#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug9 s ALA 3 N 0.00 3.47 0.02 6.98 0.00 -1.26 -5.04 121.76 125.92 1ug9 s ALA 3 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1ug9 s ALA 3 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1ug9 s ALA 3 CO 0.00 -0.44 -0.19 -1.21 0.00 0.00 0.00 175.76 173.92 1ug9 s GLU 4 N 0.12 2.15 0.62 0.00 0.41 -1.26 -4.97 118.70 115.77 1ug9 s GLU 4 Ca 0.56 -0.93 -0.18 0.00 -0.41 0.00 0.00 54.97 54.02 1ug9 s GLU 4 Cb -0.33 -2.20 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 1ug9 s GLU 4 CO 0.35 0.56 1.18 -1.25 -0.49 0.00 0.00 175.26 175.61 1ug9 s PRO 5 N -1.19 2.82 0.64 0.39 0.04 -1.26 -4.94 135.00 131.50 1ug9 s PRO 5 Ca 0.13 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1ug9 s PRO 5 Cb -0.10 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1ug9 s PRO 5 CO 0.03 -1.30 1.23 -1.25 0.04 0.00 0.00 177.00 175.76 1ug9 s PRO 6 N -3.56 2.68 0.00 0.56 0.04 -1.26 -4.38 135.00 129.09 1ug9 s PRO 6 Ca 0.75 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1ug9 s PRO 6 Cb -0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ug9 s PRO 6 CO 0.36 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1ug9 n GLY 7 N 0.58 1.68 3.51 0.56 0.00 -1.26 -3.81 105.19 106.45 1ug9 n GLY 7 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1ug9 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug9 n SER 8 N 0.00 0.28 -0.37 1.61 2.88 -1.26 -1.13 113.62 115.64 1ug9 n SER 8 Ca 0.00 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 1ug9 n SER 8 Cb 0.00 -1.16 0.47 0.00 -0.75 0.00 0.00 64.21 62.78 1ug9 n SER 8 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ug9 n PRO 9 N 0.82 1.49 0.00 -1.46 -0.04 -1.26 -5.05 135.00 129.49 1ug9 n PRO 9 Ca 0.13 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1ug9 n PRO 9 Cb 0.30 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1ug9 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 10 N 1.04 2.39 3.74 0.55 0.00 -0.28 -0.51 105.19 112.12 1ug9 n GLY 10 Ca 0.16 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1ug9 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 11 N -1.69 2.26 0.42 4.61 0.00 -0.23 -4.63 121.76 122.50 1ug9 s ALA 11 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 1ug9 s ALA 11 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1ug9 s ALA 11 CO 0.00 -1.65 1.41 0.00 0.00 0.00 0.00 175.76 175.52 1ug9 s ALA 12 N -1.95 3.33 0.21 0.00 0.00 -1.26 -4.81 121.76 117.27 1ug9 s ALA 12 Ca 0.74 1.43 0.06 0.00 0.00 0.00 0.00 51.96 54.19 1ug9 s ALA 12 Cb -0.28 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 1ug9 s ALA 12 CO 0.42 -1.06 -0.09 0.00 0.00 0.00 0.00 175.76 175.03 1ug9 s ALA 13 N -1.19 1.86 0.46 0.00 0.00 -1.26 -5.08 121.76 116.56 1ug9 s ALA 13 Ca 0.58 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1ug9 s ALA 13 Cb -0.43 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1ug9 s ALA 13 CO 0.56 -0.07 0.04 -0.08 0.00 0.00 0.00 175.76 176.21 1ug9 s THR 14 N -3.18 1.16 0.00 0.00 -1.32 -1.26 -0.81 115.64 110.22 1ug9 s THR 14 Ca 0.23 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1ug9 s THR 14 Cb 0.02 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 1ug9 s THR 14 CO 0.06 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.26 1ug9 n TRP 15 N -1.10 -0.34 -4.20 9.09 7.02 0.73 -4.64 117.44 124.00 1ug9 n TRP 15 Ca -0.13 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.11 1ug9 n TRP 15 Cb 0.66 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.49 1ug9 n TRP 15 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1ug9 s THR 16 N 1.00 3.89 0.03 -0.99 2.01 -1.20 -3.50 115.64 116.88 1ug9 s THR 16 Ca 0.00 -1.56 -0.39 0.00 0.31 0.00 0.00 61.69 60.06 1ug9 s THR 16 Cb 0.00 -3.04 -0.18 0.00 0.01 0.00 0.00 72.50 69.29 1ug9 s THR 16 CO 0.00 -0.27 1.22 1.17 -0.69 0.00 0.00 174.62 176.05 1ug9 n LYS 17 N -0.69 0.56 0.24 4.92 4.81 -1.26 -3.09 118.16 123.65 1ug9 n LYS 17 Ca -0.08 0.20 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1ug9 n LYS 17 Cb 0.57 -1.77 0.61 0.00 0.02 0.00 0.00 35.03 34.46 1ug9 n LYS 17 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ug9 h GLY 18 N 3.82 0.00 -7.34 3.14 0.00 -1.65 -3.41 103.07 97.64 1ug9 h GLY 18 Ca -0.49 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.28 1ug9 h GLY 18 CO 0.72 0.00 1.01 -0.35 0.00 0.00 0.00 176.54 177.92 1ug9 s ASP 19 N -6.19 6.17 -0.05 0.19 3.68 -0.99 -1.48 116.67 118.00 1ug9 s ASP 19 Ca -0.02 -0.55 -0.24 0.00 2.13 0.00 0.00 52.55 53.88 1ug9 s ASP 19 Cb 0.12 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 39.01 1ug9 s ASP 19 CO 0.61 -1.78 0.72 -0.54 0.13 0.00 0.00 175.17 174.31 1ug9 s LYS 20 N 5.52 4.45 0.54 4.34 -0.14 0.12 -4.76 119.74 129.81 1ug9 s LYS 20 Ca 0.34 0.94 0.31 0.00 -1.36 0.00 0.00 55.97 56.20 1ug9 s LYS 20 Cb -0.09 -3.43 1.53 0.00 -1.68 0.00 0.00 37.83 34.16 1ug9 s LYS 20 CO 0.14 0.10 2.07 0.93 -0.76 0.00 0.00 175.35 177.82 1ug9 h GLU 21 N 6.58 0.00 -1.17 1.68 5.08 -0.51 -3.42 114.58 122.82 1ug9 h GLU 21 Ca -0.42 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.26 1ug9 h GLU 21 Cb 1.20 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.26 1ug9 h GLU 21 CO 0.75 0.08 0.93 0.20 -1.00 0.00 0.00 179.01 179.97 1ug9 s GLY 22 N -4.20 -0.27 0.12 -3.84 0.00 -1.25 -4.04 107.32 93.84 1ug9 s GLY 22 Ca -0.02 1.67 -0.03 0.00 0.00 0.00 0.00 44.72 46.34 1ug9 s GLY 22 CO 0.55 0.53 0.09 -1.34 0.00 0.00 0.00 173.10 172.94 1ug9 s VAL 23 N -2.15 0.12 -0.15 1.40 -7.23 -1.26 -1.44 120.40 109.69 1ug9 s VAL 23 Ca 0.12 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1ug9 s VAL 23 Cb 0.00 -1.88 0.13 0.00 0.56 0.00 0.00 36.38 35.20 1ug9 s VAL 23 CO -0.03 -0.54 1.05 -0.83 -0.31 0.00 0.00 175.10 174.44 1ug9 s GLY 24 N -3.00 -0.26 0.06 2.32 0.00 -0.48 -4.79 107.32 101.17 1ug9 s GLY 24 Ca 0.19 1.89 -0.26 0.00 0.00 0.00 0.00 44.72 46.53 1ug9 s GLY 24 CO -0.01 0.85 0.72 -1.08 0.00 0.00 0.00 173.10 173.58 1ug9 s THR 25 N -1.63 0.00 0.58 0.90 -1.32 -1.26 -1.05 115.64 111.86 1ug9 s THR 25 Ca 0.02 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.37 1ug9 s THR 25 Cb -0.01 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1ug9 s THR 25 CO -0.02 0.00 1.02 -0.94 -2.21 0.00 0.00 174.62 172.46 1ug9 s SER 26 N -2.33 6.32 0.24 8.08 1.04 -1.26 -4.92 113.70 120.87 1ug9 s SER 26 Ca 0.00 1.51 0.05 0.00 0.48 0.00 0.00 55.95 57.99 1ug9 s SER 26 Cb -0.01 -2.49 0.26 0.00 0.10 0.00 0.00 66.02 63.88 1ug9 s SER 26 CO -0.07 -0.80 1.57 0.25 0.98 0.00 0.00 173.24 175.16 1ug9 h LEU 27 N 0.18 0.26 -9.51 2.42 7.12 -1.93 -3.44 115.31 110.41 1ug9 h LEU 27 Ca -0.45 -0.15 -0.53 0.00 0.13 0.00 0.00 57.88 56.88 1ug9 h LEU 27 Cb 1.19 -0.08 0.03 0.00 -0.53 0.00 0.00 40.66 41.27 1ug9 h LEU 27 CO 0.61 0.80 0.93 0.21 -0.13 0.00 0.00 178.44 180.86 1ug9 s ASN 28 N -6.89 6.62 0.00 1.25 3.84 -1.26 -4.92 114.94 113.58 1ug9 s ASN 28 Ca -0.04 2.51 0.24 0.00 0.21 0.00 0.00 52.86 55.78 1ug9 s ASN 28 Cb 0.12 -2.58 1.20 0.00 -0.55 0.00 0.00 41.25 39.45 1ug9 s ASN 28 CO 0.80 -0.84 1.79 -0.81 -2.79 0.00 0.00 177.10 175.24 1ug9 n PRO 29 N 4.86 0.34 0.21 0.43 -0.04 -1.26 -3.24 135.00 136.30 1ug9 n PRO 29 Ca 0.15 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1ug9 n PRO 29 Cb 0.40 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.79 1ug9 n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ug9 h ALA 30 N 3.12 1.12 -2.04 0.55 0.00 -1.88 -3.39 119.26 116.73 1ug9 h ALA 30 Ca 0.00 -0.