#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm3 s GLN 2 N 0.00 4.26 0.02 0.00 0.74 -1.10 -4.11 119.66 119.47 1tm3 s GLN 2 Ca 0.00 0.93 0.05 0.00 0.05 0.00 0.00 55.36 56.39 1tm3 s GLN 2 Cb 0.00 -2.74 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 1tm3 s GLN 2 CO 0.00 0.31 -0.13 -1.12 -0.55 0.00 0.00 175.29 173.79 1tm3 s SER 3 N -1.79 4.15 -0.42 6.67 0.01 -0.22 -4.97 113.70 117.13 1tm3 s SER 3 Ca 0.47 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.30 1tm3 s SER 3 Cb -0.15 -0.82 0.03 0.00 0.21 0.00 0.00 66.02 65.29 1tm3 s SER 3 CO 0.20 0.28 0.30 -0.69 0.41 0.00 0.00 173.24 173.74 1tm3 s VAL 4 N -0.93 5.12 0.57 3.43 1.01 -1.26 -2.16 120.40 126.18 1tm3 s VAL 4 Ca 0.15 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1tm3 s VAL 4 Cb -0.11 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1tm3 s VAL 4 CO 0.06 -0.36 1.06 -2.65 0.00 0.00 0.00 175.10 173.21 1tm3 n PRO 5 N 5.14 1.10 0.15 2.72 -0.02 -1.26 -4.86 135.00 137.97 1tm3 n PRO 5 Ca -0.11 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1tm3 n PRO 5 Cb 0.46 -2.25 0.60 0.00 -0.02 0.00 0.00 33.50 32.29 1tm3 n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1tm3 h TYR 6 N 0.78 0.13 -0.04 6.00 -0.00 -1.95 -1.80 116.97 120.09 1tm3 h TYR 6 Ca -0.49 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.14 1tm3 h TYR 6 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 38.02 1tm3 h TYR 6 CO 0.40 0.08 -0.47 0.78 -0.00 0.00 0.00 178.16 178.94 1tm3 h GLY 7 N 0.13 0.09 1.01 0.10 0.00 -1.95 0.14 103.07 102.60 1tm3 h GLY 7 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1tm3 h GLY 7 CO -0.01 0.08 0.04 -2.08 0.00 0.00 0.00 176.54 174.57 1tm3 h VAL 8 N 0.07 1.26 -0.31 4.60 2.07 -1.68 -2.60 116.25 119.66 1tm3 h VAL 8 Ca 0.00 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.37 1tm3 h VAL 8 Cb 0.86 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1tm3 h VAL 8 CO 0.07 0.36 -0.33 0.28 0.02 0.00 0.00 177.57 177.97 1tm3 h SER 9 N 0.76 0.70 -0.34 0.57 0.02 -1.42 -2.67 113.55 111.18 1tm3 h SER 9 Ca 0.15 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1tm3 h SER 9 Cb 0.47 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1tm3 h SER 9 CO 0.02 0.98 0.08 -0.61 -1.14 0.00 0.00 176.83 176.16 1tm3 h GLN 10 N 0.57 0.63 -0.08 3.45 4.15 -0.45 -0.95 115.11 122.43 1tm3 h GLN 10 Ca 0.06 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1tm3 h GLN 10 Cb 0.84 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1tm3 h GLN 10 CO 0.07 0.59 0.00 0.44 -1.93 0.00 0.00 178.83 178.00 1tm3 n ILE 11 N -4.31 0.09 -2.02 2.39 -5.35 -1.01 -4.93 119.36 104.24 1tm3 n ILE 11 Ca 0.03 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 1tm3 n ILE 11 Cb 0.21 0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1tm3 n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1tm3 n LYS 12 N 0.07 -0.60 -0.24 6.28 5.02 -0.36 -1.06 118.16 127.27 1tm3 n LYS 12 Ca 0.18 0.43 0.02 0.00 -2.02 0.00 0.00 58.31 56.91 1tm3 n LYS 12 Cb 0.30 -4.34 0.25 0.00 -0.02 0.00 0.00 35.03 31.22 1tm3 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tm3 h ALA 13 N 0.32 1.49 -0.05 7.82 0.00 -1.69 -2.50 119.26 124.66 1tm3 h ALA 13 Ca -0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1tm3 h ALA 13 Cb 1.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tm3 h ALA 13 CO 0.22 0.44 0.05 -1.35 0.00 0.00 0.00 179.25 178.60 1tm3 h PRO 14 N 1.01 0.00 -0.51 0.00 0.11 -1.88 -0.52 132.00 130.20 1tm3 h PRO 14 Ca 0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.35 1tm3 h PRO 14 Cb -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1tm3 h PRO 14 CO -0.08 0.00 0.06 0.00 -0.21 0.00 0.00 178.00 177.77 1tm3 h ALA 15 N 1.96 1.16 -0.29 -0.75 0.00 -1.84 0.03 119.26 119.52 1tm3 h ALA 15 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1tm3 h ALA 15 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1tm3 h ALA 15 CO -0.00 0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 179.51 1tm3 h LEU 16 N 0.77 0.71 -0.79 0.00 -0.00 -1.21 -2.67 115.31 112.12 1tm3 h LEU 16 Ca 0.16 -0.45 0.06 0.00 -0.00 0.00 0.00 57.88 57.65 1tm3 h LEU 16 Cb 0.37 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.78 1tm3 h LEU 16 CO 0.01 1.00 0.48 0.45 -0.00 0.00 0.00 178.44 180.38 1tm3 h HIS 17 N 0.41 0.88 0.00 1.13 3.86 -0.97 -0.99 115.15 119.48 1tm3 h HIS 17 Ca 0.05 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1tm3 h HIS 17 Cb 0.78 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1tm3 h HIS 17 CO 0.07 0.45 -0.23 0.66 0.86 0.00 0.00 177.93 179.74 1tm3 h SER 18 N 0.88 0.00 1.04 2.45 4.64 -0.93 -0.58 113.55 121.06 1tm3 h SER 18 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1tm3 h SER 18 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1tm3 h SER 18 CO -0.17 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1tm3 n GLN 19 N -3.56 0.21 0.00 4.77 6.02 -0.68 -4.91 117.38 119.22 1tm3 n GLN 19 Ca -0.01 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1tm3 n GLN 19 Cb 0.37 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1tm3 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tm3 n GLY 20 N 0.61 1.17 3.20 1.08 0.00 -0.22 -5.10 105.19 105.92 1tm3 n GLY 20 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1tm3 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tm3 s TYR 21 N -2.00 2.78 -0.01 1.61 2.02 -0.46 -4.96 117.35 116.32 1tm3 s TYR 21 Ca 0.00 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.40 1tm3 s TYR 21 Cb 0.00 -1.91 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1tm3 s TYR 21 CO 0.00 -0.64 0.80 0.25 -1.57 0.00 0.00 175.55 174.39 1tm3 n THR 22 N 4.37 0.27 -0.57 -0.71 -2.24 -1.26 -2.90 114.28 111.24 1tm3 n THR 22 Ca -0.20 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1tm3 n THR 22 Cb 0.51 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1tm3 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tm3 n GLY 23 N -0.18 0.69 3.70 3.38 0.00 -1.26 -1.09 105.19 110.43 1tm3 n GLY 23 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1tm3 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tm3 n SER 24 N 0.36 3.25 -0.46 1.61 2.88 -1.26 -1.93 113.62 118.07 1tm3 n SER 24 Ca 0.00 1.14 -0.06 0.00 -1.33 0.00 0.00 58.87 58.62 1tm3 n SER 24 Cb 0.00 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 61.93 1tm3 n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1tm3 n ASN 25 N 2.27 -4.77 -4.74 -3.46 3.02 -1.26 -4.76 115.26 101.56 1tm3 n ASN 25 Ca 0.11 0.15 -0.35 0.00 -0.03 0.00 0.00 54.58 54.45 1tm3 n ASN 25 Cb 0.34 -2.80 -0.08 0.00 -0.61 0.00 0.00 39.78 36.63 1tm3 n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tm3 s VAL 26 N -1.88 5.32 -0.30 2.41 1.01 -0.81 -4.93 120.40 121.22 1tm3 s VAL 26 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1tm3 s VAL 26 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1tm3 s VAL 26 CO 0.00 0.48 0.31 -0.54 0.00 0.00 0.00 175.10 175.35 1tm3 s LYS 27 N 0.07 3.80 -0.19 2.72 1.02 -1.26 -0.57 119.74 125.31 1tm3 s LYS 27 Ca 0.09 -0.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.80 1tm3 s LYS 27 Cb -0.11 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1tm3 s LYS 27 CO -0.00 -0.35 -0.15 0.08 -0.92 0.00 0.00 175.35 174.00 1tm3 s VAL 28 N 1.94 2.44 -0.21 3.17 1.01 0.12 -0.72 120.40 128.16 1tm3 s VAL 28 Ca 0.11 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1tm3 s VAL 28 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1tm3 s VAL 28 CO 0.11 0.49 0.55 0.00 0.00 0.00 0.00 175.10 176.25 1tm3 s ALA 29 N 1.34 3.55 -0.50 5.51 0.00 0.02 -0.59 121.76 131.09 1tm3 s ALA 29 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1tm3 s ALA 29 Cb -0.14 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 20.19 1tm3 s ALA 29 CO -0.10 -0.50 0.57 0.08 0.00 0.00 0.00 175.76 175.81 1tm3 s VAL 30 N 1.78 4.97 -0.51 0.00 1.01 -0.19 -1.04 120.40 126.42 1tm3 s VAL 30 Ca 0.25 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1tm3 s VAL 30 Cb -0.16 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1tm3 s VAL 30 CO 0.10 -0.77 0.63 -0.63 0.00 0.00 0.00 175.10 174.43 1tm3 s ILE 31 N 2.35 4.86 0.00 2.22 1.01 -0.68 -1.81 121.20 129.16 1tm3 s ILE 31 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1tm3 s ILE 31 Cb -0.21 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1tm3 s ILE 31 CO 0.10 -0.81 0.00 -0.67 0.00 0.00 0.00 174.94 173.55 1tm3 n ASP 32 N 6.19 0.00 -1.07 3.58 -0.08 -0.47 -4.25 116.55 120.46 1tm3 n ASP 32 Ca -0.06 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.27 1tm3 n ASP 32 Cb 0.45 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.12 1tm3 n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1tm3 n SER 33 N 0.00 3.06 0.00 1.67 3.41 -1.26 -0.34 113.62 120.16 1tm3 n SER 33 Ca 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1tm3 n SER 33 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1tm3 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tm3 n GLY 34 N 0.72 0.92 2.78 5.00 0.00 -1.26 -4.33 105.19 109.02 1tm3 n GLY 34 Ca 0.15 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1tm3 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tm3 s ILE 35 N -1.35 -0.06 -0.72 -0.61 1.01 -0.81 -3.48 121.20 115.18 1tm3 s ILE 35 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.61 1tm3 s ILE 35 Cb 0.00 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.36 1tm3 s ILE 35 CO 0.00 0.09 1.83 -0.62 0.00 0.00 0.00 174.94 176.23 1tm3 s ASP 36 N 1.07 5.35 0.41 3.58 2.15 -1.26 -3.98 116.67 123.99 1tm3 s ASP 36 Ca -0.09 -0.10 0.29 0.00 0.43 0.00 0.00 52.55 53.08 1tm3 s ASP 36 Cb -0.13 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.29 1tm3 s ASP 36 CO -0.03 -2.41 1.87 0.77 -0.17 0.00 0.00 175.17 175.19 1tm3 h SER 