175.32 2sni s VAL 148 N -1.35 4.99 -0.22 2.92 1.01 -0.59 -4.15 120.40 123.02 2sni s VAL 148 Ca 0.33 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 2sni s VAL 148 Cb -0.15 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2sni s VAL 148 CO 0.18 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 2sni s VAL 149 N 2.47 3.37 0.00 2.92 1.01 -1.26 -0.20 120.40 128.71 2sni s VAL 149 Ca 0.23 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.78 2sni s VAL 149 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2sni s VAL 149 CO 0.11 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 2sni s VAL 150 N 1.42 1.75 0.08 2.92 1.01 -0.51 -1.28 120.40 125.79 2sni s VAL 150 Ca 0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 2sni s VAL 150 Cb -0.14 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2sni s VAL 150 CO -0.03 0.41 0.18 0.00 0.00 0.00 0.00 175.10 175.66 2sni s ALA 151 N -0.60 -0.19 0.25 5.51 0.00 0.09 -0.81 121.76 126.01 2sni s ALA 151 Ca 0.08 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2sni s ALA 151 Cb -0.09 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.40 2sni s ALA 151 CO 0.00 -0.49 1.27 0.00 0.00 0.00 0.00 175.76 176.54 2sni s ALA 152 N -3.77 3.49 0.35 0.00 0.00 -0.56 -0.89 121.76 120.38 2sni s ALA 152 Ca 0.04 1.11 0.16 0.00 0.00 0.00 0.00 51.96 53.27 2sni s ALA 152 Cb 0.05 -3.45 0.82 0.00 0.00 0.00 0.00 23.12 20.54 2sni s ALA 152 CO -0.10 -0.49 1.85 0.00 0.00 0.00 0.00 175.76 177.01 2sni h ALA 153 N 4.50 1.32 0.00 0.00 0.00 -1.38 -3.39 119.26 120.31 2sni h ALA 153 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2sni h ALA 153 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2sni h ALA 153 CO 0.72 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.80 2sni n GLY 154 N -0.41 2.72 2.02 0.00 0.00 -1.26 -1.54 105.19 106.72 2sni n GLY 154 Ca -0.02 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 2sni n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2sni n ASN 155 N 0.00 5.46 -0.83 1.61 3.02 -1.25 -0.74 115.26 122.52 2sni n ASN 155 Ca 0.00 -3.77 0.12 0.00 -0.03 0.00 0.00 54.58 50.90 2sni n ASN 155 Cb 0.00 -0.54 0.28 0.00 -0.61 0.00 0.00 39.78 38.91 2sni n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2sni n GLU 156 N -0.81 2.11 0.00 3.52 -0.58 -0.62 -4.74 120.64 119.54 2sni n GLU 156 Ca 0.48 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 2sni n GLU 156 Cb 0.89 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2sni n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2sni n GLY 157 N 1.31 1.31 3.80 0.62 0.00 0.60 -4.73 105.19 108.10 2sni n GLY 157 Ca 0.17 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2sni n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2sni s THR 158 N 0.00 4.67 -0.43 2.61 -4.23 -1.26 -3.40 115.64 113.60 2sni s THR 158 Ca 0.00 -0.72 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2sni s THR 158 Cb 0.00 -3.26 0.21 0.00 1.34 0.00 0.00 72.50 70.79 2sni s THR 158 CO 0.00 0.12 0.52 -0.24 -0.54 0.00 0.00 174.62 174.48 2sni n SER 159 N 0.41 -0.95 0.00 3.99 2.88 -1.26 -5.10 113.62 113.58 2sni n SER 159 Ca -0.08 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 2sni n SER 159 Cb 0.52 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2sni n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2sni n GLY 160 N 2.21 4.04 0.02 0.46 0.00 -1.26 -2.01 105.19 108.65 2sni n GLY 160 Ca 0.23 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.42 2sni n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2sni n SER 161 N 7.69 0.48 -4.85 1.61 3.41 -1.26 -4.94 113.62 115.76 2sni n SER 161 Ca 0.00 0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 2sni n SER 161 Cb 0.00 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 2sni n SER 161 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2sni s SER 162 N -3.38 6.78 0.11 4.04 1.04 -0.85 -5.06 113.70 116.37 2sni s SER 162 Ca 0.10 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 2sni s SER 162 Cb 0.16 -2.36 -0.06 0.00 0.10 0.00 0.00 66.02 63.87 2sni s SER 162 CO 0.67 -0.17 0.99 -0.55 0.98 0.00 0.00 173.24 175.16 2sni s SER 163 N -2.22 7.44 -0.12 7.02 0.15 -1.26 -4.30 113.70 120.41 2sni s SER 163 Ca 0.52 1.82 0.15 0.00 0.70 0.00 0.00 55.95 59.14 2sni s SER 163 Cb -0.11 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.01 2sni s SER 163 CO 0.18 -0.12 1.30 0.35 1.20 0.00 0.00 173.24 176.16 2sni n THR 164 N 2.89 1.86 -2.37 6.45 -2.24 0.19 -4.98 114.28 116.08 2sni n THR 164 Ca 0.03 -1.72 -0.41 0.00 -2.27 0.00 0.00 64.05 59.68 2sni n THR 164 Cb 0.49 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 2sni n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2sni s VAL 165 N -2.34 3.54 0.42 2.28 1.01 -1.19 -4.54 120.40 119.59 2sni s VAL 165 Ca 0.33 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2sni s VAL 165 Cb 0.26 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2sni s VAL 165 CO 0.08 0.21 0.58 0.61 0.00 0.00 0.00 175.10 176.58 2sni n GLY 166 N 2.17 0.78 3.76 4.51 0.00 -0.59 -4.70 105.19 111.11 2sni n GLY 166 Ca 0.04 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 2sni n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2sni s TYR 167 N -1.67 3.37 -2.13 1.61 2.02 0.22 0.19 117.35 120.95 2sni s TYR 167 Ca 0.39 0.31 0.17 0.00 -0.37 0.00 0.00 57.07 57.57 2sni s TYR 167 Cb -0.02 -1.92 0.77 0.00 -0.40 0.00 0.00 41.96 40.39 2sni s TYR 167 CO 0.26 0.52 1.53 -0.35 -1.57 0.00 0.00 175.55 175.93 2sni n PRO 168 N 2.38 1.43 -0.30 -1.71 -0.04 -1.26 -0.88 135.00 134.61 2sni n PRO 168 Ca -0.19 -0.64 0.20 0.00 -0.04 0.00 0.00 63.50 62.83 2sni n PRO 168 Cb 0.54 -1.31 0.48 0.00 -0.04 0.00 0.00 33.50 33.16 2sni n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2sni h GLY 169 N 5.26 1.20 2.00 0.55 0.00 -1.57 -2.32 103.07 108.18 2sni h GLY 169 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2sni h GLY 169 CO 0.00 -0.08 -0.05 1.70 0.00 0.00 0.00 176.54 178.12 2sni h LYS 170 N 0.47 0.00 -6.62 4.80 3.64 -0.54 -3.39 116.57 114.92 2sni h LYS 170 Ca 0.55 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.40 2sni h LYS 170 Cb 1.28 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.13 2sni h LYS 170 CO -0.27 0.05 0.67 0.71 -2.27 0.00 0.00 179.45 178.34 2sni s TYR 171 N -4.91 3.27 0.56 1.91 2.02 -0.88 -4.90 117.35 114.43 2sni s TYR 171 Ca -0.05 1.14 0.26 0.00 -0.37 0.00 0.00 57.07 58.05 2sni s TYR 171 Cb 0.16 -3.62 1.51 0.00 -0.40 0.00 0.00 41.96 39.62 2sni s TYR 171 CO 0.66 -2.00 2.05 -1.35 -1.57 0.00 0.00 175.55 173.34 2sni h PRO 172 N 5.92 0.00 0.00 -1.71 0.11 -1.89 -0.61 132.00 133.82 2sni h PRO 172 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2sni h PRO 172 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2sni h PRO 172 CO 0.80 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.25 2sni h SER 173 N 0.00 0.00 -2.89 -2.05 4.64 -1.94 -3.44 113.55 107.87 2sni h SER 173 Ca 0.14 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.80 2sni h SER 173 Cb 0.68 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.68 2sni h SER 173 CO -0.00 0.00 -0.53 -0.69 -0.87 0.00 0.00 176.83 174.74 2sni s VAL 174 N -3.29 5.13 -0.42 0.95 1.01 -0.24 -4.75 120.40 118.79 2sni s VAL 174 Ca 0.06 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 2sni s VAL 174 Cb 0.10 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2sni s VAL 174 CO 0.48 0.50 0.89 -0.63 0.00 0.00 0.00 175.10 176.34 2sni s ILE 175 N -1.10 4.55 -0.22 2.22 1.01 -0.41 -4.85 121.20 122.40 2sni s ILE 175 Ca 0.19 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.55 2sni s ILE 175 Cb -0.12 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 2sni s ILE 175 CO 0.09 -0.69 0.36 0.00 0.00 0.00 0.00 174.94 174.70 2sni s ALA 176 N 3.55 3.57 -0.17 9.38 0.00 -1.26 -0.74 121.76 136.09 2sni s ALA 176 Ca 0.36 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2sni s ALA 176 Cb -0.11 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2sni s ALA 176 CO 0.23 -0.38 -0.07 0.08 0.00 0.00 0.00 175.76 175.62 2sni s VAL 177 N 1.48 3.42 0.54 0.00 1.01 -0.07 -1.26 120.40 125.52 2sni s VAL 177 Ca 0.17 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2sni s VAL 177 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2sni s VAL 177 CO 0.08 0.48 0.76 -0.83 0.00 0.00 0.00 175.10 175.58 2sni s GLY 178 N 0.79 1.81 -0.09 4.51 0.00 0.52 -1.07 107.32 113.79 2sni s GLY 178 Ca -0.03 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.40 2sni s GLY 178 CO 0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 173.10 171.90 2sni s ALA 179 N -2.73 2.51 0.32 3.20 0.00 -1.26 -1.30 121.76 122.51 2sni s ALA 179 Ca 0.56 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.65 2sni s ALA 179 Cb -0.10 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 2sni s ALA 179 CO 0.38 0.37 -0.04 0.14 0.00 0.00 0.00 175.76 176.61 2sni s VAL 180 N -0.04 1.79 0.33 0.00 -7.23 -1.05 -0.96 120.40 113.23 