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.93 1ug9 h ALA 30 Cb 0.22 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 17.77 1ug9 h ALA 30 CO 0.00 0.39 0.04 0.45 0.00 0.00 0.00 179.25 180.13 1ug9 s SER 31 N -6.44 6.20 -0.50 0.00 0.15 -1.20 -4.25 113.70 107.66 1ug9 s SER 31 Ca -0.01 -1.13 -0.04 0.00 0.70 0.00 0.00 55.95 55.47 1ug9 s SER 31 Cb 0.12 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1ug9 s SER 31 CO 0.67 -0.95 2.83 0.29 1.20 0.00 0.00 173.24 177.28 1ug9 n LYS 32 N 6.15 2.57 -4.31 5.44 4.76 -1.26 -4.77 118.16 126.73 1ug9 n LYS 32 Ca -0.08 -2.31 -0.21 0.00 -2.87 0.00 0.00 58.31 52.84 1ug9 n LYS 32 Cb 0.44 -2.18 -0.16 0.00 -1.84 0.00 0.00 35.03 31.29 1ug9 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ug9 s VAL 33 N -1.78 0.71 -0.10 -0.18 1.01 -1.26 -4.27 120.40 114.54 1ug9 s VAL 33 Ca 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ug9 s VAL 33 Cb 0.36 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1ug9 s VAL 33 CO -0.19 0.25 -0.09 0.26 0.00 0.00 0.00 175.10 175.34 1ug9 s TRP 34 N 0.60 1.42 0.13 5.22 0.51 -0.86 -4.44 118.94 121.53 1ug9 s TRP 34 Ca -0.09 -0.65 0.06 0.00 -2.12 0.00 0.00 56.10 53.30 1ug9 s TRP 34 Cb -0.13 -1.15 -0.04 0.00 -0.81 0.00 0.00 33.47 31.34 1ug9 s TRP 34 CO 0.01 -0.43 -0.01 1.52 -0.51 0.00 0.00 176.95 177.53 1ug9 s TYR 35 N 1.38 2.90 0.08 -1.98 -0.85 -0.22 0.35 117.35 119.01 1ug9 s TYR 35 Ca -0.01 -0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1ug9 s TYR 35 Cb -0.14 -1.45 -0.03 0.00 0.38 0.00 0.00 41.96 40.72 1ug9 s TYR 35 CO -0.04 0.49 -0.09 0.95 -1.52 0.00 0.00 175.55 175.34 1ug9 s THR 36 N -1.49 0.76 0.06 -3.49 -4.23 -0.89 -1.38 115.64 104.99 1ug9 s THR 36 Ca 0.26 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1ug9 s THR 36 Cb -0.10 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1ug9 s THR 36 CO 0.18 -0.53 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.78 1ug9 s LEU 37 N -2.19 2.22 -0.14 4.79 1.43 -0.52 -0.61 118.68 123.66 1ug9 s LEU 37 Ca 0.01 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1ug9 s LEU 37 Cb -0.04 -0.82 0.10 0.00 0.03 0.00 0.00 46.19 45.45 1ug9 s LEU 37 CO -0.01 0.08 0.85 -0.89 0.23 0.00 0.00 176.35 176.61 1ug9 s THR 38 N -0.98 0.00 -1.36 5.49 2.01 -0.71 0.24 115.64 120.33 1ug9 s THR 38 Ca 0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1ug9 s THR 38 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1ug9 s THR 38 CO 0.03 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.34 1ug9 n GLU 39 N 1.16 -1.64 -0.78 4.92 -0.58 -1.26 -0.64 120.64 121.82 1ug9 n GLU 39 Ca -0.14 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1ug9 n GLU 39 Cb 0.57 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 1ug9 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ug9 n GLY 40 N -0.50 0.61 3.57 0.62 0.00 -1.26 -4.62 105.19 103.61 1ug9 n GLY 40 Ca -0.15 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1ug9 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ug9 s THR 41 N -2.00 0.93 -0.22 2.61 -4.23 0.18 -4.84 115.64 108.08 1ug9 s THR 41 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1ug9 s THR 41 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1ug9 s THR 41 CO 0.00 0.00 0.28 -0.32 -0.54 0.00 0.00 174.62 174.04 1ug9 s MET 42 N -3.79 4.13 0.00 3.99 -2.45 -0.85 -1.73 119.30 118.60 1ug9 s MET 42 Ca 0.23 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.64 1ug9 s MET 42 Cb 0.04 -3.53 0.00 0.00 1.25 0.00 0.00 34.83 32.59 1ug9 s MET 42 CO 0.12 0.03 0.00 -1.13 1.05 0.00 0.00 175.02 175.09 1ug9 n SER 43 N 4.32 0.00 -4.74 1.11 3.41 0.22 -1.48 113.62 116.46 1ug9 n SER 43 Ca -0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.07 1ug9 n SER 43 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1ug9 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ug9 n GLU 44 N 0.00 2.68 -4.11 4.33 4.71 -1.25 -4.39 120.64 122.62 1ug9 n GLU 44 Ca 0.00 0.96 -0.33 0.00 -0.01 0.00 0.00 57.16 57.78 1ug9 n GLU 44 Cb 0.00 -2.74 -0.16 0.00 -1.01 0.00 0.00 31.44 27.53 1ug9 n GLU 44 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ug9 s VAL 45 N 0.17 2.05 0.28 2.62 1.01 -1.26 -2.09 120.40 123.19 1ug9 s VAL 45 Ca 0.66 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1ug9 s VAL 45 Cb -0.51 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1ug9 s VAL 45 CO 0.46 0.44 0.72 -0.31 0.00 0.00 0.00 175.10 176.41 1ug9 s TYR 46 N 1.27 3.46 0.00 5.22 2.02 0.16 -1.82 117.35 127.66 1ug9 s TYR 46 Ca 0.03 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 1ug9 s TYR 46 Cb -0.14 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 1ug9 s TYR 46 CO -0.12 0.18 0.00 0.98 -1.57 0.00 0.00 175.55 175.02 1ug9 n TYR 47 N -0.01 0.00 1.26 2.71 4.19 -0.50 -2.03 117.16 122.78 1ug9 n TYR 47 Ca 0.01 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.35 1ug9 n TYR 47 Cb 0.52 0.00 0.40 0.00 0.49 0.00 0.00 39.34 40.76 1ug9 n TYR 47 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ug9 n PRO 48 N -0.13 1.82 -4.39 2.98 -0.04 -1.26 -4.67 135.00 129.31 1ug9 n PRO 48 Ca 0.00 -1.21 -0.28 0.00 -0.04 0.00 0.00 63.50 61.97 1ug9 n PRO 48 Cb 0.00 -1.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.88 1ug9 n PRO 48 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ug9 s HIS 49 N -1.89 2.24 -1.48 0.54 3.76 -1.26 -4.70 115.29 112.51 1ug9 s HIS 49 Ca 0.35 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1ug9 s HIS 49 Cb 0.20 -1.18 0.22 0.00 1.11 0.00 0.00 32.58 32.92 1ug9 s HIS 49 CO 0.30 0.37 0.94 0.00 -0.85 0.00 0.00 174.74 175.50 1ug9 n ALA 50 N 0.75 1.41 -0.66 -1.40 0.00 -1.26 -1.66 120.51 117.69 1ug9 n ALA 50 Ca -0.17 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1ug9 n ALA 50 Cb 0.54 -1.07 0.29 0.00 0.00 0.00 0.00 19.45 19.21 1ug9 n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ug9 n ASP 51 N -1.26 4.18 -3.69 0.00 5.68 -1.26 -4.80 116.55 115.40 1ug9 n ASP 51 Ca 0.02 -2.57 -0.29 0.00 -0.50 0.00 0.00 54.79 51.45 1ug9 n ASP 51 Cb 0.03 -0.50 -0.15 0.00 -1.14 0.00 0.00 41.12 39.36 1ug9 n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ug9 s THR 52 N -2.04 0.58 0.38 2.12 2.01 -0.66 -4.91 115.64 113.11 1ug9 s THR 52 Ca 0.43 -1.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 1ug9 s THR 52 Cb 0.29 -1.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 1ug9 s THR 52 CO 0.17 -0.56 0.97 -2.16 -0.69 0.00 0.00 174.62 172.35 1ug9 s PRO 53 N 1.79 4.36 0.00 4.92 0.04 -1.26 -1.42 135.00 143.43 1ug9 s PRO 53 Ca 0.07 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1ug9 s PRO 53 Cb -0.17 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1ug9 s PRO 53 CO -0.23 0.07 0.10 0.09 0.04 0.00 0.00 177.00 177.07 1ug9 n ASN 54 N 0.02 0.19 -4.30 6.66 3.02 -0.75 -0.04 115.26 120.05 1ug9 n ASN 54 Ca 0.04 -0.66 -0.16 0.00 -0.03 0.00 0.00 54.58 53.76 1ug9 n ASN 54 Cb 0.51 0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.71 1ug9 n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ug9 s THR 55 N -0.13 1.38 0.07 3.41 2.01 -1.26 0.50 115.64 121.63 1ug9 s THR 55 Ca 0.00 -2.11 0.00 0.00 0.31 0.00 0.00 61.69 59.89 1ug9 s THR 55 Cb 0.00 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1ug9 s THR 55 CO 0.00 -0.62 0.00 -1.14 -0.69 0.00 0.00 174.62 172.17 1ug9 n ARG 56 N -0.31 0.00 -3.70 4.92 0.63 -0.87 -3.78 116.66 113.55 1ug9 n ARG 56 Ca -0.09 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.71 1ug9 n ARG 56 Cb 0.61 -0.49 -0.09 0.00 0.45 0.00 0.00 32.46 32.93 1ug9 n ARG 56 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ug9 s GLU 57 N -2.00 0.59 -0.10 -0.14 2.12 -1.04 -4.16 118.70 113.97 1ug9 s GLU 57 Ca 0.00 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.04 1ug9 s GLU 57 Cb 0.00 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.69 1ug9 s GLU 57 CO 0.00 -0.08 0.06 -1.17 -0.54 0.00 0.00 175.26 173.53 1ug9 s LEU 58 N 0.41 0.33 0.00 2.70 0.20 -0.55 -0.89 118.68 120.89 1ug9 s LEU 58 Ca -0.01 -0.26 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 1ug9 s LEU 58 Cb -0.04 -0.24 0.01 0.00 -0.43 0.00 0.00 46.19 45.49 1ug9 s LEU 58 CO -0.01 -0.29 0.40 0.00 -0.29 0.00 0.00 176.35 176.16 1ug9 n GLN 59 N 5.26 0.57 -4.25 1.98 10.64 -0.46 -2.01 117.38 129.12 1ug9 n GLN 59 Ca -0.05 -1.98 -0.28 0.00 -1.83 0.00 0.00 57.00 52.86 1ug9 n GLN 59 Cb 0.49 1.99 -0.09 0.00 -0.86 0.00 0.00 30.24 31.77 1ug9 n GLN 59 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1ug9 s PHE 60 N -3.59 2.71 -0.03 2.61 0.08 -1.26 0.74 117.98 119.25 1ug9 s PHE 60 Ca 0.20 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.12 1ug9 s PHE 60 Cb -0.01 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 1ug9 s PHE 60 CO 0.14 0.49 -0.19 0.00 -0.10 0.00 0.00 175.22 175.56 1ug9 s ALA 61 N -1.56 1.60 -0.02 5.36 0.00 -0.10 -2.69 121.76 124.34 1ug9 s ALA 61 Ca 0.24 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1ug9 s ALA 61 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1ug9 s ALA 61 CO 0.16 0.36 -0.19 0.54 0.00 0.00 0.00 175.76 176.62 1ug9 s VAL 62 N -0.29 1.53 0.13 0.00 0.11 -0.48 -0.82 120.40 120.58 1ug9 s VAL 62 Ca 0.03 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1ug9 s VAL 62 Cb -0.09 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1ug9 s VAL 62 CO 0.00 0.43 -0.14 -0.55 -3.33 0.00 0.00 175.10 171.52 1ug9 s SER 63 N -0.36 2.02 0.00 3.54 0.15 -0.20 -0.36 113.70 118.49 1ug9 s SER 63 Ca 0.05 -0.85 0.20 0.00 0.70 0.00 0.00 55.95 56.05 1ug9 s SER 63 Cb -0.08 -0.07 0.28 0.00 -1.71 0.00 0.00 66.02 64.44 1ug9 s SER 63 CO -0.00 -0.17 1.24 -0.90 1.20 0.00 0.00 173.24 174.61 1ug9 n ASP 64 N 0.37 2.99 0.00 5.45 5.68 -0.44 -1.03 116.55 129.56 1ug9 n ASP 64 Ca -0.14 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1ug9 n ASP 64 Cb 0.58 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1ug9 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ug9 n GLY 65 N 1.20 1.90 0.17 6.12 0.00 -1.26 -4.80 105.19 108.53 1ug9 n GLY 65 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ug9 n GLY 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ug9 n THR 66 N -1.61 0.00 -4.51 2.61 -1.04 -1.26 -4.59 114.28 103.88 1ug9 n THR 66 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1ug9 n THR 66 Cb 0.00 -0.45 -0.13 0.00 -1.82 0.00 0.00 70.33 67.93 1ug9 n THR 66 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ug9 s SER 67 N -3.85 3.11 0.07 8.00 0.01 -1.26 -2.76 113.70 117.02 1ug9 s SER 67 Ca 0.00 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.62 1ug9 s SER 67 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1ug9 s SER 67 CO 0.00 0.18 -0.14 0.00 0.41 0.00 0.00 173.24 173.69 1ug9 s ALA 68 N -1.00 1.12 0.11 1.44 0.00 -1.26 -1.33 121.76 120.83 1ug9 s ALA 68 Ca 0.12 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1ug9 s ALA 68 Cb -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1ug9 s ALA 68 CO 0.05 0.15 -0.09 -0.65 0.00 0.00 0.00 175.76 175.22 1ug9 s GLN 69 N -1.72 0.88 0.04 0.00 -0.21 0.51 -4.82 119.66 114.34 1ug9 s GLN 69 Ca -0.03 -1.28 0.04 0.00 0.02 0.00 0.00 55.36 54.12 1ug9 s GLN 69 Cb -0.10 -0.41 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 1ug9 s GLN 69 CO 0.02 0.04 -0.05 1.03 -2.12 0.00 0.00 175.29 174.21 1ug9 s ARG 70 N -3.36 2.52 0.43 2.91 0.52 -1.26 -1.38 118.95 119.33 1ug9 s ARG 70 Ca 0.10 -0.78 0.23 0.00 -0.52 0.00 0.00 55.73 54.76 1ug9 s ARG 70 Cb 0.01 -2.51 0.91 0.00 0.52 0.00 0.00 34.95 33.88 1ug9 s ARG 70 CO -0.02 0.58 1.82 1.05 0.02 0.00 0.00 175.30 178.75 1ug9 h GLU 71 N 4.10 0.00 0.00 3.54 4.11 -1.91 -2.45 114.58 121.96 1ug9 h GLU 71 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1ug9 h GLU 71 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ug9 h GLU 71 CO 0.55 0.25 0.00 -1.13 0.07 0.00 0.00 179.01 178.75 1ug9 n SER 72 N -3.43 0.00 -0.27 3.06 3.41 -1.26 -1.45 113.62 113.67 1ug9 n SER 72 Ca -0.00 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 59.11 1ug9 n SER 72 Cb 0.43 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1ug9 n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ug9 n GLU 73 N -1.47 1.94 -2.56 4.33 1.02 -0.92 -4.92 120.64 118.05 1ug9 n GLU 73 Ca 0.02 -0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 56.06 1ug9 n GLU 73 Cb 0.10 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 1ug9 n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ug9 s GLN 74 N -1.53 4.03 0.56 3.49 -1.52 -0.53 -4.89 119.66 119.27 1ug9 s GLN 74 Ca 0.10 1.16 0.28 0.00 -1.95 0.00 0.00 55.36 54.94 1ug9 s GLN 74 Cb 0.10 -3.78 1.48 0.00 -0.22 0.00 0.00 33.01 30.59 1ug9 s GLN 74 CO 0.30 -0.96 1.97 1.79 -0.25 0.00 0.00 175.29 178.15 1ug9 h THR 75 N 5.79 0.54 -3.27 -0.19 1.35 -1.87 -3.37 112.91 111.89 1ug9 h THR 75 Ca -0.23 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.90 1ug9 h THR 75 Cb 1.07 0.70 -0.29 0.00 -1.73 0.00 0.00 68.15 67.91 1ug9 h THR 75 CO 1.03 0.00 -0.37 0.28 -0.25 0.00 0.00 175.52 176.21 1ug9 s THR 76 N -4.80 4.33 -0.12 6.82 -1.32 -1.26 -5.03 115.64 114.25 1ug9 s THR 76 Ca -0.05 -1.75 -0.14 0.00 -1.21 0.00 0.00 61.69 58.54 1ug9 s THR 76 Cb 0.18 -3.84 0.04 0.00 -1.51 0.00 0.00 72.50 67.36 1ug9 s THR 76 CO 0.64 -0.79 0.38 0.00 -2.21 0.00 0.00 174.62 172.64 1ug9 s ARG 77 N 1.39 0.49 0.28 7.08 1.70 -1.26 -1.36 118.95 127.26 1ug9 s ARG 77 Ca 0.05 0.42 0.11 0.00 -0.47 0.00 0.00 55.73 55.85 1ug9 s ARG 77 Cb -0.27 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 1ug9 s ARG 77 CO -0.00 -0.08 -0.18 0.95 -1.08 0.00 0.00 175.30 174.91 1ug9 s THR 78 N -0.04 2.34 -0.00 4.99 -4.23 0.07 -4.93 115.64 113.83 1ug9 s THR 78 Ca -0.02 -2.36 0.03 0.00 -1.18 0.00 0.00 61.69 58.16 1ug9 s THR 78 Cb -0.03 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1ug9 s THR 78 CO 0.01 -0.41 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.90 1ug9 s VAL 79 N -2.59 0.73 -0.16 2.29 1.01 -1.26 -0.65 120.40 119.76 1ug9 s VAL 79 Ca 0.29 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1ug9 s VAL 79 Cb -0.04 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.80 1ug9 s VAL 79 CO 0.14 0.18 0.73 -1.83 0.00 0.00 0.00 175.10 174.32 1ug9 s GLU 80 N -0.28 0.91 0.10 2.72 -1.05 -0.89 -4.77 118.70 115.44 1ug9 s GLU 80 Ca 0.03 0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 55.14 1ug9 s GLU 80 Cb -0.04 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 34.03 1ug9 s GLU 80 CO -0.00 -0.21 1.12 -0.48 0.95 0.00 0.00 175.26 176.64 1ug9 s LEU 81 N -0.42 4.42 0.11 1.83 2.34 -1.26 -0.55 118.68 125.15 1ug9 s LEU 81 Ca -0.05 1.99 0.26 0.00 0.06 0.00 0.00 54.13 56.39 1ug9 s LEU 81 Cb -0.02 -3.59 0.97 0.00 -0.56 0.00 0.00 46.19 42.99 1ug9 s LEU 81 CO 0.05 -0.33 1.79 0.00 -1.06 0.00 0.00 176.35 176.80 1ug9 n ALA 82 N 3.26 2.16 -3.67 1.48 0.00 0.16 -4.73 120.51 119.18 1ug9 n ALA 82 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ug9 n ALA 82 Cb 0.47 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 1ug9 n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ug9 s ASP 83 N -3.74 -0.08 0.00 0.00 3.68 -1.25 -5.03 116.67 110.25 1ug9 s ASP 83 Ca 0.11 0.81 0.02 0.00 2.13 0.00 0.00 52.55 55.63 1ug9 s ASP 83 Cb 0.14 0.99 0.12 0.00 -1.45 0.00 0.00 42.92 42.73 1ug9 s ASP 83 CO 0.51 -0.23 0.92 -0.81 0.13 0.00 0.00 175.17 175.69 1ug9 n PRO 84 N 5.15 0.03 -0.36 4.34 -0.04 -1.26 -2.29 135.00 140.57 1ug9 n PRO 84 Ca -0.11 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1ug9 n PRO 84 Cb 0.50 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1ug9 n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ug9 n LYS 85 N -1.32 0.80 -3.65 0.54 4.76 -1.26 -4.82 118.16 113.22 1ug9 n LYS 85 