37 N 13.29 0.00 0.75 -0.34 4.64 -1.90 -2.44 113.55 127.56 1tm3 h SER 37 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1tm3 h SER 37 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1tm3 h SER 37 CO 1.23 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.99 1tm3 n SER 38 N -2.58 0.00 -4.71 4.97 7.64 -1.26 -4.75 113.62 112.93 1tm3 n SER 38 Ca 0.00 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1tm3 n SER 38 Cb 0.18 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1tm3 n SER 38 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tm3 s HIS 39 N -2.80 2.94 -0.80 1.43 2.46 -0.92 -4.88 115.29 112.72 1tm3 s HIS 39 Ca 0.20 0.67 0.18 0.00 0.47 0.00 0.00 55.06 56.58 1tm3 s HIS 39 Cb 0.19 -3.83 0.76 0.00 -0.13 0.00 0.00 32.58 29.56 1tm3 s HIS 39 CO 0.47 -3.10 1.56 -0.35 -2.47 0.00 0.00 174.74 170.85 1tm3 n PRO 40 N 4.52 0.08 -0.64 2.88 -0.04 -1.26 -2.03 135.00 138.50 1tm3 n PRO 40 Ca 0.14 0.32 0.09 0.00 -0.04 0.00 0.00 63.50 64.01 1tm3 n PRO 40 Cb 0.41 -1.65 0.36 0.00 -0.04 0.00 0.00 33.50 32.58 1tm3 n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1tm3 n ASP 41 N -1.79 4.85 -4.10 3.54 2.03 -1.26 -4.91 116.55 114.91 1tm3 n ASP 41 Ca 0.03 -2.52 -0.16 0.00 0.52 0.00 0.00 54.79 52.66 1tm3 n ASP 41 Cb 0.19 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 39.88 1tm3 n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1tm3 s LEU 42 N -1.98 2.22 -0.21 -2.67 1.43 -0.86 -0.83 118.68 115.78 1tm3 s LEU 42 Ca 0.51 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1tm3 s LEU 42 Cb 0.34 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 46.25 1tm3 s LEU 42 CO 0.23 -0.09 -0.06 -0.75 0.23 0.00 0.00 176.35 175.91 1tm3 s LYS 43 N -1.40 1.62 -0.23 1.70 2.20 -1.26 -4.75 119.74 117.62 1tm3 s LYS 43 Ca -0.04 -0.81 -0.14 0.00 -0.36 0.00 0.00 55.97 54.62 1tm3 s LYS 43 Cb -0.09 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1tm3 s LYS 43 CO 0.01 -0.52 0.32 0.08 -0.36 0.00 0.00 175.35 174.88 1tm3 s VAL 44 N 1.48 5.24 -0.24 4.02 1.01 -1.26 -4.25 120.40 126.41 1tm3 s VAL 44 Ca -0.03 0.50 0.20 0.00 0.00 0.00 0.00 61.98 62.66 1tm3 s VAL 44 Cb -0.17 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1tm3 s VAL 44 CO -0.07 0.25 1.15 0.00 0.00 0.00 0.00 175.10 176.43 1tm3 h ALA 45 N 7.65 0.65 0.00 5.51 0.00 -1.04 -3.48 119.26 128.55 1tm3 h ALA 45 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1tm3 h ALA 45 Cb 1.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tm3 h ALA 45 CO 0.67 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1tm3 n GLY 46 N 1.22 -1.25 0.00 0.00 0.00 -1.23 -5.03 105.19 98.91 1tm3 n GLY 46 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1tm3 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tm3 n GLY 47 N 0.00 -0.74 3.55 -0.02 0.00 -1.26 -1.25 105.19 105.47 1tm3 n GLY 47 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1tm3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm3 s ALA 48 N -1.17 -1.87 -0.12 4.61 0.00 -0.52 -4.96 121.76 117.73 1tm3 s ALA 48 Ca 0.00 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1tm3 s ALA 48 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1tm3 s ALA 48 CO 0.00 -0.35 -0.07 0.45 0.00 0.00 0.00 175.76 175.80 1tm3 s SER 49 N -1.20 4.60 0.00 0.00 0.15 -1.26 -1.27 113.70 114.72 1tm3 s SER 49 Ca -0.05 -0.12 0.17 0.00 0.70 0.00 0.00 55.95 56.65 1tm3 s SER 49 Cb -0.00 -1.53 0.48 0.00 -1.71 0.00 0.00 66.02 63.27 1tm3 s SER 49 CO 0.04 0.24 1.40 0.23 1.20 0.00 0.00 173.24 176.35 1tm3 n MET 50 N 3.04 2.80 -3.23 5.44 2.81 0.95 -4.92 117.12 124.00 1tm3 n MET 50 Ca -0.18 -2.37 -0.43 0.00 -1.81 0.00 0.00 57.70 52.92 1tm3 n MET 50 Cb 0.53 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.53 1tm3 n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tm3 s VAL 51 N -1.00 4.98 0.28 2.03 1.01 -1.24 -4.75 120.40 121.71 1tm3 s VAL 51 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1tm3 s VAL 51 Cb 0.19 -4.08 0.26 0.00 0.00 0.00 0.00 36.38 32.75 1tm3 s VAL 51 CO 0.25 -0.44 1.74 -0.65 0.00 0.00 0.00 175.10 176.00 1tm3 h PRO 52 N 8.73 0.54 -0.14 2.72 0.11 -1.97 -1.79 132.00 140.19 1tm3 h PRO 52 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1tm3 h PRO 52 Cb 1.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1tm3 h PRO 52 CO 0.82 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.84 1tm3 n SER 53 N -4.93 2.26 -3.57 -2.05 3.41 -1.26 -4.59 113.62 102.89 1tm3 n SER 53 Ca 0.19 -1.77 -0.28 0.00 -0.26 0.00 0.00 58.87 56.75 1tm3 n SER 53 Cb 0.52 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1tm3 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1tm3 s GLU 54 N -1.83 1.11 0.00 4.33 2.02 -0.67 -5.00 118.70 118.65 1tm3 s GLU 54 Ca 0.34 -2.01 0.28 0.00 0.02 0.00 0.00 54.97 53.61 1tm3 s GLU 54 Cb 0.20 -1.90 1.15 0.00 0.10 0.00 0.00 34.13 33.68 1tm3 s GLU 54 CO 0.30 -1.26 1.83 0.25 0.02 0.00 0.00 175.26 176.40 1tm3 n THR 55 N 3.28 0.00 -3.43 3.63 -2.24 -1.26 -4.41 114.28 109.85 1tm3 n THR 55 Ca 0.17 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1tm3 n THR 55 Cb 0.39 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1tm3 n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1tm3 s ASN 56 N -2.71 6.12 0.13 3.42 3.84 -1.26 -4.49 114.94 119.99 1tm3 s ASN 56 Ca 0.22 -1.00 0.20 0.00 0.21 0.00 0.00 52.86 52.49 1tm3 s ASN 56 Cb 0.19 -2.17 0.82 0.00 -0.55 0.00 0.00 41.25 39.55 1tm3 s ASN 56 CO 0.52 -0.51 1.61 -0.81 -2.79 0.00 0.00 177.10 175.13 1tm3 n PRO 57 N 5.19 0.10 -0.29 0.43 -0.04 -1.26 -2.82 135.00 136.31 1tm3 n PRO 57 Ca -0.11 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1tm3 n PRO 57 Cb 0.46 -1.68 0.27 0.00 -0.04 0.00 0.00 33.50 32.51 1tm3 n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tm3 n PHE 58 N -1.87 0.77 -4.17 0.54 3.72 -1.26 -1.92 117.46 113.27 1tm3 n PHE 58 Ca 0.03 -0.38 -0.34 0.00 -0.05 0.00 0.00 57.45 56.71 1tm3 n PHE 58 Cb 0.22 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.60 1tm3 n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1tm3 s GLN 59 N -1.23 3.17 -0.40 -1.08 0.74 -1.13 -2.95 119.66 116.78 1tm3 s GLN 59 Ca 0.41 -0.75 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 1tm3 s GLN 59 Cb 0.22 -2.72 0.10 0.00 1.10 0.00 0.00 33.01 31.71 1tm3 s GLN 59 CO 0.29 -0.15 0.18 0.34 -0.55 0.00 0.00 175.29 175.41 1tm3 s ASP 60 N 1.22 5.24 0.00 6.67 2.15 -1.26 -4.62 116.67 126.07 1tm3 s ASP 60 Ca 0.02 -1.92 0.26 0.00 0.43 0.00 0.00 52.55 51.35 1tm3 s ASP 60 Cb -0.14 -1.82 1.17 0.00 -0.30 0.00 0.00 42.92 41.82 1tm3 s ASP 60 CO -0.07 -0.51 1.79 0.59 -0.17 0.00 0.00 175.17 176.81 1tm3 n ASN 61 N 4.61 1.03 -0.10 -0.34 3.02 -1.26 -4.09 115.26 118.13 1tm3 n ASN 61 Ca -0.04 -1.43 -0.20 0.00 -0.03 0.00 0.00 54.58 52.88 1tm3 n ASN 61 Cb 0.42 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.49 1tm3 n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1tm3 n ASN 62 N -0.16 1.47 0.00 6.41 2.85 -1.26 -4.74 115.26 119.83 1tm3 n ASN 62 Ca 0.19 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1tm3 n ASN 62 Cb 0.26 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.74 1tm3 n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1tm3 n SER 63 N -3.79 0.00 -0.02 1.20 3.41 -1.26 -4.99 113.62 108.17 1tm3 n SER 63 Ca -0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.11 1tm3 n SER 63 Cb 0.78 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 1tm3 n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1tm3 h HIS 64 N 0.00 0.12 -0.36 7.33 6.17 -1.93 -2.33 115.15 124.15 1tm3 h HIS 64 Ca 0.00 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 1tm3 h HIS 64 Cb 0.00 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 1tm3 h HIS 64 CO 0.00 0.41 0.20 0.78 0.71 0.00 0.00 177.93 180.03 1tm3 h GLY 65 N -0.21 0.52 1.20 5.26 0.00 -1.87 -1.09 103.07 106.88 1tm3 h GLY 65 Ca 0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1tm3 h GLY 65 CO 0.00 0.21 -0.39 -0.84 0.00 0.00 0.00 176.54 175.52 1tm3 h THR 66 N 0.49 1.28 -0.02 4.70 2.02 -1.54 -0.10 112.91 119.74 1tm3 h THR 66 Ca 0.13 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 1tm3 h THR 66 Cb 0.01 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1tm3 h THR 66 CO -0.02 0.52 0.00 -0.74 0.37 0.00 0.00 175.52 175.65 1tm3 h HIS 67 N 0.71 0.03 -0.64 3.16 6.17 -0.85 -1.80 115.15 121.93 1tm3 h HIS 67 Ca 0.06 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.18 1tm3 h HIS 67 Cb 0.97 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 30.84 1tm3 h HIS 67 CO 0.06 0.28 0.36 0.28 0.71 0.00 0.00 177.93 179.62 1tm3 h VAL 68 N -0.23 0.98 -0.98 5.26 2.07 -1.19 -2.18 116.25 119.98 1tm3 h VAL 68 Ca 0.01 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1tm3 h VAL 68 Cb 0.27 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1tm3 h VAL 68 CO 0.00 0.12 0.65 0.00 0.02 0.00 0.00 177.57 178.36 1tm3 h ALA 69 N 1.32 1.31 -0.17 1.67 0.00 -0.85 -2.15 119.26 120.40 1tm3 h ALA 69 Ca 0.28 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1tm3 h ALA 69 Cb 0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1tm3 h ALA 69 CO -0.16 0.63 -0.19 0.78 0.00 0.00 0.00 179.25 180.31 1tm3 h GLY 70 N 1.32 0.30 1.12 0.00 0.00 -0.71 -0.05 103.07 105.04 1tm3 h GLY 70 Ca 0.37 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 1tm3 h GLY 70 CO -0.08 0.19 -0.24 -0.84 0.00 0.00 0.00 176.54 175.57 1tm3 h THR 71 N 0.26 1.27 -0.20 4.70 2.02 -0.96 -0.99 112.91 119.01 1tm3 h THR 71 Ca 0.05 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1tm3 h THR 71 Cb 0.49 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1tm3 h THR 71 CO 0.03 0.49 0.10 0.58 0.37 0.00 0.00 175.52 177.09 1tm3 h VAL 72 N 0.85 1.12 0.00 3.16 2.07 -0.95 -0.99 116.25 121.52 1tm3 h VAL 72 Ca 0.10 