2sni s VAL 180 Ca -0.04 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2sni s VAL 180 Cb -0.14 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.22 2sni s VAL 180 CO 0.04 -0.19 0.42 -0.90 -0.31 0.00 0.00 175.10 174.16 2sni n ASP 181 N -0.71 1.38 0.20 4.85 5.68 0.49 -1.48 116.55 126.95 2sni n ASP 181 Ca -0.05 -1.93 0.14 0.00 -0.50 0.00 0.00 54.79 52.45 2sni n ASP 181 Cb 0.64 -0.20 0.70 0.00 -1.14 0.00 0.00 41.12 41.12 2sni n ASP 181 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2sni h SER 182 N 0.12 0.00 -0.53 -1.12 4.64 -1.89 0.22 113.55 114.99 2sni h SER 182 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2sni h SER 182 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2sni h SER 182 CO 0.24 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 2sni n SER 183 N -2.44 3.78 -1.07 4.97 3.41 -1.26 -4.96 113.62 116.05 2sni n SER 183 Ca -0.01 -2.21 -0.12 0.00 -0.26 0.00 0.00 58.87 56.27 2sni n SER 183 Cb 0.08 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 2sni n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2sni n ASN 184 N 0.90 -4.24 -4.88 4.04 3.02 0.07 -5.01 115.26 109.15 2sni n ASN 184 Ca 0.20 0.19 -0.35 0.00 -0.03 0.00 0.00 54.58 54.60 2sni n ASN 184 Cb 0.64 -3.02 -0.05 0.00 -0.61 0.00 0.00 39.78 36.74 2sni n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2sni s GLN 185 N -3.55 3.63 0.24 3.52 -1.52 -1.26 -4.81 119.66 115.90 2sni s GLN 185 Ca 0.00 -0.00 -0.30 0.00 -1.95 0.00 0.00 55.36 53.10 2sni s GLN 185 Cb 0.00 -3.06 -0.10 0.00 -0.22 0.00 0.00 33.01 29.63 2sni s GLN 185 CO 0.00 0.63 1.44 0.50 -0.25 0.00 0.00 175.29 177.60 2sni s ARG 186 N -1.79 4.27 0.39 2.91 3.52 -1.26 -0.38 118.95 126.61 2sni s ARG 186 Ca 0.29 2.28 -0.26 0.00 -0.13 0.00 0.00 55.73 57.92 2sni s ARG 186 Cb -0.13 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 2sni s ARG 186 CO 0.17 -0.42 1.16 0.00 -0.81 0.00 0.00 175.30 175.39 2sni s ALA 187 N 0.08 3.18 0.54 6.12 0.00 -0.14 -4.86 121.76 126.69 2sni s ALA 187 Ca 0.60 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.75 2sni s ALA 187 Cb -0.41 -3.37 1.57 0.00 0.00 0.00 0.00 23.12 20.91 2sni s ALA 187 CO 0.42 -0.47 2.18 0.66 0.00 0.00 0.00 175.76 178.55 2sni h SER 188 N 2.76 0.00 1.19 0.00 4.64 -1.93 -2.08 113.55 118.13 2sni h SER 188 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2sni h SER 188 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2sni h SER 188 CO 0.63 0.04 -0.43 2.19 -0.87 0.00 0.00 176.83 178.39 2sni h PHE 189 N 0.00 0.00 -2.38 4.77 -5.15 -1.91 -3.38 116.94 108.88 2sni h PHE 189 Ca -0.00 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.23 2sni h PHE 189 Cb 0.08 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.27 2sni h PHE 189 CO 0.00 0.00 1.23 0.45 -2.00 0.00 0.00 178.31 177.99 2sni s SER 190 N -4.70 6.41 0.68 -0.68 0.15 -0.78 -0.29 113.70 114.48 2sni s SER 190 Ca 0.07 2.56 -0.17 0.00 0.70 0.00 0.00 55.95 59.10 2sni s SER 190 Cb 0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2sni s SER 190 CO 0.69 -1.10 1.24 -1.20 1.20 0.00 0.00 173.24 174.07 2sni n SER 191 N 7.77 1.73 -4.43 5.45 7.64 0.08 -3.83 113.62 128.03 2sni n SER 191 Ca 0.20 0.78 -0.21 0.00 1.01 0.00 0.00 58.87 60.65 2sni n SER 191 Cb 0.42 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 61.98 2sni n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2sni s VAL 192 N -1.53 1.66 0.00 0.44 -7.23 -1.22 -4.88 120.40 107.64 2sni s VAL 192 Ca 0.80 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2sni s VAL 192 Cb -0.37 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2sni s VAL 192 CO 0.43 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 2sni n GLY 193 N -0.59 2.31 0.29 2.32 0.00 -0.50 0.56 105.19 109.58 2sni n GLY 193 Ca -0.05 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.45 2sni n GLY 193 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2sni h PRO 194 N 0.00 0.00 -0.00 1.61 0.11 -1.89 -2.45 132.00 129.38 2sni h PRO 194 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2sni h PRO 194 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2sni h PRO 194 CO 0.00 0.06 -0.11 0.39 -0.21 0.00 0.00 178.00 178.13 2sni n GLU 195 N -3.56 0.03 -2.23 1.05 4.71 -1.26 -4.81 120.64 114.56 2sni n GLU 195 Ca -0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.70 2sni n GLU 195 Cb 0.17 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.07 2sni n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2sni