Ca 0.01 -2.09 -0.15 0.00 -2.87 0.00 0.00 58.31 53.22 1ug9 n LYS 85 Cb 0.02 -1.08 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 1ug9 n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ug9 s ALA 86 N -1.77 -1.21 -1.36 7.82 0.00 -0.97 -3.05 121.76 121.22 1ug9 s ALA 86 Ca 0.22 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1ug9 s ALA 86 Cb 0.20 0.11 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1ug9 s ALA 86 CO -0.00 -0.34 2.07 1.28 0.00 0.00 0.00 175.76 178.76 1ug9 n LEU 87 N 0.97 6.86 -4.04 0.00 4.77 -1.26 -4.45 117.00 119.85 1ug9 n LEU 87 Ca -0.20 -4.44 -0.28 0.00 -0.03 0.00 0.00 56.01 51.06 1ug9 n LEU 87 Cb 0.57 -1.55 -0.17 0.00 -2.33 0.00 0.00 43.42 39.95 1ug9 n LEU 87 CO 0.22 1.32 -0.49 -0.55 -1.33 0.00 0.00 177.39 176.56 1ug9 s SER 88 N 1.82 2.39 0.18 -1.43 0.15 -1.26 -4.64 113.70 110.91 1ug9 s SER 88 Ca 0.44 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.77 1ug9 s SER 88 Cb 0.12 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.33 1ug9 s SER 88 CO -0.04 -0.00 -0.12 -0.31 1.20 0.00 0.00 173.24 173.97 1ug9 s TYR 89 N 1.08 2.57 -0.14 3.44 2.02 -1.23 0.40 117.35 125.48 1ug9 s TYR 89 Ca -0.05 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1ug9 s TYR 89 Cb -0.15 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1ug9 s TYR 89 CO -0.03 0.51 -0.11 0.50 -1.57 0.00 0.00 175.55 174.85 1ug9 s ARG 90 N -2.81 1.97 -0.08 -0.62 3.52 0.28 -0.34 118.95 120.87 1ug9 s ARG 90 Ca 0.24 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 1ug9 s ARG 90 Cb -0.09 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1ug9 s ARG 90 CO 0.14 -0.28 0.08 -0.65 -0.81 0.00 0.00 175.30 173.78 1ug9 s GLN 91 N 1.56 3.19 -0.07 5.12 -0.21 0.13 -2.09 119.66 127.30 1ug9 s GLN 91 Ca 0.04 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.13 1ug9 s GLN 91 Cb -0.13 -2.97 0.01 0.00 1.00 0.00 0.00 33.01 30.92 1ug9 s GLN 91 CO -0.09 0.72 -0.12 0.99 -2.12 0.00 0.00 175.29 174.66 1ug9 s THR 92 N -1.01 1.15 -0.09 -0.19 2.01 0.17 -0.23 115.64 117.46 1ug9 s THR 92 Ca 0.16 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1ug9 s THR 92 Cb -0.12 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1ug9 s THR 92 CO 0.06 0.36 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.25 1ug9 s THR 93 N 0.67 1.79 -0.06 -0.82 2.01 0.74 -0.75 115.64 119.21 1ug9 s THR 93 Ca -0.14 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1ug9 s THR 93 Cb -0.16 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.79 1ug9 s THR 93 CO 0.04 0.50 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.38 1ug9 s THR 94 N 0.40 1.63 0.29 -0.82 2.01 -0.46 -0.09 115.64 118.60 1ug9 s THR 94 Ca -0.17 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1ug9 s THR 94 Cb -0.17 -1.40 -0.13 0.00 0.01 0.00 0.00 72.50 70.81 1ug9 s THR 94 CO 0.07 0.46 1.39 -0.67 -0.69 0.00 0.00 174.62 175.18 1ug9 n ASP 95 N 3.21 2.93 0.30 3.53 2.03 -0.74 -4.36 116.55 123.45 1ug9 n ASP 95 Ca -0.19 1.17 0.16 0.00 0.52 0.00 0.00 54.79 56.45 1ug9 n ASP 95 Cb 0.53 -1.48 0.85 0.00 -0.72 0.00 0.00 41.12 40.30 1ug9 n ASP 95 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1ug9 h ASN 96 N 3.63 0.00 -0.18 1.67 2.35 -1.93 0.66 115.58 121.77 1ug9 h ASN 96 Ca -0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 1ug9 h ASN 96 Cb 1.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 1ug9 h ASN 96 CO 0.71 0.00 -0.05 0.00 -1.65 0.00 0.00 177.43 176.44 1ug9 n ALA 97 N -1.89 3.07 -2.96 -0.83 0.00 -1.26 -4.99 120.51 111.65 1ug9 n ALA 97 Ca -0.02 -2.64 -0.14 0.00 0.00 0.00 0.00 53.44 50.64 1ug9 n ALA 97 Cb 0.27 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 1ug9 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug9 n GLY 98 N -0.95 -0.48 0.11 0.00 0.00 0.23 -4.83 105.19 99.26 1ug9 n GLY 98 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ug9 n GLY 98 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ug9 h ARG 99 N -0.36 0.00 -3.92 1.61 3.08 -1.93 -3.44 114.38 109.42 1ug9 h ARG 99 Ca -0.25 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 1ug9 h ARG 99 Cb 1.17 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.10 1ug9 h ARG 99 CO 0.33 0.47 -0.33 1.67 -1.07 0.00 0.00 179.97 181.04 1ug9 s TRP 100 N -2.90 0.45 -0.09 3.04 -2.14 -1.26 0.48 118.94 116.52 1ug9 s TRP 100 Ca 0.00 -0.80 -0.05 0.00 2.66 0.00 0.00 56.10 57.91 1ug9 s TRP 100 Cb 0.08 -0.07 0.04 0.00 -3.10 0.00 0.00 33.47 30.42 1ug9 s TRP 100 CO 0.79 -0.73 0.22 0.50 -2.66 0.00 0.00 176.95 175.06 1ug9 s ARG 101 N -3.98 0.19 -0.09 3.25 3.52 0.12 -1.80 118.95 120.16 1ug9 s ARG 101 Ca 0.19 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.27 1ug9 s ARG 101 Cb 0.03 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 1ug9 s ARG 101 CO 0.01 -0.15 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.72 1ug9 s LEU 102 N 1.09 2.76 -0.12 -0.88 1.43 0.87 -0.71 118.68 123.12 1ug9 s LEU 102 Ca -0.08 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1ug9 s LEU 102 Cb -0.09 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1ug9 s LEU 102 CO -0.07 0.26 -0.11 -0.89 0.23 0.00 0.00 176.35 175.77 1ug9 s THR 103 N -0.21 1.29 -0.08 5.49 2.01 -0.34 -0.19 115.64 123.61 1ug9 s THR 103 Ca 0.01 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1ug9 s THR 103 Cb -0.13 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1ug9 s THR 103 CO 0.03 0.41 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.61 1ug9 s LYS 104 N 1.43 2.62 -0.12 4.92 1.02 0.68 -1.28 119.74 129.01 1ug9 s LYS 104 Ca 0.01 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.22 1ug9 s LYS 104 Cb -0.13 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1ug9 s LYS 104 CO -0.07 0.22 -0.17 0.99 -0.92 0.00 0.00 175.35 175.40 1ug9 s THR 105 N 0.22 1.64 0.08 2.17 2.01 -0.31 0.21 115.64 121.66 1ug9 s THR 105 Ca -0.13 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 1ug9 s THR 105 Cb -0.16 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1ug9 s THR 105 CO 0.06 0.47 0.33 -0.31 -0.69 0.00 0.00 174.62 174.48 1ug9 s TYR 106 N 1.00 3.53 0.16 4.92 1.51 0.54 -0.88 117.35 128.13 1ug9 s TYR 106 Ca -0.05 0.58 -0.25 0.00 -1.01 0.00 0.00 57.07 56.33 1ug9 s TYR 106 Cb -0.15 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 39.76 1ug9 s TYR 106 CO -0.03 0.52 0.95 0.54 -1.11 0.00 0.00 175.55 176.42 1ug9 s VAL 107 N -1.49 0.00 0.08 0.71 0.11 -0.95 -3.55 120.40 115.32 1ug9 s VAL 107 Ca 0.35 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1ug9 s VAL 107 Cb -0.13 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1ug9 s VAL 107 CO 0.21 0.00 -0.08 0.42 -3.33 0.00 0.00 175.10 172.32 1ug9 s THR 108 N -3.32 0.71 -0.48 5.04 -4.23 -1.26 -0.57 115.64 111.52 1ug9 s THR 108 Ca 0.12 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1ug9 s THR 108 Cb -0.02 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1ug9 s THR 108 CO 0.02 -0.62 1.16 -0.62 -0.54 0.00 0.00 174.62 174.02 1ug9 s ASP 109 N -2.39 6.60 0.64 3.99 3.68 -0.51 -4.68 116.67 124.01 1ug9 s ASP 109 Ca 0.03 0.45 0.36 0.00 2.13 0.00 0.00 52.55 55.52 1ug9 s ASP 109 Cb -0.02 -2.55 1.98 0.00 -1.45 0.00 0.00 42.92 40.88 1ug9 s ASP 109 CO -0.02 -1.29 2.18 1.55 0.13 0.00 0.00 175.17 177.72 1ug9 h PRO 110 N 9.35 0.00 0.00 4.34 0.13 -1.90 -2.68 132.00 141.25 1ug9 h PRO 110 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ug9 h PRO 110 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ug9 h PRO 110 CO 1.13 0.00 -1.10 0.54 -0.23 0.00 0.00 178.00 178.34 1ug9 n ARG 111 N -3.27 0.54 -3.89 0.86 1.74 -1.26 -3.52 116.66 107.87 1ug9 n ARG 111 Ca -0.02 0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 1ug9 n ARG 111 Cb 0.22 