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1tm3 h VAL 72 Cb 0.83 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.48 1tm3 h VAL 72 CO 0.07 0.11 -0.37 0.00 0.02 0.00 0.00 177.57 177.41 1tm3 n ALA 73 N -2.20 2.61 -1.66 1.67 0.00 -0.07 -0.26 120.51 120.60 1tm3 n ALA 73 Ca -0.04 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1tm3 n ALA 73 Cb 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 1tm3 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm3 n ALA 74 N 0.09 0.74 -1.77 0.00 0.00 -0.38 -4.60 120.51 114.58 1tm3 n ALA 74 Ca -0.08 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 1tm3 n ALA 74 Cb 0.71 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1tm3 n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tm3 s LEU 75 N -0.75 3.77 -0.48 0.00 1.43 -0.01 -0.86 118.68 121.77 1tm3 s LEU 75 Ca 0.59 2.22 -0.23 0.00 -1.03 0.00 0.00 54.13 55.68 1tm3 s LEU 75 Cb -0.58 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.13 1tm3 s LEU 75 CO 0.60 -1.22 0.81 0.21 0.23 0.00 0.00 176.35 176.98 1tm3 s ASN 76 N -1.70 6.37 0.00 2.29 2.47 -1.26 -4.58 114.94 118.53 1tm3 s ASN 76 Ca 0.72 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.73 1tm3 s ASN 76 Cb -0.25 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1tm3 s ASN 76 CO 0.28 -1.00 0.00 -0.46 -3.72 0.00 0.00 177.10 172.20 1tm3 n ASN 77 N 6.87 0.00 -1.53 -4.21 0.23 -1.26 -5.05 115.26 110.31 1tm3 n ASN 77 Ca 0.01 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.14 1tm3 n ASN 77 Cb 0.48 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.53 1tm3 n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1tm3 n SER 78 N 0.00 4.94 -4.28 0.53 3.41 -1.26 -4.46 113.62 112.49 1tm3 n SER 78 Ca 0.00 -2.77 -0.17 0.00 -0.26 0.00 0.00 58.87 55.67 1tm3 n SER 78 Cb 0.00 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.24 1tm3 n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1tm3 s ILE 79 N -2.43 1.44 0.00 -1.33 -4.36 -1.26 -2.09 121.20 111.16 1tm3 s ILE 79 Ca 0.50 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1tm3 s ILE 79 Cb 0.36 -1.79 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1tm3 s ILE 79 CO 0.17 -0.56 0.00 0.61 0.24 0.00 0.00 174.94 175.40 1tm3 n GLY 80 N 0.04 3.09 3.86 6.27 0.00 -1.26 -4.51 105.19 112.68 1tm3 n GLY 80 Ca -0.12 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1tm3 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tm3 s VAL 81 N 0.00 2.06 -0.09 1.61 -7.23 -1.26 -1.06 120.40 114.44 1tm3 s VAL 81 Ca 0.00 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1tm3 s VAL 81 Cb 0.00 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1tm3 s VAL 81 CO 0.00 0.00 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.42 1tm3 s LEU 82 N -4.15 2.67 0.69 1.32 2.96 -0.92 -4.45 118.68 116.79 1tm3 s LEU 82 Ca 0.39 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1tm3 s LEU 82 Cb -0.01 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.14 1tm3 s LEU 82 CO 0.23 0.25 1.04 -0.83 -1.32 0.00 0.00 176.35 175.72 1tm3 s GLY 83 N -0.15 1.62 0.17 7.98 0.00 -0.04 -4.58 107.32 112.31 1tm3 s GLY 83 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.03 1tm3 s GLY 83 CO 0.03 -0.19 1.73 -2.08 0.00 0.00 0.00 173.10 172.59 1tm3 h VAL 84 N -0.56 1.22 -2.44 1.40 2.07 -1.04 -3.35 116.25 113.54 1tm3 h VAL 84 Ca -0.45 -0.66 -0.60 0.00 0.82 0.00 0.00 66.70 65.82 1tm3 h VAL 84 Cb 1.27 0.60 -0.41 0.00 -1.52 0.00 0.00 31.29 31.24 1tm3 h VAL 84 CO 0.63 0.26 -0.76 0.00 0.02 0.00 0.00 177.57 177.71 1tm3 n ALA 85 N -2.35 3.33 0.34 1.67 0.00 0.64 -4.90 120.51 119.25 1tm3 n ALA 85 Ca 0.03 -4.12 0.12 0.00 0.00 0.00 0.00 53.44 49.47 1tm3 n ALA 85 Cb 0.15 -0.89 0.52 0.00 0.00 0.00 0.00 19.45 19.23 1tm3 n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1tm3 n PRO 86 N 1.65 0.19 -0.15 0.00 -0.04 -1.03 -1.62 135.00 133.99 1tm3 n PRO 86 Ca 0.25 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 1tm3 n PRO 86 Cb 0.43 -1.91 0.22 0.00 -0.04 0.00 0.00 33.50 32.20 1tm3 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tm3 n SER 87 N -2.28 3.24 -4.74 3.54 7.64 -0.25 -4.46 113.62 116.30 1tm3 n SER 87 Ca 0.01 -1.97 -0.35 0.00 1.01 0.00 0.00 58.87 57.58 1tm3 n SER 87 Cb 0.19 -0.20 0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1tm3 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tm3 s ALA 88 N -1.59 2.31 -0.46 -0.43 0.00 -0.64 -4.04 121.76 116.91 1tm3 s ALA 88 Ca 0.37 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1tm3 s ALA 88 Cb 0.22 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1tm3 s ALA 88 CO 0.31 -1.55 0.91 -1.12 0.00 0.00 0.00 175.76 174.31 1tm3 s SER 89 N -2.00 6.49 -0.20 0.00 0.01 0.26 -4.96 113.70 113.29 1tm3 s SER 89 Ca 0.74 0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.97 1tm3 s SER 89 Cb -0.28 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1tm3 s SER 89 CO 0.41 -1.03 0.27 -0.22 0.41 0.00 0.00 173.24 173.08 1tm3 s LEU 90 N 3.69 4.17 -0.13 2.44 2.96 -1.26 -0.71 118.68 129.84 1tm3 s LEU 90 Ca 0.36 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1tm3 s LEU 90 Cb -0.10 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.27 1tm3 s LEU 90 CO 0.26 0.04 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.84 1tm3 s TYR 91 N 0.90 2.73 -0.49 5.38 1.51 0.25 -0.34 117.35 127.28 1tm3 s TYR 91 Ca 0.14 -0.97 -0.22 0.00 -1.01 0.00 0.00 57.07 55.01 1tm3 s TYR 91 Cb -0.13 -1.83 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1tm3 s TYR 91 CO 0.05 -0.41 0.78 0.00 -1.11 0.00 0.00 175.55 174.86 1tm3 s ALA 92 N 0.58 3.28 -0.53 3.71 0.00 -0.38 -1.02 121.76 127.40 1tm3 s ALA 92 Ca -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 1tm3 s ALA 92 Cb -0.16 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.60 1tm3 s ALA 92 CO 0.03 -2.06 0.35 0.08 0.00 0.00 0.00 175.76 174.17 1tm3 s VAL 93 N 3.28 3.79 -0.36 0.00 1.01 -0.75 -1.44 120.40 125.92 1tm3 s VAL 93 Ca 0.26 -2.34 -0.26 0.00 0.00 0.00 0.00 61.98 59.63 1tm3 s VAL 93 Cb -0.14 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1tm3 s VAL 93 CO 0.19 -0.80 0.96 -0.75 0.00 0.00 0.00 175.10 174.70 1tm3 s LYS 94 N 0.70 3.88 0.00 2.72 2.20 -0.39 -1.37 119.74 127.48 1tm3 s LYS 94 Ca 0.11 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1tm3 s LYS 94 Cb -0.22 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1tm3 s LYS 94 CO -0.03 -0.95 0.30 1.33 -0.36 0.00 0.00 175.35 175.64 1tm3 n VAL 95 N 5.98 0.00 -4.94 4.02 0.24 0.54 -0.04 118.33 124.15 1tm3 n VAL 95 Ca 0.08 -0.32 -0.28 0.00 -2.04 0.00 0.00 64.34 61.78 1tm3 n VAL 95 Cb 0.48 1.35 -0.15 0.00 -1.47 0.00 0.00 33.84 34.05 1tm3 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1tm3 s LEU 96 N -0.06 2.12 0.00 1.34 1.43 -0.94 -4.34 118.68 118.23 1tm3 s LEU 96 Ca 0.00 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1tm3 s LEU 96 Cb 0.00 -1.16 0.09 0.00 0.03 0.00 0.00 46.19 45.15 1tm3 s LEU 96 CO 0.00 0.24 0.56 0.61 0.23 0.00 0.00 176.35 177.99 1tm3 n GLY 97 N 2.11 0.08 0.39 -3.19 0.00 -0.68 -4.41 105.19 99.48 1tm3 n GLY 97 Ca -0.16 -1.90 0.19 0.00 0.00 0.00 0.00 46.02 44.15 1tm3 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm3 h ALA 98 N -0.95 2.04 0.00 4.61 0.00 -1.89 0.42 119.26 123.49 1tm3 h ALA 98 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1tm3 h ALA 98 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tm3 h ALA 98 CO 0.17 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 178.61 1tm3 n ASP 99 N -4.66 0.00 0.00 0.00 5.68 -1.26 -4.33 116.55 111.98 1tm3 n ASP 99 Ca 0.24 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1tm3 n ASP 99 Cb 0.75 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 1tm3 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tm3 n GLY 100 N 0.72 0.64 3.41 6.12 0.00 0.14 -5.04 105.19 111.19 1tm3 n GLY 100 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1tm3 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tm3 s SER 101 N -2.18 3.29 0.04 1.61 1.04 -1.26 -4.84 113.70 111.41 1tm3 s SER 101 Ca 0.00 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.44 1tm3 s SER 101 Cb 0.00 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.89 1tm3 s SER 101 CO 0.00 0.08 0.22 -0.83 0.98 0.00 0.00 173.24 173.69 1tm3 s GLY 102 N -2.77 0.00 0.44 7.32 0.00 -1.26 -1.69 107.32 109.36 1tm3 s GLY 102 Ca 0.21 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.46 1tm3 s GLY 102 CO 0.10 -0.43 1.08 1.20 0.00 0.00 0.00 173.10 175.04 1tm3 s GLN 103 N -2.67 3.95 0.29 2.90 -1.52 -1.26 -4.94 119.66 116.42 1tm3 s GLN 103 Ca -0.04 1.54 0.04 0.00 -1.95 0.00 0.00 55.36 54.95 1tm3 s GLN 103 Cb -0.01 -2.38 0.70 0.00 -0.22 0.00 0.00 33.01 31.10 1tm3 s GLN 103 CO -0.04 -0.33 1.77 1.88 -0.25 0.00 0.00 175.29 178.31 1tm3 h TYR 104 N 2.11 1.00 -0.24 0.91 -1.99 -2.00 0.09 116.97 116.84 1tm3 h TYR 104 Ca -0.49 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.25 1tm3 h TYR 104 Cb 1.23 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1tm3 h TYR 104 CO 0.56 0.22 0.02 0.66 -0.00 0.00 0.00 178.16 179.62 1tm3 h SER 105 N 0.73 0.33 -0.40 3.88 4.64 -1.99 -0.88 113.55 119.86 1tm3 h SER 105 Ca 0.56 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1tm3 h SER 105 Cb 0.85 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1tm3 h SER 105 CO -0.38 0.37 -0.10 -0.50 -0.87 0.00 0.00 176.83 175.35 1tm3 h TRP 106 N 0.35 0.87 -0.40 4.77 6.55 -1.28 -0.21 115.95 126.59 1tm3 h TRP 106 Ca 0.08 -0.19 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 1tm3 h TRP 106 Cb 0.21 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 1tm3 h TRP 106 CO 0.01 0.90 0.15 0.82 -1.05 0.00 0.00 178.44 179.27 1tm3 h ILE 107 N 0.58 1.20 -0.50 1.49 5.03 -1.18 -1.54 117.51 122.59 1tm3 h ILE 107 Ca 0.10 -0.63 -0.01 0.00 -0.12 0.00 