s LEU 196 N -2.97 4.32 -0.19 -4.62 2.96 -0.92 -4.55 118.68 112.70 2sni s LEU 196 Ca 0.14 2.11 -0.15 0.00 -0.22 0.00 0.00 54.13 56.01 2sni s LEU 196 Cb 0.19 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 2sni s LEU 196 CO 0.56 -0.71 -0.19 0.47 -1.32 0.00 0.00 176.35 175.16 2sni n ASP 197 N 5.30 1.89 -4.04 3.68 8.00 -0.39 -4.21 116.55 126.78 2sni n ASP 197 Ca 0.13 0.44 -0.10 0.00 0.71 0.00 0.00 54.79 55.97 2sni n ASP 197 Cb 0.44 -0.84 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 2sni n ASP 197 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2sni s VAL 198 N -2.52 0.03 0.13 2.53 -7.23 -1.04 -0.60 120.40 111.70 2sni s VAL 198 Ca -0.27 -1.57 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 2sni s VAL 198 Cb 0.06 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2sni s VAL 198 CO 0.41 -0.13 -0.18 -0.04 -0.31 0.00 0.00 175.10 174.86 2sni s MET 199 N -4.04 1.78 0.07 4.82 -1.94 -0.58 -0.35 119.30 119.06 2sni s MET 199 Ca 0.25 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 52.89 2sni s MET 199 Cb 0.03 -2.10 0.02 0.00 2.01 0.00 0.00 34.83 34.79 2sni s MET 199 CO 0.06 0.47 0.29 0.00 -0.01 0.00 0.00 175.02 175.83 2sni s ALA 200 N -1.23 -0.61 0.11 3.03 0.00 -0.42 -2.75 121.76 119.89 2sni s ALA 200 Ca 0.19 -0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.65 2sni s ALA 200 Cb -0.10 0.42 -0.13 0.00 0.00 0.00 0.00 23.12 23.31 2sni s ALA 200 CO 0.10 -0.47 1.67 -2.30 0.00 0.00 0.00 175.76 174.76 2sni n PRO 201 N 0.29 2.23 -0.06 0.00 -0.02 -1.26 -2.53 135.00 133.64 2sni n PRO 201 Ca -0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2sni n PRO 201 Cb 0.61 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2sni n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2sni n GLY 202 N 3.71 -2.35 3.27 -1.23 0.00 -0.55 -3.20 105.19 104.83 2sni n GLY 202 Ca 0.18 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2sni n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2sni s VAL 203 N -0.04 2.35 -1.32 1.61 1.01 -1.22 -1.02 120.40 121.76 2sni s VAL 203 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 2sni s VAL 203 Cb 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2sni s VAL 203 CO 0.00 0.55 1.00 -0.24 0.00 0.00 0.00 175.10 176.41 2sni n SER 204 N 3.44 -3.66 -4.58 3.32 2.88 -1.16 -4.77 113.62 109.10 2sni n SER 204 Ca -0.19 -0.66 -0.43 0.00 -1.33 0.00 0.00 58.87 56.27 2sni n SER 204 Cb 0.53 -4.70 -0.04 0.00 -0.75 0.00 0.00 64.21 59.25 2sni n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2sni s ILE 205 N -3.40 4.46 -0.09 2.46 -1.09 0.01 -4.81 121.20 118.75 2sni s ILE 205 Ca 0.29 0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 59.33 2sni s ILE 205 Cb -0.13 -4.43 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 2sni s ILE 205 CO 0.76 -0.79 1.03 -1.10 -1.23 0.00 0.00 174.94 173.62 2sni s GLN 206 N 3.78 4.42 0.10 2.79 -1.52 -1.26 -1.08 119.66 126.89 2sni s GLN 206 Ca 0.39 1.44 -0.02 0.00 -1.95 0.00 0.00 55.36 55.21 2sni s GLN 206 Cb -0.10 -3.54 0.01 0.00 -0.22 0.00 0.00 33.01 29.16 2sni s GLN 206 CO 0.25 -0.32 0.18 0.45 -0.25 0.00 0.00 175.29 175.60 2sni n SER 207 N 4.95 -0.52 -4.77 5.90 2.88 0.11 -4.80 113.62 117.38 2sni n SER 207 Ca 0.09 -1.48 -0.38 0.00 -1.33 0.00 0.00 58.87 55.77 2sni n SER 207 Cb 0.48 0.89 -0.06 0.00 -0.75 0.00 0.00 64.21 64.78 2sni n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2sni s THR 208 N -2.66 4.13 0.07 2.46 -4.23 -1.26 -1.14 115.64 113.01 2sni s THR 208 Ca 0.06 1.90 0.05 0.00 -1.18 0.00 0.00 61.69 62.51 2sni s THR 208 Cb -0.01 -4.11 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 2sni s THR 208 CO 0.04 0.27 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.50 2sni s LEU 209 N -1.75 2.28 0.55 4.79 1.43 -0.27 -2.19 118.68 123.51 2sni s LEU 209 Ca 0.47 -0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2sni s LEU 209 Cb -0.22 -0.46 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 2sni s LEU 209 CO 0.27 -0.10 1.01 -2.65 0.23 0.00 0.00 176.35 175.11 2sni n PRO 210 N 1.27 1.11 -2.76 1.29 -0.02 -1.26 -2.11 135.00 132.52 2sni n PRO 210 Ca -0.21 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 2sni n PRO 210 Cb 0.54 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.89 2sni n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2sni n GLY 211 N 1.21 0.07 3.71 -1.23 0.00 -1.26 -4.00 105.19 103.68 2sni n GLY 211 Ca 0.12 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2sni