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1ug9 n ARG 111 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ug9 s ARG 112 N -3.35 1.23 -1.25 5.56 1.70 -1.01 -4.51 118.95 117.33 1ug9 s ARG 112 Ca -0.00 -1.08 -0.20 0.00 -0.47 0.00 0.00 55.73 53.98 1ug9 s ARG 112 Cb 0.11 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1ug9 s ARG 112 CO 0.80 -0.48 1.84 0.43 -1.08 0.00 0.00 175.30 176.81 1ug9 n SER 113 N -0.26 4.06 -3.80 -2.89 7.64 -1.26 -4.31 113.62 112.80 1ug9 n SER 113 Ca -0.08 -2.82 -0.14 0.00 1.01 0.00 0.00 58.87 56.84 1ug9 n SER 113 Cb 0.63 -1.73 -0.15 0.00 -1.01 0.00 0.00 64.21 61.94 1ug9 n SER 113 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ug9 s THR 114 N 7.20 -0.04 -0.21 0.44 2.01 -1.26 -0.95 115.64 122.83 1ug9 s THR 114 Ca 0.60 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 1ug9 s THR 114 Cb 0.02 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.41 1ug9 s THR 114 CO 0.10 0.06 0.12 -0.69 -0.69 0.00 0.00 174.62 173.52 1ug9 s VAL 115 N 0.70 5.23 0.08 3.82 1.01 -0.14 -1.42 120.40 129.68 1ug9 s VAL 115 Ca -0.06 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1ug9 s VAL 115 Cb -0.08 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1ug9 s VAL 115 CO -0.02 0.42 -0.16 -0.04 0.00 0.00 0.00 175.10 175.30 1ug9 s MET 116 N 0.56 2.01 -0.10 2.72 -1.94 0.26 -0.92 119.30 121.91 1ug9 s MET 116 Ca 0.07 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 1ug9 s MET 116 Cb -0.12 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.52 1ug9 s MET 116 CO 0.00 0.52 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.20 1ug9 s LEU 117 N -1.85 1.75 -0.38 -0.03 0.20 -0.36 -2.23 118.68 115.78 1ug9 s LEU 117 Ca 0.17 -0.41 -0.13 0.00 0.69 0.00 0.00 54.13 54.45 1ug9 s LEU 117 Cb -0.11 -1.07 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1ug9 s LEU 117 CO 0.09 0.04 0.26 -0.83 -0.29 0.00 0.00 176.35 175.61 1ug9 s GLY 118 N 0.84 1.97 0.04 7.98 0.00 -0.06 -1.39 107.32 116.70 1ug9 s GLY 118 Ca -0.10 -1.59 0.07 0.00 0.00 0.00 0.00 44.72 43.11 1ug9 s GLY 118 CO 0.01 0.85 -0.19 0.14 0.00 0.00 0.00 173.10 173.90 1ug9 s VAL 119 N 1.67 2.68 -0.08 1.40 1.01 0.17 -1.16 120.40 126.09 1ug9 s VAL 119 Ca 0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 1ug9 s VAL 119 Cb -0.18 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1ug9 s VAL 119 CO 0.09 0.35 -0.04 -0.89 0.00 0.00 0.00 175.10 174.61 1ug9 s THR 120 N -0.90 0.70 -0.19 3.92 2.01 -0.41 -1.72 115.64 119.06 1ug9 s THR 120 Ca 0.14 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1ug9 s THR 120 Cb -0.10 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1ug9 s THR 120 CO 0.05 0.30 -0.08 0.12 -0.69 0.00 0.00 174.62 174.32 1ug9 s PHE 121 N 1.65 2.90 -0.15 4.92 5.99 -0.30 -1.20 117.98 131.80 1ug9 s PHE 121 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 56.93 56.08 1ug9 s PHE 121 Cb -0.13 -2.01 0.00 0.00 0.00 0.00 0.00 43.02 40.89 1ug9 s PHE 121 CO -0.05 -0.45 -0.18 -1.21 -0.00 0.00 0.00 175.22 173.33 1ug9 s GLU 122 N 1.08 3.12 -0.25 10.12 2.02 0.11 -0.82 118.70 134.08 1ug9 s GLU 122 Ca 0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 1ug9 s GLU 122 Cb -0.15 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1ug9 s GLU 122 CO -0.01 0.01 0.30 0.08 0.02 0.00 0.00 175.26 175.65 1ug9 s VAL 123 N 0.80 5.24 -2.19 2.63 1.01 -0.10 -0.70 120.40 127.09 1ug9 s VAL 123 Ca -0.06 0.44 0.21 0.00 0.00 0.00 0.00 61.98 62.56 1ug9 s VAL 123 Cb -0.15 -3.63 0.40 0.00 0.00 0.00 0.00 36.38 33.00 1ug9 s VAL 123 CO -0.01 0.23 1.35 0.18 0.00 0.00 0.00 175.10 176.86 1ug9 n LEU 124 N 4.88 3.34 0.00 3.92 4.77 0.18 -4.76 117.00 129.34 1ug9 n LEU 124 Ca -0.11 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1ug9 n LEU 124 Cb 0.51 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ug9 n LEU 124 CO 0.36 0.74 0.00 0.47 -1.33 0.00 0.00 177.39 177.63 1ug9 n ASP 125 N 1.35 0.02 0.23 -1.43 10.43 -1.15 -4.96 116.55 121.04 1ug9 n ASP 125 Ca 0.18 0.00 0.15 0.00 2.57 0.00 0.00 54.79 57.69 1ug9 n ASP 125 Cb 0.57 0.00 0.52 0.00 1.84 0.00 0.00 41.12 44.05 1ug9 n ASP 125 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1ug9 h GLY 126 N 0.00 0.00 0.00 0.44 0.00 -1.93 -3.49 103.07 98.09 1ug9 h GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ug9 h GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ug9 n GLY 127 N 0.37 -0.46 1.92 4.60 0.00 -1.26 -5.08 105.19 105.28 1ug9 n GLY 127 Ca 0.02 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 1ug9 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ug9 n ASP 128 N 0.00 -3.37 -4.14 1.61 8.00 -1.26 -5.09 116.55 112.30 1ug9 n ASP 128 Ca 0.00 -0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.25 1ug9 n ASP 128 Cb 0.00 -1.95 -0.11 0.00 -0.02 0.00 0.00 41.12 39.04 1ug9 n ASP 128 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ug9 s TYR 129 N -3.04 1.01 -0.05 1.24 2.02 -1.26 -4.70 117.35 112.57 1ug9 s TYR 129 Ca 0.05 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1ug9 s TYR 129 Cb -0.01 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 1ug9 s TYR 129 CO 0.19 0.00 -0.16 -0.65 -1.57 0.00 0.00 175.55 173.37 1ug9 s GLN 130 N -1.94 2.48 -0.06 -0.62 1.11 -0.20 -4.96 119.66 115.47 1ug9 s GLN 130 Ca -0.03 -0.72 0.05 0.00 0.01 0.00 0.00 55.36 54.67 1ug9 s GLN 130 Cb -0.08 -2.35 -0.01 0.00 -1.01 0.00 0.00 33.01 29.56 1ug9 s GLN 130 CO 0.01 0.61 -0.22 -1.17 0.01 0.00 0.00 175.29 174.52 1ug9 s LEU 131 N -0.69 2.23 0.00 2.90 2.96 -1.26 -1.03 118.68 123.79 1ug9 s LEU 131 Ca 0.11 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ug9 s LEU 131 Cb -0.11 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1ug9 s LEU 131 CO 0.00 0.26 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.88 1ug9 s PHE 132 N -0.23 0.45 0.04 5.38 0.40 -0.00 -0.26 117.98 123.76 1ug9 s PHE 132 Ca -0.01 -0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 55.98 1ug9 s PHE 132 Cb -0.13 -0.29 -0.06 0.00 0.51 0.00 0.00 43.02 43.05 1ug9 s PHE 132 CO 0.03 -0.02 0.51 0.08 0.70 0.00 0.00 175.22 176.52 1ug9 s VAL 133 N -0.34 4.86 -0.25 -0.44 1.01 0.90 -0.93 120.40 125.21 1ug9 s VAL 133 Ca -0.01 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 1ug9 s VAL 133 Cb -0.03 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1ug9 s VAL 133 CO -0.00 0.55 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1ug9 s LEU 134 N -0.98 3.20 -0.28 3.92 1.43 0.23 -2.00 118.68 124.21 1ug9 s LEU 134 Ca 0.27 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1ug9 s LEU 134 Cb -0.18 -1.66 0.08 0.00 0.03 0.00 0.00 46.19 44.45 1ug9 s LEU 134 CO 0.17 -0.13 -0.01 -0.55 0.23 0.00 0.00 176.35 176.05 1ug9 s SER 135 N 1.32 4.22 -0.46 2.29 0.15 0.07 -1.35 113.70 119.94 1ug9 s SER 135 Ca -0.00 -1.54 -0.08 0.00 0.70 0.00 0.00 55.95 55.03 1ug9 s SER 135 Cb -0.17 -1.32 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 1ug9 s SER 135 CO -0.04 -0.29 0.32 -0.62 1.20 0.00 0.00 173.24 173.80 1ug9 s ASP 136 N 1.25 5.61 0.57 5.45 3.68 -0.07 -0.63 116.67 132.53 1ug9 s ASP 136 Ca 0.00 -1.95 -0.05 0.00 2.13 0.00 0.00 52.55 52.68 1ug9 s ASP 136 Cb -0.19 -1.97 0.00 0.00 -1.45 0.00 0.00 42.92 39.31 1ug9 s ASP 136 CO -0.09 -0.66 0.87 -2.16 0.13 0.00 0.00 175.17 173.26 1ug9 s PRO 137 N 1.30 3.00 -0.35 4.34 0.04 -1.26 -2.05 135.00 140.02 1ug9 s PRO 137 Ca 0.06 -0.02 0.15 0.00 0.04 0.00 0.00 61.00 61.23 1ug9 s PRO 137 Cb -0.25 -2.30 0.41 0.00 0.04 0.00 0.00 34.50 32.39 1ug9 s PRO 137 CO -0.02 -0.62 0.88 0.43 0.04 0.00 0.00 177.00 177.72 1ug9 n SER 138 N -2.51 0.94 -4.56 6.66 7.64 0.18 -4.71 113.62 117.26 1ug9 n SER 138 Ca 0.04 -2.86 -0.51 0.00 1.01 0.00 0.00 58.87 56.55 1ug9 n SER 138 Cb 0.57 