0.00 64.86 64.20 1tm3 h ILE 107 Cb 0.63 0.86 -0.02 0.00 -3.03 0.00 0.00 36.82 35.26 1tm3 h ILE 107 CO 0.04 0.23 0.27 0.40 -0.68 0.00 0.00 178.15 178.41 1tm3 h ILE 108 N 0.51 1.17 -0.97 -0.67 2.04 -1.06 -0.46 117.51 118.06 1tm3 h ILE 108 Ca 0.13 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1tm3 h ILE 108 Cb 0.21 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1tm3 h ILE 108 CO -0.01 0.19 0.63 0.78 0.00 0.00 0.00 178.15 179.74 1tm3 h ASN 109 N 0.67 1.00 -0.42 1.72 2.35 -0.80 0.51 115.58 120.61 1tm3 h ASN 109 Ca 0.18 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1tm3 h ASN 109 Cb 0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1tm3 h ASN 109 CO -0.03 0.64 -0.01 1.23 -1.65 0.00 0.00 177.43 177.61 1tm3 h GLY 110 N 1.13 0.81 0.98 2.83 0.00 -0.62 -0.04 103.07 108.17 1tm3 h GLY 110 Ca 0.42 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1tm3 h GLY 110 CO -0.16 0.56 0.20 -2.22 0.00 0.00 0.00 176.54 174.92 1tm3 h ILE 111 N 0.59 1.11 -1.00 2.60 2.04 -0.63 -0.72 117.51 121.50 1tm3 h ILE 111 Ca 0.12 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1tm3 h ILE 111 Cb 0.51 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1tm3 h ILE 111 CO 0.02 0.11 0.65 -0.33 0.00 0.00 0.00 178.15 178.61 1tm3 h GLU 112 N 0.43 1.22 -0.67 2.37 4.39 -0.76 -1.42 114.58 120.14 1tm3 h GLU 112 Ca 0.12 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1tm3 h GLU 112 Cb 0.00 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 1tm3 h GLU 112 CO -0.02 0.81 0.33 2.35 -1.16 0.00 0.00 179.01 181.32 1tm3 h TRP 113 N 1.26 0.96 -0.68 4.33 7.01 -0.68 -0.90 115.95 127.25 1tm3 h TRP 113 Ca 0.40 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.35 1tm3 h TRP 113 Cb 0.02 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.75 1tm3 h TRP 113 CO -0.00 0.71 0.37 0.00 -2.79 0.00 0.00 178.44 176.73 1tm3 h ALA 114 N 1.16 0.87 -0.03 2.65 0.00 -0.43 -0.83 119.26 122.65 1tm3 h ALA 114 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tm3 h ALA 114 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1tm3 h ALA 114 CO -0.03 0.39 0.01 0.82 0.00 0.00 0.00 179.25 180.44 1tm3 h ILE 115 N 0.93 1.12 0.00 0.00 2.04 -1.01 -1.72 117.51 118.88 1tm3 h ILE 115 Ca 0.24 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1tm3 h ILE 115 Cb 0.05 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1tm3 h ILE 115 CO -0.04 0.10 -0.09 0.00 0.00 0.00 0.00 178.15 178.12 1tm3 h ALA 116 N 0.86 1.73 -0.61 1.87 0.00 -0.89 -2.40 119.26 119.82 1tm3 h ALA 116 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tm3 h ALA 116 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tm3 h ALA 116 CO -0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1tm3 n ASN 117 N -4.25 4.16 -3.51 0.00 3.02 -0.34 -4.97 115.26 109.37 1tm3 n ASN 117 Ca -0.03 -2.31 -0.23 0.00 -0.03 0.00 0.00 54.58 51.99 1tm3 n ASN 117 Cb 0.17 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1tm3 n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tm3 n ASN 118 N 1.11 -6.04 -4.77 6.41 3.02 -0.90 -4.97 115.26 109.12 1tm3 n ASN 118 Ca 0.23 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.85 1tm3 n ASN 118 Cb 0.76 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1tm3 n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tm3 s MET 119 N -6.23 3.94 0.01 3.52 -1.94 -0.68 -4.86 119.30 113.07 1tm3 s MET 119 Ca 0.54 2.32 0.06 0.00 -1.71 0.00 0.00 55.69 56.90 1tm3 s MET 119 Cb -0.24 -2.80 -0.24 0.00 2.01 0.00 0.00 34.83 33.57 1tm3 s MET 119 CO 0.71 -0.57 0.87 -0.44 -0.01 0.00 0.00 175.02 175.58 1tm3 h ASP 120 N 2.70 0.13 -3.67 3.03 3.32 -1.27 -3.43 116.42 117.23 1tm3 h ASP 120 Ca -0.50 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 56.11 1tm3 h ASP 120 Cb 1.25 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 1tm3 h ASP 120 CO 0.63 1.17 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.96 1tm3 s VAL 121 N -2.63 -0.02 -0.12 -1.35 1.01 -0.66 -1.33 120.40 115.30 1tm3 s VAL 121 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1tm3 s VAL 121 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.35 1tm3 s VAL 121 CO 0.83 0.03 -0.12 -0.63 0.00 0.00 0.00 175.10 175.21 1tm3 s ILE 122 N 0.36 3.19 -0.16 2.22 1.01 0.38 -0.80 121.20 127.40 1tm3 s ILE 122 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1tm3 s ILE 122 Cb -0.04 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1tm3 s ILE 122 CO -0.01 0.54 -0.05 0.21 0.00 0.00 0.00 174.94 175.63 1tm3 s ASN 123 N 0.09 4.62 -0.45 3.58 2.47 -0.21 -1.12 114.94 123.92 1tm3 s ASN 123 Ca -0.05 -0.20 0.03 0.00 0.42 0.00 0.00 52.86 53.07 1tm3 s ASN 123 Cb -0.14 -1.76 0.12 0.00 -1.45 0.00 0.00 41.25 38.02 1tm3 s ASN 123 CO 0.04 0.14 0.20 -0.04 -3.72 0.00 0.00 177.10 173.72 1tm3 s MET 124 N 0.55 1.66 -1.42 0.43 -1.94 0.38 -1.68 119.30 117.27 1tm3 s MET 124 Ca -0.04 -2.26 -0.07 0.00 -1.71 0.00 0.00 55.69 51.62 1tm3 s MET 124 Cb -0.15 -3.02 0.05 0.00 2.01 0.00 0.00 34.83 33.73 1tm3 s MET 124 CO 0.03 -1.08 2.55 0.43 -0.01 0.00 0.00 175.02 176.94 1tm3 n SER 125 N 3.53 8.13 -3.74 3.03 7.64 -1.26 -1.71 113.62 129.23 1tm3 n SER 125 Ca 0.05 -2.96 -0.10 0.00 1.01 0.00 0.00 58.87 56.88 1tm3 n SER 125 Cb 0.35 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 1tm3 n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1tm3 s LEU 126 N -1.27 0.21 -0.12 -3.43 0.05 -1.26 -4.82 118.68 108.03 1tm3 s LEU 126 Ca 0.59 -0.49 -0.33 0.00 0.05 0.00 0.00 54.13 53.94 1tm3 s LEU 126 Cb 0.18 2.00 0.14 0.00 -2.05 0.00 0.00 46.19 46.46 1tm3 s LEU 126 CO -0.08 -1.01 1.33 -0.83 -0.55 0.00 0.00 176.35 175.21 1tm3 s GLY 127 N -2.87 -0.37 0.12 -3.48 0.00 -1.26 -4.49 107.32 94.96 1tm3 s GLY 127 Ca 0.09 1.16 -0.10 0.00 0.00 0.00 0.00 44.72 45.88 1tm3 s GLY 127 CO -0.04 0.31 0.25 -0.32 0.00 0.00 0.00 173.10 173.30 1tm3 s GLY 128 N -2.65 0.18 0.40 0.20 0.00 -0.21 -4.94 107.32 100.31 1tm3 s GLY 128 Ca 0.13 -0.65 0.28 0.00 0.00 0.00 0.00 44.72 44.48 1tm3 s GLY 128 CO -0.04 -0.76 1.83 -0.56 0.00 0.00 0.00 173.10 173.57 1tm3 h PRO 129 N 2.64 0.00 -6.58 2.90 0.13 -1.96 0.24 132.00 129.38 1tm3 h PRO 129 Ca -0.33 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 1tm3 h PRO 129 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1tm3 h PRO 129 CO 0.52 0.00 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.42 1tm3 s SER 130 N -5.09 4.24 0.53 1.44 0.01 -1.26 -4.76 113.70 108.82 1tm3 s SER 130 Ca 0.04 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1tm3 s SER 130 Cb 0.09 -0.77 0.07 0.00 0.21 0.00 0.00 66.02 65.63 1tm3 s SER 130 CO 0.50 0.19 0.52 0.61 0.41 0.00 0.00 173.24 175.47 1tm3 n GLY 131 N 0.85 0.89 3.23 3.44 0.00 -1.26 -4.70 105.19 107.64 1tm3 n GLY 131 Ca -0.14 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 1tm3 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tm3 s SER 132 N -3.13 -0.08 0.26 1.61 1.04 -1.26 -5.02 113.70 107.12 1tm3 s SER 132 Ca 0.35 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 1tm3 s SER 132 Cb -0.02 0.34 0.37 0.00 0.10 0.00 0.00 66.02 66.81 1tm3 s SER 132 CO 0.23 -0.59 1.89 0.00 0.98 0.00 0.00 173.24 175.75 1tm3 h ALA 133 N 3.31 1.37 -0.42 5.32 0.00 -2.01 -1.04 119.26 125.79 1tm3 h ALA 133 Ca -0.32 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1tm3 h ALA 133 Cb 1.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1tm3 h ALA 133 CO 0.46 0.50 -0.14 0.00 0.00 0.00 0.00 179.25 180.08 1tm3 h ALA 134 N 1.43 0.97 -0.19 0.00 0.00 -1.99 -0.15 119.26 119.34 1tm3 h ALA 134 Ca 0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1tm3 h ALA 134 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1tm3 h ALA 134 CO -0.15 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 1tm3 h LEU 135 N 0.69 0.33 -1.07 0.00 5.85 -1.78 -2.02 115.31 117.31 1tm3 h LEU 135 Ca 0.11 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1tm3 h LEU 135 Cb 0.62 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1tm3 h LEU 135 CO 0.04 0.57 0.63 0.50 -0.34 0.00 0.00 178.44 179.84 1tm3 h LYS 136 N 0.09 1.22 -0.36 1.25 3.64 -1.06 -2.01 116.57 119.34 1tm3 h LYS 136 Ca 0.05 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1tm3 h LYS 136 Cb 0.40 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1tm3 h LYS 136 CO 0.01 0.81 -0.16 0.00 -2.27 0.00 0.00 179.45 177.84 1tm3 h ALA 137 N 1.42 1.05 -0.12 5.00 0.00 -0.86 -0.98 119.26 124.77 1tm3 h ALA 137 Ca 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1tm3 h ALA 137 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1tm3 h ALA 137 CO -0.09 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1tm3 h ALA 138 N 1.24 0.16 -0.62 0.00 0.00 -0.83 0.62 119.26 119.84 1tm3 h ALA 138 Ca 0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1tm3 h ALA 138 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1tm3 h ALA 138 CO 0.04 -0.09 0.03 -0.39 0.00 0.00 0.00 179.25 178.83 1tm3 h VAL 139 N -0.09 1.26 -0.49 0.00 -1.51 -1.31 -1.18 116.25 112.95 1tm3 h VAL 139 Ca 0.03 -1.12 -0.08 0.00 -1.23 0.00 0.00 66.70 64.30 1tm3 h VAL 139 Cb 0.45 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1tm3 h VAL 139 CO 0.01 0.41 -0.03 0.44 -1.23 0.00 0.00 177.57 177.18 1tm3 h ASP 140 N 0.98 0.80 -0.49 4.19 3.32 -1.13 -1.53 116.42 122.56 1tm3 h ASP 140 Ca 0.18 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1tm3 h ASP 140 Cb 0.