n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2sni n ASN 212 N -1.84 -1.34 -4.49 1.61 5.15 -1.24 -5.01 115.26 108.10 2sni n ASN 212 Ca -0.12 -0.82 -0.27 0.00 -0.60 0.00 0.00 54.58 52.77 2sni n ASN 212 Cb 0.58 -4.06 -0.09 0.00 -0.53 0.00 0.00 39.78 35.67 2sni n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2sni s LYS 213 N -6.00 1.96 0.02 1.20 1.02 -0.90 -5.03 119.74 112.01 2sni s LYS 213 Ca 0.04 -2.18 -0.00 0.00 0.02 0.00 0.00 55.97 53.85 2sni s LYS 213 Cb -0.02 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.12 2sni s LYS 213 CO 0.81 -0.30 -0.03 0.71 -0.92 0.00 0.00 175.35 175.62 2sni s TYR 214 N -3.03 0.27 -0.07 3.18 1.51 -1.26 -1.12 117.35 116.84 2sni s TYR 214 Ca 0.23 -0.56 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 2sni s TYR 214 Cb 0.05 -0.20 0.12 0.00 -0.11 0.00 0.00 41.96 41.82 2sni s TYR 214 CO 0.12 -0.20 1.10 0.20 -1.11 0.00 0.00 175.55 175.66 2sni s GLY 215 N -1.54 -0.36 -0.12 0.71 0.00 -0.29 -4.86 107.32 100.86 2sni s GLY 215 Ca -0.15 1.10 -0.04 0.00 0.00 0.00 0.00 44.72 45.63 2sni s GLY 215 CO -0.01 0.34 0.02 0.00 0.00 0.00 0.00 173.10 173.45 2sni s ALA 216 N -2.73 3.33 0.25 3.20 0.00 -1.25 -0.71 121.76 123.85 2sni s ALA 216 Ca 0.09 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2sni s ALA 216 Cb -0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 2sni s ALA 216 CO -0.05 0.45 -0.07 0.71 0.00 0.00 0.00 175.76 176.80 2sni s TYR 217 N -0.45 1.80 0.05 0.00 2.02 -0.24 -4.83 117.35 115.70 2sni s TYR 217 Ca 0.09 -0.72 0.07 0.00 -0.37 0.00 0.00 57.07 56.14 2sni s TYR 217 Cb -0.12 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2sni s TYR 217 CO 0.02 0.23 -0.19 -0.80 -1.57 0.00 0.00 175.55 173.24 2sni s ASN 218 N -3.38 2.32 0.00 2.29 0.01 -1.26 -0.81 114.94 114.11 2sni s ASN 218 Ca 0.27 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 2sni s ASN 218 Cb 0.03 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2sni s ASN 218 CO 0.10 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 2sni n GLY 219 N 1.75 3.94 0.17 0.66 0.00 -0.19 -4.85 105.19 106.68 2sni n GLY 219 Ca -0.18 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2sni n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2sni h THR 220 N 1.00 0.00 -0.99 2.61 1.35 -1.85 -1.80 112.91 113.23 2sni h THR 220 Ca 0.00 -0.26 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 2sni h THR 220 Cb 0.00 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.39 2sni h THR 220 CO 0.00 0.00 0.65 0.28 -0.25 0.00 0.00 175.52 176.20 2sni h SER 221 N 0.00 1.10 0.76 5.36 0.02 -1.89 -2.05 113.55 116.85 2sni h SER 221 Ca 0.00 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2sni h SER 221 Cb 0.35 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2sni h SER 221 CO 0.00 0.76 -0.94 0.24 -1.14 0.00 0.00 176.83 175.75 2sni h MET 222 N 1.28 0.10 -0.17 3.45 2.07 -1.64 -3.33 114.93 116.70 2sni h MET 222 Ca 0.38 -0.14 -0.05 0.00 -2.07 0.00 0.00 59.70 57.83 2sni h MET 222 Cb -0.05 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 2sni h MET 222 CO -0.11 0.97 -0.08 0.00 1.07 0.00 0.00 176.91 178.75 2sni h ALA 223 N 0.98 0.23 -0.56 6.32 0.00 -1.37 -3.36 119.26 121.51 2sni h ALA 223 Ca -0.04 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2sni h ALA 223 Cb 1.62 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 2sni h ALA 223 CO 0.14 0.05 -0.49 1.03 0.00 0.00 0.00 179.25 179.97 2sni h SER 224 N 0.03 -1.68 -0.09 0.00 0.87 -1.49 -0.79 113.55 110.39 2sni h SER 224 Ca 0.04 0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2sni h SER 224 Cb 0.56 0.73 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2sni h SER 224 CO 0.02 -0.35 0.21 1.55 -0.53 0.00 0.00 176.83 177.73 2sni h PRO 225 N -0.27 0.00 -0.40 2.24 0.13 -1.71 -0.28 132.00 131.71 2sni h PRO 225 Ca 0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 2sni h PRO 225 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2sni h PRO 225 CO -0.68 0.00 -0.20 0.45 -0.23 0.00 0.00 178.00 177.34 2sni h HIS 226 N 0.00 0.98 -0.06 1.56 3.86 -1.29 -0.34 115.15 119.86 2sni h HIS 226 Ca 0.04 -0.25 -0.21 0.00 -1.16 0.00 0.00 60.37 58.80 2sni h HIS 226 Cb 0.46 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2sni h HIS 226 CO 0.00 1.02 -0.82 0.28 0.86 0.00 0.00 177.93 179.27 2sni h VAL 227 N 0.66 1.37 -0.23 2.45 2.07 -1.09 -1.76 116.25 119.72 2sni h VAL 227 Ca 0.09 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 2sni h VAL 227 Cb 0.76 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2sni h VAL 227 CO 0.06 0.67 0.12 0.00 0.02 0.00 0.00 177.57 178.44 2sni h ALA 228 N 0.79 0.29 -0.47 1.67 0.00 -1.18 -1.44 119.26 118.92 2sni h ALA 228 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2sni h ALA 228 Cb 1.