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1ug9 n SER 138 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ug9 n LEU 139 N 0.08 1.15 -2.03 -3.43 4.77 -0.42 -2.69 117.00 114.44 1ug9 n LEU 139 Ca 0.15 1.14 -0.16 0.00 -0.03 0.00 0.00 56.01 57.11 1ug9 n LEU 139 Cb 0.75 -1.15 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1ug9 n LEU 139 CO 0.22 -1.43 -0.07 0.00 -1.33 0.00 0.00 177.39 174.78 1ug9 n ALA 140 N 1.69 -0.60 -1.27 -1.18 0.00 -1.25 -3.15 120.51 114.75 1ug9 n ALA 140 Ca 0.17 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 1ug9 n ALA 140 Cb 0.21 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1ug9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug9 n GLY 141 N -1.20 1.08 2.86 0.00 0.00 0.95 -4.96 105.19 103.92 1ug9 n GLY 141 Ca -0.12 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1ug9 n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ug9 s THR 142 N -2.29 -0.03 -0.33 2.61 -4.23 -1.15 -4.26 115.64 105.96 1ug9 s THR 142 Ca 0.00 0.11 0.26 0.00 -1.18 0.00 0.00 61.69 60.88 1ug9 s THR 142 Cb 0.00 -0.10 0.34 0.00 1.34 0.00 0.00 72.50 74.08 1ug9 s THR 142 CO 0.00 0.04 1.75 0.77 -0.54 0.00 0.00 174.62 176.64 1ug9 h SER 143 N 6.72 0.00 -6.04 3.99 4.64 -0.99 -3.23 113.55 118.64 1ug9 h SER 143 Ca -0.35 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.55 1ug9 h SER 143 Cb 1.16 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1ug9 h SER 143 CO 0.47 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 177.02 1ug9 n GLY 144 N 0.75 1.69 2.40 -0.77 0.00 -1.26 -3.79 105.19 104.22 1ug9 n GLY 144 Ca 0.03 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1ug9 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 145 N -1.22 1.32 3.82 -0.02 0.00 -1.22 -4.80 105.19 103.08 1ug9 n GLY 145 Ca 0.14 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1ug9 n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ug9 s ASP 146 N -2.80 5.85 -0.08 1.61 1.11 -0.85 -4.49 116.67 117.02 1ug9 s ASP 146 Ca 0.00 0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.89 1ug9 s ASP 146 Cb 0.00 -1.70 0.02 0.00 1.07 0.00 0.00 42.92 42.31 1ug9 s ASP 146 CO 0.00 0.23 -0.07 -0.89 1.18 0.00 0.00 175.17 175.62 1ug9 s THR 147 N -1.31 0.88 -0.04 -1.27 2.01 -0.41 -1.71 115.64 113.79 1ug9 s THR 147 Ca 0.27 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1ug9 s THR 147 Cb -0.12 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1ug9 s THR 147 CO 0.19 0.33 0.02 -0.83 -0.69 0.00 0.00 174.62 173.64 1ug9 s GLY 148 N 1.37 1.91 0.10 4.40 0.00 -0.54 -0.74 107.32 113.82 1ug9 s GLY 148 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1ug9 s GLY 148 CO -0.04 -0.68 0.13 -1.14 0.00 0.00 0.00 173.10 171.37 1ug9 n SER 149 N 1.67 -0.34 -4.10 1.64 3.41 0.34 -2.29 113.62 113.95 1ug9 n SER 149 Ca -0.16 -1.58 -0.12 0.00 -0.26 0.00 0.00 58.87 56.75 1ug9 n SER 149 Cb 0.53 0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 65.04 1ug9 n SER 149 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ug9 s VAL 150 N -2.50 0.56 -0.30 -3.33 1.01 -1.22 -0.64 120.40 113.98 1ug9 s VAL 150 Ca 0.09 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 1ug9 s VAL 150 Cb -0.00 -1.02 0.19 0.00 0.00 0.00 0.00 36.38 35.55 1ug9 s VAL 150 CO 0.07 -0.59 1.16 -0.89 0.00 0.00 0.00 175.10 174.84 1ug9 s THR 151 N -2.31 0.00 -1.47 3.92 2.01 -1.08 -4.92 115.64 111.78 1ug9 s THR 151 Ca -0.02 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1ug9 s THR 151 Cb -0.04 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.50 1ug9 s THR 151 CO -0.02 0.00 0.43 -0.67 -0.69 0.00 0.00 174.62 173.67 1ug9 n ASP 152 N 3.31 -0.69 0.00 3.53 2.03 -1.26 -0.92 116.55 122.55 1ug9 n ASP 152 Ca -0.18 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1ug9 n ASP 152 Cb 0.57 -2.84 0.00 0.00 -0.72 0.00 0.00 41.12 38.13 1ug9 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ug9 n GLY 153 N -1.95 0.33 3.76 0.27 0.00 -1.26 -5.00 105.19 101.34 1ug9 n GLY 153 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1ug9 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 154 N -1.84 3.44 -0.39 4.61 0.00 -0.10 -4.52 121.76 122.98 1ug9 s ALA 154 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 1ug9 s ALA 154 Cb 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.01 1ug9 s ALA 154 CO 0.00 0.29 0.23 -0.51 0.00 0.00 0.00 175.76 175.77 1ug9 s LEU 155 N -3.68 4.83 0.31 0.00 1.43 -0.87 -2.64 118.68 118.06 1ug9 s LEU 155 Ca 0.32 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1ug9 s LEU 155 Cb -0.08 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1ug9 s LEU 155 CO 0.23 -0.42 0.47 -0.76 0.23 0.00 0.00 176.35 176.10 1ug9 s LEU 156 N 1.56 4.12 -0.24 1.79 1.43 0.18 -0.89 118.68 126.64 1ug9 s LEU 156 Ca 0.02 0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.08 1ug9 s LEU 156 Cb -0.20 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.07 1ug9 s LEU 156 CO 0.07 -0.24 0.90 0.00 0.23 0.00 0.00 176.35 177.32 1ug9 s ALA 157 N -2.17 -1.89 0.23 4.21 0.00 -0.94 -0.51 121.76 120.69 1ug9 s ALA 157 Ca 0.38 1.83 -0.10 0.00 0.00 0.00 0.00 51.96 54.07 1ug9 s ALA 157 Cb -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1ug9 s ALA 157 CO 0.33 -0.29 0.39 -1.54 0.00 0.00 0.00 175.76 174.65 1ug9 s SER 158 N -0.05 -0.03 -0.47 0.00 1.04 0.08 0.07 113.70 114.34 1ug9 s SER 158 Ca 0.00 -1.03 0.07 0.00 0.48 0.00 0.00 55.95 55.47 1ug9 s SER 158 Cb -0.04 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.80 1ug9 s SER 158 CO -0.02 -1.06 0.69 -0.62 0.98 0.00 0.00 173.24 173.21 1ug9 s ASP 159 N -3.05 -1.48 -0.30 7.02 -1.08 0.36 -1.29 116.67 116.86 1ug9 s ASP 159 Ca 0.26 -1.28 0.07 0.00 -0.52 0.00 0.00 52.55 51.08 1ug9 s ASP 159 Cb 0.01 1.91 0.63 0.00 -1.46 0.00 0.00 42.92 44.01 1ug9 s ASP 159 CO 0.09 -0.10 1.68 0.18 0.52 0.00 0.00 175.17 177.54 1ug9 n LEU 160 N 3.62 5.65 -0.35 -1.34 7.99 -1.26 -2.83 117.00 128.48 1ug9 n LEU 160 Ca 0.15 -2.95 -0.02 0.00 -0.01 0.00 0.00 56.01 53.18 1ug9 n LEU 160 Cb 0.57 -0.73 0.13 0.00 -0.11 0.00 0.00 43.42 43.28 1ug9 n LEU 160 CO -0.01 0.78 1.29 0.00 -1.51 0.00 0.00 177.39 177.95 1ug9 h ALA 161 N 2.33 1.31 -2.32 -1.18 0.00 -1.92 -3.38 119.26 114.10 1ug9 h ALA 161 Ca 0.29 -0.07 -0.67 0.00 0.00 0.00 0.00 54.91 54.47 1ug9 h ALA 161 Cb 2.21 -0.39 -0.17 0.00 0.00 0.00 0.00 17.79 19.44 1ug9 h ALA 161 CO 0.70 0.64 -0.05 0.34 0.00 0.00 0.00 179.25 180.88 1ug9 s ASP 162 N -6.15 6.27 0.51 0.00 2.15 -1.26 -4.93 116.67 113.25 1ug9 s ASP 162 Ca -0.13 -0.39 0.16 0.00 0.43 0.00 0.00 52.55 52.62 1ug9 s ASP 162 Cb 0.18 -2.27 1.23 0.00 -0.30 0.00 0.00 42.92 41.76 1ug9 s ASP 162 CO 0.81 -0.63 2.12 0.00 -0.17 0.00 0.00 175.17 177.30 1ug9 h ALA 163 N 8.72 2.02 0.33 3.66 0.00 -1.97 -2.96 119.26 129.06 1ug9 h ALA 163 Ca -0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ug9 h ALA 163 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ug9 h ALA 163 CO 0.83 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.87 1ug9 h ALA 164 N 1.93 -0.45 -3.03 0.00 0.00 -1.94 -3.39 119.26 112.39 1ug9 h ALA 164 Ca 0.06 -0.18 -0.62 0.00 0.00 0.00 0.00 54.91 54.16 1ug9 h ALA 164 Cb 0.12 0.17 -0.41 0.00 0.00 0.00 0.00 17.79 17.67 1ug9 h ALA 164 CO -0.01 -0.58 -0.65 0.95 0.00 0.00 0.00 179.25 178.96 1ug9 s THR 165 N -4.69 2.40 0.30 0.00 -4.23 -1.13 -5.09 115.64 103.19 1ug9 s THR 165 Ca -0.14 -3.79 -0.28 0.00 -1.18 0.00 0.00 61.69 56.30 1ug9 s THR 165 Cb 0.02 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 1ug9 s THR 165 CO 0.54 -1.00 1.02 -2.16 -0.54 0.00 0.00 174.62 172.48 1ug9 s PRO 166 N -0.95 4.60 -0.02 3.99 0.04 -1.15 -4.69 135.00 136.82 1ug9 s PRO 166 Ca 0.24 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1ug9 s PRO 166 Cb -0.08 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1ug9 s PRO 166 CO -0.13 0.24 -0.09 0.08 0.04 0.00 0.00 177.00 177.14 1ug9 s VAL 167 N -1.33 0.80 -0.03 -0.36 1.01 -1.13 -4.53 120.40 114.83 1ug9 s VAL 167 Ca 0.47 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1ug9 s VAL 167 Cb -0.26 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1ug9 s VAL 167 CO 0.33 0.25 0.32 0.00 0.00 0.00 0.00 175.10 175.99 1ug9 s ALA 168 N 0.10 -0.80 0.26 5.51 0.00 -0.92 -0.49 121.76 125.42 1ug9 s ALA 168 Ca -0.02 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1ug9 s ALA 168 Cb -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1ug9 s ALA 168 CO 0.00 -0.25 0.05 0.95 0.00 0.00 0.00 175.76 176.52 1ug9 s THR 169 N -1.13 0.82 -0.13 0.00 -4.23 0.11 -1.92 115.64 109.16 1ug9 s THR 169 Ca -0.12 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.33 1ug9 s THR 169 Cb -0.05 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1ug9 s THR 169 CO 0.04 -0.13 0.28 0.00 -0.54 0.00 0.00 174.62 174.27 1ug9 s ALA 170 N -3.57 -0.64 -0.23 3.99 0.00 -0.57 -2.20 121.76 118.54 1ug9 s ALA 170 Ca 0.34 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 1ug9 s ALA 170 Cb 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1ug9 s ALA 170 CO 0.12 -0.43 0.04 -1.17 0.00 0.00 0.00 175.76 174.31 1ug9 s LEU 171 N 1.87 3.34 -0.02 0.00 0.20 -0.07 -1.10 118.68 122.91 1ug9 s LEU 171 Ca -0.04 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 54.60 1ug9 s LEU 171 Cb -0.11 -1.88 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 1ug9 s LEU 171 CO -0.09 0.00 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.14 1ug9 s VAL 172 N 1.39 1.11 -0.15 1.68 1.01 -0.46 -2.05 120.40 122.94 1ug9 s VAL 172 Ca 0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1ug9 s VAL 172 Cb -0.15 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1ug9 s VAL 172 CO 0.02 0.32 0.18 -0.55 0.00 0.00 0.00 175.10 175.08 1ug9 s SER 173 N -0.12 6.36 0.62 3.32 0.15 -1.26 -1.11 113.70 121.65 1ug9 s SER 173 Ca 0.01 0.42 0.37 0.00 0.70 0.00 0.00 55.95 57.45 1ug9 s SER 173 Cb -0.08 -2.11 2.07 0.00 -1.71 0.00 0.00 66.02 64.20 1ug9 s SER 173 CO 0.00 0.26 2.30 0.77 1.20 0.00 0.00 173.24 177.77 1ug9 h SER 174 N 5.93 0.00 -0.06 5.45 4.64 -1.43 0.07 113.55 128.15 1ug9 h SER 174 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ug9 h SER 174 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ug9 h SER 174 CO 0.69 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.98 1ug9 n VAL 175 N -3.47 1.85 -1.11 0.95 0.24 -1.26 -4.98 118.33 110.55 1ug9 n VAL 175 Ca -0.03 -2.03 0.12 0.00 -2.04 0.00 0.00 64.34 60.37 1ug9 n VAL 175 Cb 0.09 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 1ug9 n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ug9 n GLY 176 N -1.11 -2.00 3.66 7.63 0.00 0.01 -4.74 105.19 108.64 1ug9 n GLY 176 Ca 0.15 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1ug9 n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ug9 s PHE 177 N -1.72 2.88 -0.11 1.61 0.40 -1.26 -4.34 117.98 115.44 1ug9 s PHE 177 Ca 0.00 -0.11 0.16 0.00 -0.60 0.00 0.00 56.93 56.38 1ug9 s PHE 177 Cb 0.00 -1.43 -0.22 0.00 0.51 0.00 0.00 43.02 41.88 1ug9 s PHE 177 CO 0.00 0.50 0.52 0.41 0.70 0.00 0.00 175.22 177.34 1ug9 n GLY 178 N 0.14 -1.06 3.54 4.36 0.00 0.22 -4.88 105.19 107.52 1ug9 n GLY 178 Ca -0.10 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1ug9 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 179 N -2.73 -1.58 0.20 4.61 0.00 -1.25 -4.95 121.76 116.06 1ug9 s ALA 179 Ca -0.06 1.80 0.07 0.00 0.00 0.00 0.00 51.96 53.77 1ug9 s ALA 179 Cb 0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1ug9 s ALA 179 CO 0.83 -0.30 -0.12 0.14 0.00 0.00 0.00 175.76 176.31 1ug9 s VAL 180 N 0.37 1.56 -0.28 0.00 -7.23 -1.26 0.04 120.40 113.60 1ug9 s VAL 180 Ca -0.00 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 57.78 1ug9 s VAL 180 Cb -0.04 -2.07 0.10 0.00 0.56 0.00 0.00 36.38 34.92 1ug9 s VAL 180 CO 0.00 -0.57 0.87 0.00 -0.31 0.00 0.00 175.10 175.10 1ug9 s ALA 181 N -3.08 -1.92 0.07 1.32 0.00 -0.70 -4.43 121.76 113.02 1ug9 s ALA 181 Ca 0.23 2.02 0.06 0.00 0.00 0.00 0.00 51.96 54.27 1ug9 s ALA 181 Cb 0.01 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1ug9 s ALA 181 CO 0.06 -0.30 -0.09 -0.80 0.00 0.00 0.00 175.76 174.63 1ug9 s ASN 182 N 0.53 4.43 0.29 0.00 -0.87 0.23 -1.51 114.94 118.04 1ug9 s ASN 182 Ca -0.01 -0.31 -0.19 0.00 -1.57 0.00 0.00 52.86 50.78 1ug9 s ASN 182 Cb -0.05 -0.90 0.06 0.00 -0.02 0.00 0.00 41.25 40.34 1ug9 s ASN 182 CO -0.06 0.22 0.88 -0.83 -2.57 0.00 0.00 177.10 174.74 1ug9 s GLY 183 N -1.91 0.18 -0.20 0.66 0.00 -0.49 -4.47 107.32 101.08 1ug9 s GLY 183 Ca 0.20 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.31 1ug9 s GLY 183 CO 0.11 0.60 0.23 -0.19 0.00 0.00 0.00 173.10 173.85 1ug9 s TYR 184 N -2.55 3.39 0.11 1.90 2.02 -1.26 -1.30 117.35 119.66 1ug9 s TYR 184 Ca 0.17 0.42 -0.33 0.00 -0.37 0.00 0.00 57.07 56.96 1ug9 s TYR 184 Cb -0.04 -2.31 -0.12 0.00 -0.40 0.00 0.00 41.96 39.09 1ug9 s TYR 184 CO 0.08 0.15 1.73 0.28 -1.57 0.00 0.00 175.55 176.22 1ug9 n VAL 185 N 3.92 0.21 -0.00 0.71 0.31 -0.52 -0.87 118.33 122.08 1ug9 n VAL 185 Ca -0.13 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ug9 n VAL 185 Cb 0.52 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1ug9 n VAL 185 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ug9 n GLY 186 N 3.90 0.14 1.77 2.92 0.00 -1.26 -1.06 105.19 111.59 1ug9 n GLY 186 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ug9 n GLY 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ug9 n THR 187 N -2.00 0.00 -0.85 2.61 -1.04 -0.76 -4.96 114.28 107.29 1ug9 n THR 187 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1ug9 n THR 187 Cb 0.00 -0.56 0.05 0.00 -1.82 0.00 0.00 70.33 67.99 1ug9 n THR 187 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ug9 n SER 188 N -2.48 1.44 -4.76 8.00 3.41 -0.05 -4.73 113.62 114.44 1ug9 n SER 188 Ca 0.00 -2.18 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 1ug9 n SER 188 Cb 0.05 -0.17 0.11 0.00 -0.26 0.00 0.00 64.21 63.94 1ug9 n SER 188 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1ug9 s ASP 189 N -1.43 4.08 0.15 4.04 1.47 -0.97 -4.27 116.67 119.73 1ug9 s ASP 189 Ca 0.10 1.49 -0.22 0.00 1.18 0.00 0.00 52.55 55.10 1ug9 s ASP 189 Cb 0.09 -2.20 0.03 0.00 -0.34 0.00 0.00 42.92 40.50 1ug9 s ASP 189 CO 0.01 -2.26 1.63 1.23 0.68 0.00 0.00 175.17 176.46 1ug9 h GLY 190 N -1.29 -0.16 1.00 2.12 0.00 -1.89 -2.04 103.07 100.82 1ug9 h GLY 190 Ca -0.47 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1ug9 h GLY 190 CO 0.56 -0.20 0.36 -0.25 0.00 0.00 0.00 176.54 177.00 1ug9 h TRP 191 N -0.24 0.92 -0.83 5.60 -0.00 -1.97 0.27 115.95 119.70 1ug9 h TRP 191 Ca 0.14 -0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1ug9 h TRP 191 Cb 0.46 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.28 1ug9 h TRP 191 CO -0.40 0.67 0.55 1.15 -0.00 0.00 0.00 178.44 180.41 1ug9 h THR 192 N 0.91 1.19 0.22 2.65 2.02 -1.88 0.28 112.91 118.31 1ug9 h THR 192 Ca 0.23 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ug9 h THR 192 Cb 0.06 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1ug9 h THR 192 CO -0.04 0.20 -0.11 -0.78 0.37 0.00 0.00 175.52 175.17 1ug9 h ASP 193 N 1.10 -0.25 -0.66 4.18 -0.00 -0.68 -3.17 116.42 116.94 1ug9 h ASP 193 Ca 0.31 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.03 57.04 1ug9 h ASP 193 Cb -0.09 0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.28 1ug9 h ASP 193 CO -0.07 0.25 0.28 -0.07 -0.00 0.00 0.00 179.24 179.62 1ug9 h LEU 194 N -0.88 0.92 -0.45 2.28 3.38 -0.37 -2.86 