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1tm3 h ASP 140 CO 0.03 0.88 0.17 0.50 -1.72 0.00 0.00 179.24 179.10 1tm3 h LYS 141 N 0.77 0.75 -0.56 3.56 3.64 -0.59 0.83 116.57 124.97 1tm3 h LYS 141 Ca 0.14 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1tm3 h LYS 141 Cb 0.50 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1tm3 h LYS 141 CO 0.03 0.69 0.37 0.00 -2.27 0.00 0.00 179.45 178.27 1tm3 h ALA 142 N 1.03 0.71 -0.47 5.00 0.00 -0.87 -0.51 119.26 124.15 1tm3 h ALA 142 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1tm3 h ALA 142 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tm3 h ALA 142 CO -0.01 0.14 -0.25 0.28 0.00 0.00 0.00 179.25 179.41 1tm3 h VAL 143 N 0.75 1.27 -0.07 0.00 2.07 -1.11 -1.22 116.25 117.94 1tm3 h VAL 143 Ca 0.21 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1tm3 h VAL 143 Cb -0.08 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1tm3 h VAL 143 CO -0.05 0.49 -0.08 0.00 0.02 0.00 0.00 177.57 177.95 1tm3 h ALA 144 N 0.85 1.75 -0.00 1.67 0.00 -0.47 -1.56 119.26 121.51 1tm3 h ALA 144 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tm3 h ALA 144 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1tm3 h ALA 144 CO 0.07 0.19 -0.02 0.43 0.00 0.00 0.00 179.25 179.92 1tm3 n SER 145 N -4.39 0.22 0.00 0.00 7.64 -0.23 -4.92 113.62 111.93 1tm3 n SER 145 Ca -0.02 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1tm3 n SER 145 Cb 0.19 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1tm3 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tm3 n GLY 146 N 1.13 0.69 3.75 0.23 0.00 -0.58 -5.07 105.19 105.34 1tm3 n GLY 146 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1tm3 n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tm3 s VAL 147 N -2.00 4.63 -0.21 1.61 1.01 -0.50 -4.11 120.40 120.82 1tm3 s VAL 147 Ca 0.00 1.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 1tm3 s VAL 147 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1tm3 s VAL 147 CO 0.00 0.41 0.97 -0.69 0.00 0.00 0.00 175.10 175.79 1tm3 s VAL 148 N -0.36 4.75 -0.22 2.92 1.01 -0.45 -4.22 120.40 123.83 1tm3 s VAL 148 Ca 0.38 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 1tm3 s VAL 148 Cb -0.21 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1tm3 s VAL 148 CO 0.24 -0.11 -0.06 -0.69 0.00 0.00 0.00 175.10 174.48 1tm3 s VAL 149 N 2.86 3.26 -0.02 2.92 1.01 -1.26 -0.47 120.40 128.69 1tm3 s VAL 149 Ca 0.42 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1tm3 s VAL 149 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1tm3 s VAL 149 CO 0.09 0.43 -0.23 -0.69 0.00 0.00 0.00 175.10 174.70 1tm3 s VAL 150 N 1.46 1.81 0.04 2.92 1.01 -0.27 -1.37 120.40 125.99 1tm3 s VAL 150 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1tm3 s VAL 150 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1tm3 s VAL 150 CO -0.04 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.62 1tm3 s ALA 151 N -0.45 0.08 0.37 5.51 0.00 -0.15 -0.47 121.76 126.64 1tm3 s ALA 151 Ca 0.06 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 1tm3 s ALA 151 Cb -0.10 0.24 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 1tm3 s ALA 151 CO -0.00 -0.30 1.42 0.00 0.00 0.00 0.00 175.76 176.87 1tm3 s ALA 152 N -2.70 3.52 0.36 0.00 0.00 -0.70 -1.27 121.76 120.98 1tm3 s ALA 152 Ca -0.04 1.46 0.11 0.00 0.00 0.00 0.00 51.96 53.49 1tm3 s ALA 152 Cb -0.01 -3.56 0.68 0.00 0.00 0.00 0.00 23.12 20.23 1tm3 s ALA 152 CO -0.05 -0.92 1.82 0.00 0.00 0.00 0.00 175.76 176.60 1tm3 h ALA 153 N 3.07 1.35 0.00 0.00 0.00 -1.25 -3.40 119.26 119.03 1tm3 h ALA 153 Ca -0.50 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1tm3 h ALA 153 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tm3 h ALA 153 CO 0.64 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1tm3 n GLY 154 N -0.47 2.92 2.21 0.00 0.00 -1.26 -1.42 105.19 107.16 1tm3 n GLY 154 Ca -0.02 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 1tm3 n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tm3 n ASN 155 N 0.00 5.01 -0.39 1.61 3.02 -1.26 -1.34 115.26 121.91 1tm3 n ASN 155 Ca 0.00 -3.74 0.13 0.00 -0.03 0.00 0.00 54.58 50.93 1tm3 n ASN 155 Cb 0.00 -0.42 0.29 0.00 -0.61 0.00 0.00 39.78 39.04 1tm3 n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tm3 n GLU 156 N -0.64 1.15 0.00 3.52 -0.58 -0.97 -4.76 120.64 118.36 1tm3 n GLU 156 Ca 0.43 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 1tm3 n GLU 156 Cb 0.84 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1tm3 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tm3 n GLY 157 N 1.34 1.26 3.96 0.62 0.00 -0.27 -4.79 105.19 107.31 1tm3 n GLY 157 Ca 0.13 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1tm3 n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tm3 s THR 158 N 0.00 5.19 -0.44 2.61 -4.23 -1.26 -3.89 115.64 113.61 1tm3 s THR 158 Ca 0.00 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1tm3 s THR 158 Cb 0.00 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1tm3 s THR 158 CO 0.00 -0.33 0.88 -0.24 -0.54 0.00 0.00 174.62 174.39 1tm3 n SER 159 N -1.41 -1.60 0.00 3.99 2.88 -1.26 -5.09 113.62 111.14 1tm3 n SER 159 Ca -0.09 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.16 1tm3 n SER 159 Cb 0.57 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 1tm3 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tm3 n GLY 160 N 0.96 3.77 1.10 0.46 0.00 -1.26 -1.82 105.19 108.40 1tm3 n GLY 160 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1tm3 n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tm3 n SER 161 N 8.45 3.32 -4.78 1.61 3.41 -1.26 -4.97 113.62 119.40 1tm3 n SER 161 Ca 0.00 -1.99 -0.37 0.00 -0.26 0.00 0.00 58.87 56.25 1tm3 n SER 161 Cb 0.00 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1tm3 n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1tm3 s SER 162 N -1.64 7.31 0.31 4.04 0.01 -0.76 -5.03 113.70 117.94 1tm3 s SER 162 Ca 0.36 1.82 -0.29 0.00 1.31 0.00 0.00 55.95 59.15 1tm3 s SER 162 Cb 0.22 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 1tm3 s SER 162 CO 0.31 -0.09 1.24 -0.55 0.41 0.00 0.00 173.24 174.56 1tm3 s SER 163 N -1.66 6.94 -0.04 2.44 0.15 -1.26 -4.45 113.70 115.81 1tm3 s SER 163 Ca 0.51 2.54 0.06 0.00 0.70 0.00 0.00 55.95 59.76 1tm3 s SER 163 Cb -0.18 -2.64 0.09 0.00 -1.71 0.00 0.00 66.02 61.58 1tm3 s SER 163 CO 0.23 -0.41 1.03 0.35 1.20 0.00 0.00 173.24 175.64 1tm3 n THR 164 N 1.01 1.22 -1.93 6.45 -2.24 0.78 -4.99 114.28 114.58 1tm3 n THR 164 Ca -0.00 -1.33 -0.42 0.00 -2.27 0.00 0.00 64.05 60.03 1tm3 n THR 164 Cb 0.43 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1tm3 n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tm3 s VAL 165 N -1.51 2.93 0.60 2.28 1.01 -1.15 -4.62 120.40 119.94 1tm3 s VAL 165 Ca 0.09 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1tm3 s VAL 165 Cb 0.08 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.28 1tm3 s VAL 165 CO 0.01 0.01 0.83 0.61 0.00 0.00 0.00 175.10 176.56 1tm3 n GLY 166 N 3.93 0.34 3.85 4.51 0.00 -0.51 -4.70 105.19 112.61 1tm3 n GLY 166 Ca 0.15 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1tm3 n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tm3 s TYR 167 N -2.52 3.47 -1.85 1.61 2.02 0.07 -0.26 117.35 119.89 1tm3 s TYR 167 Ca 0.53 0.35 0.30 0.00 -0.37 0.00 0.00 57.07 57.88 1tm3 s TYR 167 Cb -0.03 -1.83 1.44 0.00 -0.40 0.00 0.00 41.96 41.14 1tm3 s TYR 167 CO 0.36 0.64 1.98 -0.35 -1.57 0.00 0.00 175.55 176.60 1tm3 n PRO 168 N 1.34 0.89 -0.33 -1.71 -0.04 -1.26 -1.05 135.00 132.83 1tm3 n PRO 168 Ca -0.14 -0.24 0.18 0.00 -0.04 0.00 0.00 63.50 63.26 1tm3 n PRO 168 Cb 0.53 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.92 1tm3 n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tm3 h GLY 169 N 4.96 1.59 2.00 0.55 0.00 -1.70 -1.90 103.07 108.57 1tm3 h GLY 169 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1tm3 h GLY 169 CO 0.00 -0.15 0.00 1.70 0.00 0.00 0.00 176.54 178.09 1tm3 h LYS 170 N 0.55 0.00 -6.71 4.80 3.64 -0.91 -3.38 116.57 114.58 1tm3 h LYS 170 Ca 0.60 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.46 1tm3 h LYS 170 Cb 1.24 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1tm3 h LYS 170 CO -0.37 0.00 0.58 0.71 -2.27 0.00 0.00 179.45 178.10 1tm3 s TYR 171 N -3.52 3.36 0.51 1.91 2.02 -0.71 -4.92 117.35 115.99 1tm3 s TYR 171 Ca 0.02 1.40 0.25 0.00 -0.37 0.00 0.00 57.07 58.37 1tm3 s TYR 171 Cb 0.09 -3.49 1.35 0.00 -0.40 0.00 0.00 41.96 39.52 1tm3 s TYR 171 CO 0.45 -1.38 1.94 -1.35 -1.57 0.00 0.00 175.55 173.64 1tm3 h PRO 172 N 4.92 0.09 0.00 -1.71 0.11 -1.89 -1.73 132.00 131.79 1tm3 h PRO 172 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1tm3 h PRO 172 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1tm3 h PRO 172 CO 0.73 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1tm3 n SER 173 N -4.37 0.56 -4.71 -2.05 3.41 -1.26 -4.74 113.62 100.46 1tm3 n SER 173 Ca 0.14 0.59 -0.35 0.00 -0.26 0.00 0.00 58.87 58.99 1tm3 n SER 173 Cb 0.71 -0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1tm3 n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tm3 s VAL 174 N -3.16 4.63 -0.44 -3.33 1.01 -0.65 -4.73 120.40 113.73 1tm3 s VAL 174 Ca 0.08 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1tm3 s VAL 174 Cb 0.12 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1tm3 s VAL 174 CO 0.47 0.58 1.07 -0.63 0.00 0.00 0.00 175.10 176.59 1tm3 s ILE 175 N -0.66 4.33 -0.15 2.22 1.01 -0.47 -4.79 121.20 122.69 1tm3 s ILE 175 Ca 0.11 1.20 -0.18 0.00 0.00 0.00 0.00 60.65 61.78 1tm3 s ILE 175 Cb -0.12 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 1tm3 s ILE 175 CO 0.02 -0.86 0.47 0.00 0.00 0.00 0.00 174.94 174.57 1tm3 s ALA 176 N 4.13 3.51 -0.17 9.38 0.00 -1.26 -0.97 121.76 136.37 1tm3 s ALA 176 Ca 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1tm3 s ALA 176 Cb -0.09 -2.69 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 1tm3 s ALA 176 CO 0.27 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 1tm3 s VAL 177 N 0.99 2.87 0.55 0.00 1.01 -0.39 -1.43 120.40 123.99 1tm3 s VAL 177 Ca 0.24 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1tm3 