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2sni h ALA 228 CO 0.15 -0.16 0.28 0.78 0.00 0.00 0.00 179.25 180.29 2sni h GLY 229 N 0.25 0.66 0.98 0.00 0.00 -1.05 -2.51 103.07 101.40 2sni h GLY 229 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2sni h GLY 229 CO -0.01 0.18 0.23 0.00 0.00 0.00 0.00 176.54 176.94 2sni h ALA 230 N 1.21 0.46 -0.94 3.60 0.00 -1.07 -1.53 119.26 120.99 2sni h ALA 230 Ca 0.19 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2sni h ALA 230 Cb 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 2sni h ALA 230 CO -0.09 -0.09 0.58 0.00 0.00 0.00 0.00 179.25 179.65 2sni h ALA 231 N 1.14 1.39 -0.54 0.00 0.00 -1.05 0.13 119.26 120.33 2sni h ALA 231 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2sni h ALA 231 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2sni h ALA 231 CO -0.04 0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.60 2sni h ALA 232 N 1.50 0.71 -0.42 0.00 0.00 -0.98 -1.26 119.26 118.79 2sni h ALA 232 Ca 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2sni h ALA 232 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2sni h ALA 232 CO -0.25 0.36 0.23 -0.07 0.00 0.00 0.00 179.25 179.52 2sni h LEU 233 N 0.75 0.54 -0.81 0.00 3.38 -0.21 -0.67 115.31 118.29 2sni h LEU 233 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2sni h LEU 233 Cb 0.26 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2sni h LEU 233 CO -0.01 0.48 0.51 0.40 0.09 0.00 0.00 178.44 179.91 2sni h ILE 234 N 0.55 1.22 0.00 1.22 2.04 -0.79 -2.35 117.51 119.40 2sni h ILE 234 Ca 0.15 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2sni h ILE 234 Cb 0.07 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2sni h ILE 234 CO -0.02 0.22 -0.34 -0.07 0.00 0.00 0.00 178.15 177.94 2sni h LEU 235 N 1.10 0.00 -0.81 1.44 3.38 -0.90 0.45 115.31 119.97 2sni h LEU 235 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2sni h LEU 235 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2sni h LEU 235 CO -0.06 0.34 -0.58 0.77 0.09 0.00 0.00 178.44 179.00 2sni h SER 236 N 0.00 0.03 0.14 -0.43 4.64 -0.64 -1.52 113.55 115.78 2sni h SER 236 Ca -0.00 -0.02 -0.32 0.00 -0.47 0.00 0.00 61.79 60.98 2sni h SER 236 Cb 0.79 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2sni h SER 236 CO 0.04 0.61 -1.65 0.50 -0.87 0.00 0.00 176.83 175.47 2sni h LYS 237 N 0.02 0.30 -2.74 4.77 3.64 -0.94 -3.42 116.57 118.20 2sni h LYS 237 Ca -0.01 -0.50 -0.61 0.00 -1.27 0.00 0.00 60.65 58.26 2sni h LYS 237 Cb 1.04 0.19 -0.41 0.00 -0.41 0.00 0.00 32.23 32.64 2sni h LYS 237 CO 0.08 1.24 -0.69 0.72 -2.27 0.00 0.00 179.45 178.53 2sni n HIS 238 N -3.74 2.19 0.30 1.91 8.25 0.15 -4.95 115.22 119.34 2sni n HIS 238 Ca -0.27 -4.03 0.19 0.00 -0.26 0.00 0.00 57.72 53.35 2sni n HIS 238 Cb 0.99 -0.40 0.93 0.00 1.12 0.00 0.00 29.99 32.63 2sni n HIS 238 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2sni h PRO 239 N 5.19 0.00 -0.02 -0.41 0.13 -1.51 -2.52 132.00 132.86 2sni h PRO 239 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2sni h PRO 239 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2sni h PRO 239 CO 0.64 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.43 2sni n ASN 240 N -2.85 2.39 -4.77 1.44 3.02 -1.26 -4.95 115.26 108.27 2sni n ASN 240 Ca -0.02 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 2sni n ASN 240 Cb 0.12 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 2sni n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2sni s TRP 241 N -2.09 3.02 0.67 3.10 0.52 -0.95 -5.04 118.94 118.17 2sni s TRP 241 Ca 0.29 1.