s VAL 177 Cb -0.15 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1tm3 s VAL 177 CO 0.10 0.50 0.76 -0.83 0.00 0.00 0.00 175.10 175.62 1tm3 s GLY 178 N 0.89 1.83 -0.12 4.51 0.00 -0.21 -0.81 107.32 113.41 1tm3 s GLY 178 Ca -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1tm3 s GLY 178 CO -0.01 -1.28 -0.14 0.00 0.00 0.00 0.00 173.10 171.68 1tm3 s ALA 179 N -2.70 2.61 0.35 3.20 0.00 -1.26 -1.53 121.76 122.43 1tm3 s ALA 179 Ca 0.59 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.74 1tm3 s ALA 179 Cb -0.09 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1tm3 s ALA 179 CO 0.38 0.28 -0.03 0.14 0.00 0.00 0.00 175.76 176.53 1tm3 s VAL 180 N 0.24 2.43 0.02 0.00 -7.23 -0.53 -1.00 120.40 114.32 1tm3 s VAL 180 Ca -0.09 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1tm3 s VAL 180 Cb -0.15 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1tm3 s VAL 180 CO 0.05 -0.19 0.02 -0.90 -0.31 0.00 0.00 175.10 173.78 1tm3 n ASP 181 N -0.89 0.05 0.09 4.85 5.68 -0.07 -0.98 116.55 125.27 1tm3 n ASP 181 Ca -0.04 -1.04 0.10 0.00 -0.50 0.00 0.00 54.79 53.30 1tm3 n ASP 181 Cb 0.63 -0.01 0.42 0.00 -1.14 0.00 0.00 41.12 41.01 1tm3 n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1tm3 n SER 182 N -2.98 0.42 -1.40 -1.12 3.41 -1.26 -1.37 113.62 109.31 1tm3 n SER 182 Ca 0.00 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 1tm3 n SER 182 Cb 0.02 -0.70 0.33 0.00 -0.26 0.00 0.00 64.21 63.60 1tm3 n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1tm3 n SER 183 N -1.97 4.18 -0.83 4.04 3.41 -1.26 -4.95 113.62 116.23 1tm3 n SER 183 Ca 0.02 -2.14 -0.11 0.00 -0.26 0.00 0.00 58.87 56.38 1tm3 n SER 183 Cb 0.18 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1tm3 n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tm3 n ASN 184 N 1.45 -4.47 -4.78 4.04 3.02 -0.47 -5.01 115.26 109.04 1tm3 n ASN 184 Ca 0.25 0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 54.68 1tm3 n ASN 184 Cb 0.70 -2.93 -0.06 0.00 -0.61 0.00 0.00 39.78 36.88 1tm3 n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1tm3 s GLN 185 N -2.83 4.31 0.25 3.52 -1.52 -1.26 -4.78 119.66 117.34 1tm3 s GLN 185 Ca 0.00 0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 53.89 1tm3 s GLN 185 Cb 0.00 -3.31 -0.12 0.00 -0.22 0.00 0.00 33.01 29.36 1tm3 s GLN 185 CO 0.00 0.46 1.62 -2.13 -0.25 0.00 0.00 175.29 174.99 1tm3 n ARG 186 N 2.33 2.62 -2.07 2.91 0.63 -1.26 -0.90 116.66 120.92 1tm3 n ARG 186 Ca -0.07 0.94 -0.41 0.00 -0.92 0.00 0.00 57.85 57.38 1tm3 n ARG 186 Cb 0.51 -2.73 -0.02 0.00 0.45 0.00 0.00 32.46 30.67 1tm3 n ARG 186 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tm3 s ALA 187 N 0.49 3.53 0.53 5.13 0.00 -0.17 -4.85 121.76 126.42 1tm3 s ALA 187 Ca 0.70 1.30 0.19 0.00 0.00 0.00 0.00 51.96 54.15 1tm3 s ALA 187 Cb -0.53 -3.50 1.34 0.00 0.00 0.00 0.00 23.12 20.42 1tm3 s ALA 187 CO 0.42 -0.69 2.11 0.66 0.00 0.00 0.00 175.76 178.26 1tm3 h SER 188 N 3.66 0.00 1.35 0.00 4.64 -1.92 -1.47 113.55 119.80 1tm3 h SER 188 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1tm3 h SER 188 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1tm3 h SER 188 CO 0.68 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.86 1tm3 n PHE 189 N -4.45 0.90 -1.91 4.77 1.16 -1.26 -4.42 117.46 112.26 1tm3 n PHE 189 Ca 0.00 0.28 -0.42 0.00 -1.87 0.00 0.00 57.45 55.44 1tm3 n PHE 189 Cb 0.23 -0.95 -0.03 0.00 -1.61 0.00 0.00 39.48 37.12 1tm3 n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1tm3 s SER 190 N -4.46 6.59 0.79 5.98 0.15 -0.56 -1.11 113.70 121.07 1tm3 s SER 190 Ca 0.10 2.51 -0.14 0.00 0.70 0.00 0.00 55.95 59.12 1tm3 s SER 190 Cb 0.12 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1tm3 s SER 190 CO 0.56 -0.90 1.02 -1.20 1.20 0.00 0.00 173.24 173.93 1tm3 n SER 191 N 5.58 0.47 -4.22 5.45 7.64 -0.45 -3.93 113.62 124.17 1tm3 n SER 191 Ca 0.16 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.51 1tm3 n SER 191 Cb 0.40 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.07 1tm3 n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1tm3 s VAL 192 N -2.03 0.66 0.00 0.44 -7.23 -1.25 -4.87 120.40 106.12 1tm3 s VAL 192 Ca 0.72 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1tm3 s VAL 192 Cb -0.31 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1tm3 s VAL 192 CO 0.52 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1tm3 n GLY 193 N -0.17 3.76 0.08 2.32 0.00 -0.22 -0.15 105.19 110.81 1tm3 n GLY 193 Ca -0.08 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.39 1tm3 n GLY 193 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tm3 n PRO 194 N -1.95 0.11 0.00 1.61 -0.04 -1.26 -1.74 135.00 131.72 1tm3 n PRO 194 Ca 0.00 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1tm3 n PRO 194 Cb 0.00 -1.73 0.54 0.00 -0.04 0.00 0.00 33.50 32.27 1tm3 n PRO 194 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1tm3 n GLU 195 N -1.93 0.02 -2.00 0.54 4.71 -1.26 -4.81 120.64 115.91 1tm3 n GLU 195 Ca 0.02 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.74 1tm3 n GLU 195 Cb 0.16 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.06 1tm3 n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1tm3 s LEU 196 N -2.98 4.36 -0.16 -4.62 2.96 -0.71 -4.49 118.68 113.04 1tm3 s LEU 196 Ca 0.14 2.45 -0.16 0.00 -0.22 0.00 0.00 54.13 56.34 1tm3 s LEU 196 Cb 0.19 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.25 1tm3 s LEU 196 CO 0.57 -0.82 -0.31 -0.67 -1.32 0.00 0.00 176.35 173.80 1tm3 n ASP 197 N 4.91 1.84 -4.17 3.68 2.03 -0.52 -4.31 116.55 120.00 1tm3 n ASP 197 Ca 0.14 0.31 -0.11 0.00 0.52 0.00 0.00 54.79 55.65 1tm3 n ASP 197 Cb 0.41 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 1tm3 n ASP 197 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tm3 s VAL 198 N -2.77 0.18 0.21 5.18 -7.23 -1.11 -0.54 120.40 114.33 1tm3 s VAL 198 Ca -0.26 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1tm3 s VAL 198 Cb 0.04 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1tm3 s VAL 198 CO 0.39 -0.40 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.67 1tm3 s MET 199 N -4.04 2.11 0.23 4.82 -1.94 0.18 -1.05 119.30 119.62 1tm3 s MET 199 Ca 0.26 -1.35 -0.14 0.00 -1.71 0.00 0.00 55.69 52.76 1tm3 s MET 199 Cb 0.07 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.78 1tm3 s MET 199 CO 0.04 0.41 0.48 0.00 -0.01 0.00 0.00 175.02 175.93 1tm3 s ALA 200 N -1.95 -0.37 0.19 3.03 0.00 -0.58 -2.15 121.76 119.93 1tm3 s ALA 200 Ca 0.27 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 1tm3 s ALA 200 Cb -0.08 1.01 -0.11 0.00 0.00 0.00 0.00 23.12 23.94 1tm3 s ALA 200 CO 0.17 -0.84 1.60 -2.14 0.00 0.00 0.00 175.76 174.55 1tm3 s PRO 201 N -3.99 4.19 0.00 0.00 0.02 -1.26 -1.46 135.00 132.51 1tm3 s PRO 201 Ca 0.19 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1tm3 s PRO 201 Cb -0.01 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1tm3 s PRO 201 CO 0.06 -0.63 0.84 0.41 -0.33 0.00 0.00 177.00 177.35 1tm3 n GLY 202 N 3.52 0.07 3.18 0.52 0.00 -0.16 -3.29 105.19 109.05 1tm3 n GLY 202 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1tm3 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tm3 s VAL 203 N 0.00 2.19 -1.23 1.61 1.01 -1.23 -0.88 120.40 121.87 1tm3 s VAL 203 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1tm3 s VAL 203 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1tm3 s VAL 203 CO 0.00 0.54 0.80 -0.24 0.00 0.00 0.00 175.10 176.20 1tm3 n SER 204 N 4.15 -2.52 -4.56 3.32 2.88 -1.09 -4.83 113.62 110.95 1tm3 n SER 204 Ca -0.20 -0.78 -0.42 0.00 -1.33 0.00 0.00 58.87 56.14 1tm3 n SER 204 Cb 0.51 -4.38 -0.07 0.00 -0.75 0.00 0.00 64.21 59.53 1tm3 n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1tm3 s ILE 205 N -3.54 4.94 0.11 2.46 -1.09 0.09 -4.81 121.20 119.36 1tm3 s ILE 205 Ca 0.11 0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 1tm3 s ILE 205 Cb -0.03 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1tm3 s ILE 205 CO 0.79 -0.30 1.17 -1.10 -1.23 0.00 0.00 174.94 174.27 1tm3 s GLN 206 N 2.58 4.49 0.36 2.79 -1.52 -1.26 -1.49 119.66 125.61 1tm3 s GLN 206 Ca 0.22 1.77 -0.11 0.00 -1.95 0.00 0.00 55.36 55.28 1tm3 s GLN 206 Cb -0.15 -3.31 0.05 0.00 -0.22 0.00 0.00 33.01 29.38 1tm3 s GLN 206 CO 0.14 -0.13 0.68 0.45 -0.25 0.00 0.00 175.29 176.18 1tm3 n SER 207 N 3.25 -1.96 -4.77 5.90 2.88 -0.63 -4.86 113.62 113.43 1tm3 n SER 207 Ca 0.06 -2.51 -0.41 0.00 -1.33 0.00 0.00 58.87 54.69 1tm3 n SER 207 Cb 0.46 3.31 -0.03 0.00 -0.75 0.00 0.00 64.21 67.20 1tm3 n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1tm3 s THR 208 N -2.29 2.97 0.12 2.46 -4.23 -1.26 -1.30 115.64 112.11 1tm3 s THR 208 Ca 0.17 0.97 0.06 0.00 -1.18 0.00 0.00 61.69 61.70 1tm3 s THR 208 Cb -0.04 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1tm3 s THR 208 CO 0.12 0.23 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.53 1tm3 s LEU 209 N -1.63 2.41 0.68 4.79 1.43 0.03 -2.18 118.68 124.21 1tm3 s LEU 209 Ca 0.48 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 1tm3 s LEU 209 Cb -0.37 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1tm3 s LEU 209 CO 0.49 -0.14 1.18 -2.65 0.23 0.00 0.00 176.35 175.45 1tm3 n PRO 210 N 0.50 0.82 -2.94 1.29 -0.02 -1.26 -1.96 135.00 131.43 1tm3 n PRO 210 Ca -0.15 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 1tm3 n PRO 210 Cb 0.57 -2.41 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1tm3 n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tm3 n GLY 211 N 0.94 0.35 3.61 -1.23 0.00 -1.26 -3.93 105.19 103.68 1tm3 n GLY 211 Ca 0.15 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1tm3 n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1tm3 n ASN 212 N -0.32 -2.06 -4.64 1.61 5.15 -1.23 -5.00 115.26 