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.91 2sni s TRP 241 Cb 0.20 -3.31 0.04 0.00 -1.15 0.00 0.00 33.47 29.25 2sni s TRP 241 CO 0.36 -1.22 1.00 0.95 0.02 0.00 0.00 176.95 178.05 2sni s THR 242 N -1.55 2.81 0.37 2.01 -4.23 -1.26 -4.88 115.64 108.91 2sni s THR 242 Ca 0.61 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 2sni s THR 242 Cb -0.27 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 70.67 2sni s THR 242 CO 0.33 -0.21 1.97 -0.55 -0.54 0.00 0.00 174.62 175.63 2sni h ASN 243 N -0.49 0.65 -0.68 3.99 -1.07 -1.92 -0.12 115.58 115.94 2sni h ASN 243 Ca -0.45 -0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.87 2sni h ASN 243 Cb 1.29 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 37.37 2sni h ASN 243 CO 0.61 0.43 0.22 0.74 0.07 0.00 0.00 177.43 179.50 2sni h THR 244 N 0.75 1.25 -0.31 6.14 2.02 -1.93 0.18 112.91 121.01 2sni h THR 244 Ca 0.29 -0.85 -0.14 0.00 0.77 0.00 0.00 66.41 66.48 2sni h THR 244 Cb 0.20 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2sni h THR 244 CO -0.09 0.33 -0.35 1.56 0.37 0.00 0.00 175.52 177.35 2sni h GLN 245 N 0.99 0.78 0.41 6.66 4.20 -1.61 -2.07 115.11 124.47 2sni h GLN 245 Ca 0.22 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2sni h GLN 245 Cb 0.28 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2sni h GLN 245 CO -0.01 1.05 -0.25 0.28 -0.67 0.00 0.00 178.83 179.23 2sni h VAL 246 N 0.54 0.47 -0.46 -0.54 2.07 -0.79 -1.62 116.25 115.92 2sni h VAL 246 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 2sni h VAL 246 Cb 0.93 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2sni h VAL 246 CO 0.08 0.00 0.11 -0.09 0.02 0.00 0.00 177.57 177.69 2sni h ARG 247 N -0.64 0.24 -0.18 1.57 2.43 -0.99 -2.23 114.38 114.58 2sni h ARG 247 Ca -0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2sni h ARG 247 Cb 0.53 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2sni h ARG 247 CO 0.04 0.16 0.08 0.77 -1.51 0.00 0.00 179.97 179.51 2sni h SER 248 N 0.25 0.10 -0.84 -3.80 0.02 -1.25 -0.59 113.55 107.44 2sni h SER 248 Ca 0.22 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2sni h SER 248 Cb 0.28 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2sni h SER 248 CO -0.28 0.09 0.54 0.77 -1.14 0.00 0.00 176.83 176.80 2sni h SER 249 N 0.17 0.89 -0.52 3.07 4.64 -0.94 0.20 113.55 121.06 2sni h SER 249 Ca 0.08 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2sni h SER 249 Cb 0.03 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2sni h SER 249 CO -0.07 0.61 0.04 -0.07 -0.87 0.00 0.00 176.83 176.47 2sni h LEU 250 N 1.04 0.87 -0.17 5.97 3.38 -1.15 -2.91 115.31 122.34 2sni h LEU 250 Ca 0.34 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2sni h LEU 250 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2sni h LEU 250 CO -0.12 0.94 -0.96 1.56 0.09 0.00 0.00 178.44 179.95 2sni h GLN 251 N 0.77 0.17 -0.00 1.13 4.20 -0.51 -3.33 115.11 117.53 2sni h GLN 251 Ca 0.15 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2sni h GLN 251 Cb 0.47 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2sni h GLN 251 CO 0.02 1.00 -0.21 0.09 -0.67 0.00 0.00 178.83 179.06 2sni n ASN 252 N -3.58 0.52 -0.07 1.46 3.02 0.65 -4.13 115.26 113.14 2sni n ASN 252 Ca -0.04 -0.42 0.08 0.00 -0.03 0.00 0.00 54.58 54.17 2sni n ASN 252 Cb 0.87 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 40.13 2sni n ASN 252 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2sni n THR 253 N -1.09 1.69 -1.35 3.41 -2.24 -1.10 -5.06 114.28 108.54 2sni n THR 253 Ca 0.11 -1.99 -0.30 0.00 -2.27 0.00 0.00 64.05 59.60 2sni n THR 253 Cb 0.31 -0.09 0.10 0.00 -2.10 0.00 0.00 70.33 68.56 2sni n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2sni s THR 254 N -2.48 3.10 -0.26 4.28 -4.23 -1.26 -4.36 115.64 110.44 2sni s THR 254 Ca 0.26 0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 60.95 2sni s THR 254 Cb 0.22 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2sni s THR 254 CO 0.02 -0.47 0.50 -0.89 -0.54 0.00 0.00 174.62 173.25 2sni s THR 255 N -2.99 5.08 0.19 3.99 2.01 -0.08 -4.91 115.64 118.93 2sni s THR 255 Ca 0.61 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 63.16 2sni s THR 255 Cb -0.16 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2sni s THR 255 CO 0.56 0.10 1.50 -0.54 -0.69 0.00 0.00 174.62 175.54 2sni s LYS 256 N 2.24 4.25 -0.00 4.92 -0.14 -1.26 -1.69 119.74 128.05 2sni s LYS 256 Ca 0.21 2.30 0.04 0.00 -1.36 0.00 0.00 55.97 57.16 2sni s LYS 256 Cb -0.16 -3.15 -0.06 0.00 -1.68 0.00 0.00 37.83 32.79 2sni s LYS 256 CO 0.09 -0.52 0.14 1.28 -0.76 0.00 0.00 175.35 175.59 2sni n LEU 257 N 3.35 0.10 0.00 3.17 4.77 -1.26 -4.93 117.00 122.20 2sni n LEU 257 Ca 0.11 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2sni n LEU 257 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2sni n LEU 257 CO 0.61 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2sni n GLY 258 N 1.71 0.25 3.66 -0.72 0.00 -1.26 -5.05 105.19 103.77 2sni n GLY 258 Ca -0.00 -1.61 -0.50 0.00 0.00 0.00 0.00 46.02 43.90 2sni n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2sni n ASP 259 N 1.45 2.63 0.13 1.61 -0.08 -1.26 -4.66 116.55 116.37 2sni n ASP 259 Ca 0.00 1.07 0.18 0.00 -1.51 0.00 0.00 54.79 54.53 2sni n ASP 259 Cb 0.00 -1.30 0.76 0.00 2.34 0.00 0.00 41.12 42.93 2sni n ASP 259 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2sni h SER 260 N 6.46 0.00 -0.96 1.67 4.64 -1.91 0.23 113.55 123.69 2sni h SER 260 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2sni h SER 260 Cb 1.