108.77 1tm3 n ASN 212 Ca 0.00 -0.72 -0.29 0.00 -0.60 0.00 0.00 54.58 52.97 1tm3 n ASN 212 Cb 0.52 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.17 1tm3 n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1tm3 s LYS 213 N -5.81 2.02 0.03 1.20 -0.14 -0.83 -5.01 119.74 111.21 1tm3 s LYS 213 Ca 0.08 -2.21 -0.01 0.00 -1.36 0.00 0.00 55.97 52.48 1tm3 s LYS 213 Cb -0.04 -1.49 -0.03 0.00 -1.68 0.00 0.00 37.83 34.59 1tm3 s LYS 213 CO 0.78 -0.20 -0.03 0.71 -0.76 0.00 0.00 175.35 175.85 1tm3 s TYR 214 N -2.84 0.36 -0.00 3.18 2.02 -1.26 -0.79 117.35 118.01 1tm3 s TYR 214 Ca 0.24 -0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1tm3 s TYR 214 Cb 0.06 -0.26 0.10 0.00 -0.40 0.00 0.00 41.96 41.47 1tm3 s TYR 214 CO 0.12 -0.27 1.08 0.20 -1.57 0.00 0.00 175.55 175.12 1tm3 s GLY 215 N -2.02 -0.35 -0.32 0.71 0.00 -0.42 -4.86 107.32 100.06 1tm3 s GLY 215 Ca -0.07 0.81 -0.18 0.00 0.00 0.00 0.00 44.72 45.28 1tm3 s GLY 215 CO -0.04 0.23 0.52 0.00 0.00 0.00 0.00 173.10 173.81 1tm3 s ALA 216 N -2.83 3.51 0.31 3.20 0.00 -1.26 -1.61 121.76 123.08 1tm3 s ALA 216 Ca 0.10 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1tm3 s ALA 216 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1tm3 s ALA 216 CO -0.04 -1.08 0.09 0.71 0.00 0.00 0.00 175.76 175.45 1tm3 s TYR 217 N 2.39 2.72 0.01 0.00 1.51 -0.55 -4.78 117.35 118.66 1tm3 s TYR 217 Ca 0.20 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1tm3 s TYR 217 Cb -0.15 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1tm3 s TYR 217 CO 0.12 0.45 -0.17 -0.80 -1.11 0.00 0.00 175.55 174.04 1tm3 s ASN 218 N -3.78 2.06 0.00 2.29 0.01 -1.26 -0.73 114.94 113.53 1tm3 s ASN 218 Ca 0.35 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1tm3 s ASN 218 Cb -0.04 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1tm3 s ASN 218 CO 0.22 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.58 1tm3 n GLY 219 N 2.28 3.51 0.29 0.66 0.00 -0.06 -4.81 105.19 107.06 1tm3 n GLY 219 Ca -0.16 -1.06 0.18 0.00 0.00 0.00 0.00 46.02 44.98 1tm3 n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1tm3 h THR 220 N 1.00 0.19 -0.74 2.61 1.35 -1.83 -1.45 112.91 114.04 1tm3 h THR 220 Ca 0.00 -0.35 0.16 0.00 -0.55 0.00 0.00 66.41 65.68 1tm3 h THR 220 Cb 0.00 1.28 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 1tm3 h THR 220 CO 0.00 0.04 0.50 0.28 -0.25 0.00 0.00 175.52 176.09 1tm3 h SER 221 N 0.00 0.29 1.11 5.36 0.02 -1.88 -1.78 113.55 116.67 1tm3 h SER 221 Ca -0.00 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 1tm3 h SER 221 Cb 0.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1tm3 h SER 221 CO 0.01 0.15 -0.94 0.24 -1.14 0.00 0.00 176.83 175.14 1tm3 h MET 222 N 0.31 0.00 0.01 3.45 2.07 -1.58 -3.36 114.93 115.83 1tm3 h MET 222 Ca 0.36 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.89 1tm3 h MET 222 Cb 0.98 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.72 1tm3 h MET 222 CO -0.10 0.48 -0.40 0.00 1.07 0.00 0.00 176.91 177.97 1tm3 h ALA 223 N 1.39 0.04 -0.53 6.32 0.00 -1.32 -3.36 119.26 121.80 1tm3 h ALA 223 Ca -0.07 -0.52 0.11 0.00 0.00 0.00 0.00 54.91 54.43 1tm3 h ALA 223 Cb 1.53 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1tm3 h ALA 223 CO 0.07 0.20 -0.21 1.03 0.00 0.00 0.00 179.25 180.33 1tm3 h SER 224 N -0.37 -0.74 0.71 0.00 0.87 -1.48 -1.46 113.55 111.08 1tm3 h SER 224 Ca -0.05 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1tm3 h SER 224 Cb 1.15 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1tm3 h SER 224 CO 0.08 -0.24 0.00 1.55 -0.53 0.00 0.00 176.83 177.69 1tm3 h PRO 225 N -0.09 0.00 -0.76 2.24 0.13 -1.73 -0.13 132.00 131.67 1tm3 h PRO 225 Ca 0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.34 1tm3 h PRO 225 Cb 0.47 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1tm3 h PRO 225 CO -0.59 0.00 0.33 0.45 -0.23 0.00 0.00 178.00 177.96 1tm3 h HIS 226 N 0.00 1.13 -0.09 1.56 3.86 -1.40 0.10 115.15 120.32 1tm3 h HIS 226 Ca 0.00 -0.07 -0.24 0.00 -1.16 0.00 0.00 60.37 58.90 1tm3 h HIS 226 Cb 0.36 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.49 1tm3 h HIS 226 CO 0.00 0.85 -0.88 0.28 0.86 0.00 0.00 177.93 179.04 1tm3 h VAL 227 N 1.09 1.29 -0.47 2.45 2.07 -1.07 -0.63 116.25 120.99 1tm3 h VAL 227 Ca 0.26 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 1tm3 h VAL 227 Cb 0.17 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1tm3 h VAL 227 CO -0.03 0.66 0.06 0.00 0.02 0.00 0.00 177.57 178.28 1tm3 h ALA 228 N 0.55 0.62 -0.66 1.67 0.00 -1.05 -0.11 119.26 120.28 1tm3 h ALA 228 Ca -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1tm3 h ALA 228 Cb 1.51 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1tm3 h ALA 228 CO 0.17 0.36 0.24 0.78 0.00 0.00 0.00 179.25 180.81 1tm3 h GLY 229 N 0.65 1.04 1.05 0.00 0.00 -0.81 -2.06 103.07 102.94 1tm3 h GLY 229 Ca 0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1tm3 h GLY 229 CO 0.01 0.53 0.39 0.00 0.00 0.00 0.00 176.54 177.47 1tm3 h ALA 230 N 1.31 1.11 -0.83 3.60 0.00 -0.59 -1.03 119.26 122.82 1tm3 h ALA 230 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tm3 h ALA 230 Cb 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1tm3 h ALA 230 CO -0.02 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.37 1tm3 h ALA 231 N 1.22 1.06 -0.66 0.00 0.00 -0.66 -1.05 119.26 119.18 1tm3 h ALA 231 Ca 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1tm3 h ALA 231 Cb 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1tm3 h ALA 231 CO -0.03 0.56 0.18 0.00 0.00 0.00 0.00 179.25 179.95 1tm3 h ALA 232 N 1.25 1.07 -0.32 0.00 0.00 -0.70 -1.21 119.26 119.35 1tm3 h ALA 232 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1tm3 h ALA 232 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1tm3 h ALA 232 CO -0.05 0.62 0.18 -0.07 0.00 0.00 0.00 179.25 179.93 1tm3 h LEU 233 N 0.99 0.40 -0.38 0.00 3.38 -0.71 -0.77 115.31 118.21 1tm3 h LEU 233 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1tm3 h LEU 233 Cb 0.32 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1tm3 h LEU 233 CO -0.00 0.37 0.24 0.40 0.09 0.00 0.00 178.44 179.54 1tm3 h ILE 234 N 0.40 1.11 -0.20 1.22 2.04 -1.04 -2.31 117.51 118.74 1tm3 h ILE 234 Ca 0.11 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1tm3 h ILE 234 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1tm3 h ILE 234 CO -0.02 0.11 -0.20 -0.07 0.00 0.00 0.00 178.15 177.97 1tm3 h LEU 235 N 0.51 0.34 -1.34 1.44 3.38 -1.09 0.69 115.31 119.23 1tm3 h LEU 235 Ca 0.14 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1tm3 h LEU 235 Cb -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1tm3 h LEU 235 CO -0.03 0.55 -0.33 0.77 0.09 0.00 0.00 178.44 179.49 1tm3 h SER 236 N 0.31 0.00 0.79 -0.43 4.64 -0.62 -1.64 113.55 116.61 1tm3 h SER 236 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 1tm3 h SER 236 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 1tm3 h SER 236 CO 0.04 0.33 -1.31 0.50 -0.87 0.00 0.00 176.83 175.52 1tm3 h LYS 237 N 0.00 0.00 -2.24 4.77 3.64 -0.92 -3.41 116.57 118.41 1tm3 h LYS 237 Ca -0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.79 1tm3 h LYS 237 Cb 0.58 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.00 1tm3 h LYS 237 CO 0.04 0.70 -0.88 0.72 -2.27 0.00 0.00 179.45 177.76 1tm3 n HIS 238 N -3.18 1.05 0.28 1.91 8.25 0.19 -4.98 115.22 118.73 1tm3 n HIS 238 Ca -0.08 -3.76 0.15 0.00 -0.26 0.00 0.00 57.72 53.77 1tm3 n HIS 238 Cb 0.97 -0.33 0.75 0.00 1.12 0.00 0.00 29.99 32.50 1tm3 n HIS 238 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1tm3 h PRO 239 N 4.49 0.00 -0.34 -0.41 0.11 -1.54 -1.53 132.00 132.79 1tm3 h PRO 239 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1tm3 h PRO 239 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1tm3 h PRO 239 CO 0.58 0.00 0.01 0.27 -0.21 0.00 0.00 178.00 178.65 1tm3 n ASN 240 N -2.60 4.08 -4.75 -2.05 6.94 -1.26 -4.93 115.26 110.69 1tm3 n ASN 240 Ca -0.01 -3.08 -0.40 0.00 -0.02 0.00 0.00 54.58 51.07 1tm3 n ASN 240 Cb 0.13 -0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 36.92 1tm3 n ASN 240 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1tm3 s TRP 241 N -2.87 3.74 0.76 -2.53 0.52 -0.58 -5.05 118.94 112.93 1tm3 s TRP 241 Ca 0.45 1.77 -0.12 0.00 0.02 0.00 0.00 56.10 58.22 1tm3 s TRP 241 Cb 0.36 -3.16 0.05 0.00 -1.15 0.00 0.00 33.47 29.57 1tm3 s TRP 241 CO 0.09 -0.16 1.11 0.95 0.02 0.00 0.00 176.95 178.96 1tm3 s THR 242 N -0.97 3.11 0.27 2.01 -4.23 -1.26 -4.85 115.64 109.72 1tm3 s THR 242 Ca 0.44 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1tm3 s THR 242 Cb -0.29 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.55 1tm3 s THR 242 CO 0.36 -0.47 1.84 -0.55 -0.54 0.00 0.00 174.62 175.26 1tm3 h ASN 243 N -0.89 0.90 -0.60 3.99 -1.07 -1.92 0.32 115.58 116.32 1tm3 h ASN 243 Ca -0.46 0.04 0.10 0.00 0.07 0.00 0.00 56.30 56.05 1tm3 h ASN 243 Cb 1.27 -0.14 -0.08 0.00 -2.07 0.00 0.00 38.32 37.30 1tm3 h ASN 243 CO 0.62 0.51 0.18 0.74 0.07 0.00 0.00 177.43 179.56 1tm3 h THR 244 N 0.99 0.71 -0.23 6.14 2.02 -1.93 0.51 112.91 121.12 1tm3 h THR 244 Ca 0.46 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 67.34 1tm3 h THR 244 Cb 0.38 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1tm3 h THR 244 CO -0.24 0.06 -0.59 -0.61 0.37 0.00 0.00 175.52 174.51 1tm3 h GLN 245 N 0.34 0.75 -0.44 6.66 5.75 -1.71 -0.94 115.11 125.52 1tm3 h GLN 245 Ca 0.31 -0.50 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1tm3 h GLN 245 Cb 0.42 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1tm3 h GLN 245 CO -0.35 1.13 0.09 0.28 -2.65 0.00 0.00 178.83 177.33 1tm3 h VAL 246 N 0.57 1.24 -0.13 2.39 2.07 -0.52 0.36 116.25 122.23 1tm3 h VAL 246 Ca 0.00 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1tm3 