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 2sni h SER 260 CO 0.88 0.00 0.61 0.15 -0.87 0.00 0.00 176.83 177.60 2sni h PHE 261 N 0.00 1.24 0.00 4.77 3.57 -1.86 0.51 116.94 125.17 2sni h PHE 261 Ca 0.15 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.38 2sni h PHE 261 Cb 0.73 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2sni h PHE 261 CO 0.00 0.80 -1.92 0.66 -2.23 0.00 0.00 178.31 175.62 2sni n TYR 262 N -4.37 0.57 -0.15 0.41 4.02 -0.13 -1.41 117.16 116.09 2sni n TYR 262 Ca 0.11 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 2sni n TYR 262 Cb 0.03 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 2sni n TYR 262 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2sni n TYR 263 N -2.86 0.00 -4.03 -0.72 4.01 0.64 -4.93 117.16 109.27 2sni n TYR 263 Ca -0.21 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2sni n TYR 263 Cb 1.02 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 2sni n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2sni n GLY 264 N -0.06 2.62 0.21 2.72 0.00 0.18 -1.57 105.19 109.29 2sni n GLY 264 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.81 2sni n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2sni h LYS 265 N 0.00 0.00 0.00 1.61 6.56 -1.11 -3.35 116.57 120.28 2sni h LYS 265 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2sni h LYS 265 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2sni h LYS 265 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2sni n GLY 266 N 0.65 0.45 3.73 3.86 0.00 -0.61 -4.32 105.19 108.94 2sni n GLY 266 Ca 0.03 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2sni n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2sni s LEU 267 N 0.00 4.44 0.63 0.99 2.96 -0.68 -1.53 118.68 125.49 2sni s LEU 267 Ca 0.00 1.93 -0.17 0.00 -0.22 0.00 0.00 54.13 55.68 2sni s LEU 267 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2sni s LEU 267 CO 0.00 -0.25 1.14 0.27 -1.32 0.00 0.00 176.35 176.19 2sni s ILE 268 N 0.32 3.05 -0.33 6.68 -4.36 -1.11 -0.90 121.20 124.55 2sni s ILE 268 Ca 0.51 0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 61.44 2sni s ILE 268 Cb -0.27 -3.12 0.12 0.00 1.25 0.00 0.00 42.46 40.45 2sni s ILE 268 CO 0.31 -0.24 0.17 0.21 0.24 0.00 0.00 174.94 175.63 2sni s ASN 269 N -2.18 3.37 0.29 4.36 3.84 -1.26 -4.63 114.94 118.73 2sni s ASN 269 Ca 0.71 -1.81 0.01 0.00 0.21 0.00 0.00 52.86 51.97 2sni s ASN 269 Cb -0.23 -0.48 0.46 0.00 -0.55 0.00 0.00 41.25 40.44 2sni s ASN 269 CO 0.37 -0.37 1.82 1.62 -2.79 0.00 0.00 177.10 177.74 2sni h VAL 270 N 5.75 1.22 0.07 -5.21 3.04 -1.54 0.30 116.25 119.88 2sni h VAL 270 Ca -0.07 -0.89 -0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2sni h VAL 270 Cb 0.99 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2sni h VAL 270 CO 0.37 0.31 -0.03 -0.61 -1.01 0.00 0.00 177.57 176.60 2sni h GLN 271 N 0.64 -0.09 -0.19 4.17 4.15 -1.71 0.12 115.11 122.21 2sni h GLN 271 Ca 0.13 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2sni h GLN 271 Cb 0.38 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2sni h GLN 271 CO 0.01 -0.02 0.05 0.00 -1.93 0.00 0.00 178.83 176.95 2sni h ALA 272 N 0.80 0.25 -0.35 3.38 0.00 -1.82 -3.06 119.26 118.46 2sni h ALA 272 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2sni h ALA 272 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2sni h ALA 272 CO 0.02 -0.11 0.21 0.00 0.00 0.00 0.00 179.25 179.37 2sni h ALA 273 N 0.87 1.71 0.00 0.00 0.00 -0.23 -2.01 119.26 119.60 2sni h ALA 273 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2sni h ALA 273 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2sni h ALA 273 CO -0.00 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2sni h ALA 274 N 1.75 1.00 0.00 0.00 0.00 -0.66 -3.44 119.26 117.90 2sni h ALA 274 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2sni h ALA 274 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2sni h ALA 274 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.27