h VAL 246 Cb 1.18 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1tm3 h VAL 246 CO 0.12 0.30 0.08 -0.09 0.02 0.00 0.00 177.57 178.00 1tm3 h ARG 247 N 0.59 0.18 -0.28 1.57 2.43 -0.84 -2.12 114.38 115.91 1tm3 h ARG 247 Ca 0.14 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1tm3 h ARG 247 Cb 0.35 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1tm3 h ARG 247 CO 0.01 0.18 -0.08 0.66 -1.51 0.00 0.00 179.97 179.22 1tm3 h SER 248 N 0.13 0.43 -0.63 -3.80 4.64 -1.08 -1.43 113.55 111.81 1tm3 h SER 248 Ca 0.05 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1tm3 h SER 248 Cb 0.05 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1tm3 h SER 248 CO -0.01 0.56 0.30 0.77 -0.87 0.00 0.00 176.83 177.58 1tm3 h SER 249 N 0.43 0.84 -0.20 4.97 4.64 -0.50 0.67 113.55 124.40 1tm3 h SER 249 Ca 0.09 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1tm3 h SER 249 Cb 0.41 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1tm3 h SER 249 CO 0.02 0.72 -0.51 -0.07 -0.87 0.00 0.00 176.83 176.12 1tm3 h LEU 250 N 0.93 0.81 -0.66 5.97 3.38 -0.98 -3.14 115.31 121.62 1tm3 h LEU 250 Ca 0.23 -0.57 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 1tm3 h LEU 250 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1tm3 h LEU 250 CO -0.03 1.23 -0.36 -0.33 0.09 0.00 0.00 178.44 179.05 1tm3 h GLU 251 N 0.42 0.65 -0.00 1.13 5.08 -0.97 -3.17 114.58 117.71 1tm3 h GLU 251 Ca -0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1tm3 h GLU 251 Cb 1.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1tm3 h GLU 251 CO 0.11 0.91 -0.09 0.09 -1.00 0.00 0.00 179.01 179.03 1tm3 n ASN 252 N -4.05 0.34 -0.03 1.42 5.03 0.20 -3.79 115.26 114.37 1tm3 n ASN 252 Ca -0.01 -0.42 0.01 0.00 0.87 0.00 0.00 54.58 55.03 1tm3 n ASN 252 Cb 0.50 -0.13 0.01 0.00 -1.02 0.00 0.00 39.78 39.14 1tm3 n ASN 252 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1tm3 n THR 253 N -1.08 0.73 -0.92 3.41 -2.24 -1.19 -3.05 114.28 109.94 1tm3 n THR 253 Ca 0.14 -0.77 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 1tm3 n THR 253 Cb 0.27 0.58 0.14 0.00 -2.10 0.00 0.00 70.33 69.23 1tm3 n THR 253 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tm3 n THR 254 N -0.41 1.12 -2.92 4.28 -2.24 -1.20 -4.26 114.28 108.64 1tm3 n THR 254 Ca 0.02 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1tm3 n THR 254 Cb 0.39 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1tm3 n THR 254 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1tm3 s THR 255 N -2.34 4.71 0.33 4.28 2.01 0.09 -3.08 115.64 121.64 1tm3 s THR 255 Ca 0.70 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 63.40 1tm3 s THR 255 Cb -0.26 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 67.92 1tm3 s THR 255 CO 0.55 -0.43 1.23 -0.54 -0.69 0.00 0.00 174.62 174.73 1tm3 s LYS 256 N 3.16 4.37 0.00 4.92 -0.14 -1.26 -1.27 119.74 129.52 1tm3 s LYS 256 Ca 0.33 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 56.98 1tm3 s LYS 256 Cb -0.13 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1tm3 s LYS 256 CO 0.17 -0.11 0.00 1.28 -0.76 0.00 0.00 175.35 175.93 1tm3 n LEU 257 N 0.77 0.00 0.00 3.17 4.77 -1.26 -4.90 117.00 119.55 1tm3 n LEU 257 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tm3 n LEU 257 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1tm3 n LEU 257 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1tm3 n GLY 258 N 5.00 0.12 3.64 -0.72 0.00 -1.26 -4.98 105.19 106.99 1tm3 n GLY 258 Ca 0.00 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 1tm3 n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tm3 n ASP 259 N 0.00 2.18 0.31 1.61 2.03 -1.26 -4.69 116.55 116.72 1tm3 n ASP 259 Ca 0.00 1.16 0.19 0.00 0.52 0.00 0.00 54.79 56.66 1tm3 n ASP 259 Cb 0.00 -1.36 1.05 0.00 -0.72 0.00 0.00 41.12 40.09 1tm3 n ASP 259 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1tm3 h SER 260 N 3.43 0.00 -0.21 1.67 4.64 -1.92 -0.54 113.55 120.62 1tm3 h SER 260 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1tm3 h SER 260 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1tm3 h SER 260 CO 0.70 0.00 0.01 0.15 -0.87 0.00 0.00 176.83 176.82 1tm3 h PHE 261 N 0.00 0.50 0.00 4.77 3.57 -1.87 -0.31 116.94 123.60 1tm3 h PHE 261 Ca 0.01 -0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 1tm3 h PHE 261 Cb 0.18 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1tm3 h PHE 261 CO 0.00 0.49 -2.19 0.66 -2.23 0.00 0.00 178.31 175.05 1tm3 n TYR 262 N -4.30 0.00 -0.23 0.41 4.01 -0.52 -1.05 117.16 115.47 1tm3 n TYR 262 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1tm3 n TYR 262 Cb 0.23 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 1tm3 n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tm3 n TYR 263 N -2.53 0.00 -1.95 -0.72 4.01 -0.33 -4.94 117.16 110.70 1tm3 n TYR 263 Ca -0.21 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1tm3 n TYR 263 Cb 0.91 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1tm3 n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tm3 n GLY 264 N -0.04 2.06 0.00 2.72 0.00 -0.13 -1.36 105.19 108.45 1tm3 n GLY 264 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1tm3 n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tm3 n LYS 265 N 14.00 0.23 0.00 1.61 5.02 0.30 -4.08 118.16 135.24 1tm3 n LYS 265 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1tm3 n LYS 265 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1tm3 n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tm3 n GLY 266 N 0.72 -0.57 3.71 0.72 0.00 -0.46 -4.05 105.19 105.27 1tm3 n GLY 266 Ca 0.09 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1tm3 n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tm3 s LEU 267 N 0.00 4.38 0.65 0.99 2.96 -0.40 -0.64 118.68 126.62 1tm3 s LEU 267 Ca 0.00 1.79 -0.17 0.00 -0.22 0.00 0.00 54.13 55.53 1tm3 s LEU 267 Cb 0.00 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 1tm3 s LEU 267 CO 0.00 -0.30 1.20 0.27 -1.32 0.00 0.00 176.35 176.19 1tm3 s ILE 268 N 0.90 2.59 -0.31 6.68 -4.36 -0.91 -0.73 121.20 125.05 1tm3 s ILE 268 Ca 0.53 0.33 -0.02 0.00 -0.26 0.00 0.00 60.65 61.23 1tm3 s ILE 268 Cb -0.24 -3.00 0.11 0.00 1.25 0.00 0.00 42.46 40.59 1tm3 s ILE 268 CO 0.29 -0.12 0.15 0.21 0.24 0.00 0.00 174.94 175.71 1tm3 s ASN 269 N -1.88 3.44 0.40 4.36 3.84 -1.26 -4.57 114.94 119.27 1tm3 s ASN 269 Ca 0.75 -1.61 0.21 0.00 0.21 0.00 0.00 52.86 52.41 1tm3 s ASN 269 Cb -0.29 -0.44 0.79 0.00 -0.55 0.00 0.00 41.25 40.76 1tm3 s ASN 269 CO 0.39 -0.40 1.78 1.62 -2.79 0.00 0.00 177.10 177.70 1tm3 h VAL 270 N 6.01 0.77 0.24 -5.21 3.04 -1.38 -1.48 116.25 118.24 1tm3 h VAL 270 Ca -0.12 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1tm3 h VAL 270 Cb 1.00 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1tm3 h VAL 270 CO 0.40 0.31 -0.11 -0.61 -1.01 0.00 0.00 177.57 176.54 1tm3 h GLN 271 N 0.00 -0.31 -0.56 4.17 4.15 -1.73 -1.53 115.11 119.30 1tm3 h GLN 271 Ca -0.00 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1tm3 h GLN 271 Cb 0.82 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1tm3 h GLN 271 CO 0.04 -0.18 0.06 0.00 -1.93 0.00 0.00 178.83 176.83 1tm3 h ALA 272 N 0.41 1.06 -0.44 3.38 0.00 -1.86 -2.94 119.26 118.86 1tm3 h ALA 272 Ca -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1tm3 h ALA 272 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1tm3 h ALA 272 CO 0.05 0.60 0.13 0.00 0.00 0.00 0.00 179.25 180.04 1tm3 h ALA 273 N 1.20 1.41 -0.13 0.00 0.00 -1.06 -2.58 119.26 118.10 1tm3 h ALA 273 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tm3 h ALA 273 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1tm3 h ALA 273 CO 0.01 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1tm3 n ALA 274 N -2.47 2.54 -1.91 0.00 0.00 -0.59 -4.81 120.51 113.27 1tm3 n ALA 274 Ca 0.03 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 1tm3 n ALA 274 Cb 0.18 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1tm3 n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tm3 s GLN 275 N -1.84 2.56 0.12 0.00 -1.52 -0.97 -4.99 119.66 113.01 1tm3 s GLN 275 Ca 0.31 0.27 -0.17 0.00 -1.95 0.00 0.00 55.36 53.82 1tm3 s GLN 275 Cb 0.16 -2.03 -0.03 0.00 -0.22 0.00 0.00 33.01 30.89 1tm3 s GLN 275 CO 0.25 -1.18 1.64 0.45 -0.25 0.00 0.00 175.29 176.20 1tm3 h HIS 276 N -0.72 0.55 -3.36 0.91 3.86 -1.88 -3.44 115.15 111.07 1tm3 h HIS 276 Ca -0.45 -0.05 -0.65 0.00 -1.16 0.00 0.00 60.37 58.05 1tm3 h HIS 276 Cb 1.28 -0.16 -0.23 0.00 1.06 0.00 0.00 27.41 29.36 1tm3 h HIS 276 CO 0.43 0.54 -0.71 -1.01 0.86 0.00 0.00 177.93 178.04 1tm3 s HIS 277 N -5.43 2.94 -0.11 2.45 3.76 -1.26 -5.11 115.29 112.52 1tm3 s HIS 277 Ca -0.13 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1tm3 s HIS 277 Cb 0.09 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 1tm3 s HIS 277 CO 0.75 -0.05 -0.13 -1.01 -0.85 0.00 0.00 174.74 173.45 1tm3 s HIS 278 N 0.20 2.80 0.19 1.40 0.09 -1.26 -4.98 115.29 113.73 1tm3 s HIS 278 Ca -0.04 -0.48 -0.14 0.00 -0.00 0.00 0.00 55.06 54.39 1tm3 s HIS 278 Cb -0.14 -1.79 0.01 0.00 -0.00 0.00 0.00 32.58 30.66 1tm3 s HIS 278 CO 0.04 -0.09 0.43 -3.38 -0.00 0.00 0.00 174.74 171.74 1tm3 s HIS 279 N 0.05 0.10 0.36 1.40 -3.43 -1.24 -4.95 115.29 107.57 1tm3 s HIS 279 Ca -0.04 -0.46 -0.25 0.00 -0.80 0.00 0.00 55.06 53.51 1tm3 s HIS 279 Cb -0.14 0.21 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 1tm3 s HIS 279 CO 0.04 -0.85 1.01 -1.01 -2.00 0.00 0.00 174.74 171.93 1tm3 s HIS 280 N -3.92 3.46 -1.72 0.38 3.76 -1.17 -4.38 115.29 111.71 1tm3 s HIS 280 Ca 0.13 1.70 0.14 0.00 -0.15 0.00 0.00 55.06 56.88 1tm3 s HIS 280 Cb 0.01 -3.05 0.11 0.00 1.11 0.00 0.00 32.58 30.75 1tm3 s HIS 280 CO -0.01 -0.27 0.93 0.72 -0.85 0.00 0.00 174.74 175.26