115.31 117.32 1ug9 h LEU 194 Ca -0.03 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1ug9 h LEU 194 Cb 0.51 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1ug9 h LEU 194 CO 0.05 0.82 0.15 0.00 0.09 0.00 0.00 178.44 179.55 1ug9 h ALA 195 N 1.32 0.54 0.05 1.53 0.00 -0.54 0.84 119.26 122.99 1ug9 h ALA 195 Ca 0.23 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1ug9 h ALA 195 Cb 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1ug9 h ALA 195 CO -0.02 -0.24 -0.47 0.00 0.00 0.00 0.00 179.25 178.53 1ug9 h ALA 196 N 1.30 -0.81 0.00 0.00 0.00 -1.47 -3.36 119.26 114.93 1ug9 h ALA 196 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ug9 h ALA 196 Cb 0.22 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ug9 h ALA 196 CO -0.23 -1.03 0.00 -0.40 0.00 0.00 0.00 179.25 177.59 1ug9 n ASP 197 N -5.47 1.09 -1.06 0.00 3.85 -1.21 -4.97 116.55 108.78 1ug9 n ASP 197 Ca -0.07 -1.44 -0.11 0.00 -0.71 0.00 0.00 54.79 52.46 1ug9 n ASP 197 Cb 0.39 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 1ug9 n ASP 197 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ug9 n GLY 198 N -0.22 0.60 2.85 6.12 0.00 0.29 -4.06 105.19 110.77 1ug9 n GLY 198 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1ug9 n GLY 198 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ug9 s ARG 199 N -3.73 0.05 -0.78 1.61 3.52 -1.24 -4.08 118.95 114.30 1ug9 s ARG 199 Ca 0.00 0.03 -0.23 0.00 -0.13 0.00 0.00 55.73 55.40 1ug9 s ARG 199 Cb 0.00 -0.13 0.07 0.00 -1.56 0.00 0.00 34.95 33.33 1ug9 s ARG 199 CO 0.00 -0.04 1.15 -1.17 -0.81 0.00 0.00 175.30 174.43 1ug9 s LEU 200 N 0.31 4.01 0.02 -0.88 2.96 -1.26 -3.88 118.68 119.95 1ug9 s LEU 200 Ca -0.03 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.83 1ug9 s LEU 200 Cb -0.04 -2.48 -0.25 0.00 0.50 0.00 0.00 46.19 43.92 1ug9 s LEU 200 CO -0.01 -1.51 0.89 0.44 -1.32 0.00 0.00 176.35 174.85 1ug9 h ASP 201 N 9.62 0.24 -3.83 3.68 5.19 -1.97 -3.46 116.42 125.88 1ug9 h ASP 201 Ca -0.14 -0.34 -0.51 0.00 -0.62 0.00 0.00 57.03 55.42 1ug9 h ASP 201 Cb 1.05 -0.08 0.03 0.00 0.18 0.00 0.00 39.33 40.51 1ug9 h ASP 201 CO 1.24 1.28 0.53 0.21 -3.12 0.00 0.00 179.24 179.37 1ug9 s ASN 202 N -6.76 7.09 -0.01 6.45 2.47 -1.26 -4.92 114.94 118.01 1ug9 s ASN 202 Ca -0.06 2.40 0.01 0.00 0.42 0.00 0.00 52.86 55.63 1ug9 s ASN 202 Cb 0.08 -2.63 0.02 0.00 -1.45 0.00 0.00 41.25 37.26 1ug9 s ASN 202 CO 0.84 -0.28 0.83 0.00 -3.72 0.00 0.00 177.10 174.77 1ug9 n ALA 203 N 1.03 1.66 -1.73 1.71 0.00 -1.26 -4.61 120.51 117.31 1ug9 n ALA 203 Ca -0.01 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 1ug9 n ALA 203 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 1ug9 n ALA 203 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ug9 n SER 204 N -0.12 3.94 -1.58 0.00 2.88 -1.26 -4.76 113.62 112.71 1ug9 n SER 204 Ca 0.01 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 1ug9 n SER 204 Cb 0.60 -1.58 0.32 0.00 -0.75 0.00 0.00 64.21 62.80 1ug9 n SER 204 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ug9 n ALA 205 N 3.07 3.57 -3.53 -1.46 0.00 -1.26 -0.60 120.51 120.30 1ug9 n ALA 205 Ca 0.12 -1.49 -0.12 0.00 0.00 0.00 0.00 53.44 51.96 1ug9 n ALA 205 Cb 0.36 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1ug9 n ALA 205 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ug9 s THR 206 N -2.36 0.00 -0.20 0.00 -1.32 -1.26 -3.43 115.64 107.08 1ug9 s THR 206 Ca 0.42 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.61 1ug9 s THR 206 Cb 0.32 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.45 1ug9 s THR 206 CO 0.13 0.00 1.08 0.00 -2.21 0.00 0.00 174.62 173.61 1ug9 s ALA 207 N -1.85 -1.98 0.00 11.08 0.00 -0.97 -4.45 121.76 123.59 1ug9 s ALA 207 Ca -0.02 1.67 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1ug9 s ALA 207 Cb -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1ug9 s ALA 207 CO -0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1ug9 n GLY 208 N 0.81 -3.20 3.77 0.00 0.00 -1.26 -1.47 105.19 103.84 1ug9 n GLY 208 Ca -0.08 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1ug9 n GLY 208 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug9 s PRO 209 N -0.65 4.15 0.00 1.61 0.04 -1.25 -4.95 135.00 133.94 1ug9 s PRO 209 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1ug9 s PRO 209 Cb 0.00 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1ug9 s PRO 209 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1ug9 n GLY 210 N 0.72 -0.49 3.44 0.56 0.00 -0.69 -4.73 105.19 104.00 1ug9 n GLY 210 Ca 0.02 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1ug9 n GLY 210 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ug9 s ASN 211 N -4.00 6.30 0.49 1.61 2.47 0.34 -2.01 114.94 120.15 1ug9 s ASN 211 Ca 0.00 -1.36 0.05 0.00 0.42 0.00 0.00 52.86 51.98 1ug9 s ASN 211 Cb 0.00 -2.40 -0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1ug9 s ASN 211 CO 0.00 -1.29 0.25 0.27 -3.72 0.00 0.00 177.10 172.61 1ug9 s ILE 212 N 3.48 1.80 0.17 -5.21 -5.25 -1.26 -1.44 121.20 113.48 1ug9 s ILE 212 Ca 0.24 -1.65 -0.15 0.00 -0.99 0.00 0.00 60.65 58.10 1ug9 s ILE 212 Cb -0.14 -2.45 0.02 0.00 2.95 0.00 0.00 42.46 42.83 1ug9 s ILE 212 CO 0.04 0.00 0.42 -0.94 -1.79 0.00 0.00 174.94 172.67 1ug9 s SER 213 N -4.08 -0.16 0.12 4.36 1.04 -0.42 -4.18 113.70 110.39 1ug9 s SER 213 Ca 0.31 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 56.25 1ug9 s SER 213 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1ug9 s SER 213 CO 0.18 -0.95 -0.13 -1.10 0.98 0.00 0.00 173.24 172.21 1ug9 s GLN 214 N -3.88 1.00 -0.08 4.02 -0.21 0.19 -1.40 119.66 119.31 1ug9 s GLN 214 Ca 0.09 -1.23 -0.07 0.00 0.02 0.00 0.00 55.36 54.18 1ug9 s GLN 214 Cb 0.01 -0.85 0.02 0.00 1.00 0.00 0.00 33.01 33.19 1ug9 s GLN 214 CO -0.05 0.16 0.20 -0.08 -2.12 0.00 0.00 175.29 173.40 1ug9 s THR 215 N -2.18 -0.01 -0.02 -0.19 -1.32 -0.57 -0.75 115.64 110.60 1ug9 s THR 215 Ca 0.08 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ug9 s THR 215 Cb -0.05 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.68 1ug9 s THR 215 CO 0.03 0.01 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.60 1ug9 s GLY 216 N 0.25 0.25 0.03 6.08 0.00 -0.84 -1.72 107.32 111.37 1ug9 s GLY 216 Ca -0.01 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 1ug9 s GLY 216 CO -0.01 0.40 0.94 1.62 0.00 0.00 0.00 173.10 176.06 1ug9 s GLN 217 N 0.73 4.59 -0.29 2.90 0.74 0.11 -0.07 119.66 128.38 1ug9 s GLN 217 Ca -0.08 1.37 -0.15 0.00 0.05 0.00 0.00 55.36 56.55 1ug9 s GLN 217 Cb -0.11 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1ug9 s GLN 217 CO -0.01 0.05 0.39 0.42 -0.55 0.00 0.00 175.29 175.59 1ug9 s ILE 218 N 0.64 5.15 0.20 -2.34 1.09 0.64 0.69 121.20 127.28 1ug9 s ILE 218 Ca 0.49 0.49 -0.31 0.00 -1.10 0.00 0.00 60.65 60.21 1ug9 s ILE 218 Cb -0.21 -3.75 -0.11 0.00 -1.06 0.00 0.00 42.46 37.33 1ug9 s ILE 218 CO 0.28 0.08 1.58 -2.16 -0.10 0.00 0.00 174.94 174.62 1ug9 s PRO 219 N 2.10 4.19 0.27 2.79 0.04 -1.26 -4.41 135.00 138.72 1ug9 s PRO 219 Ca 0.15 2.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 1ug9 s PRO 219 Cb -0.16 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1ug9 s PRO 219 CO 0.10 -0.61 0.48 -0.51 0.04 0.00 0.00 177.00 176.50 1ug9 s LEU 220 N 0.67 4.13 0.22 -3.56 1.43 -1.26 -5.04 118.68 115.26 1ug9 s LEU 220 Ca 0.68 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1ug9 s LEU 220 Cb -0.45 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1ug9 s LEU 220 CO 0.36 -0.16 0.49 0.00 0.23 0.00 0.00 176.35 177.26 1ug9 s ALA 221 N -2.07 3.67 0.28 4.21 0.00 -1.26 -5.04 121.76 121.55 1ug9 s ALA 221 Ca 0.40 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1ug9 s ALA 221 Cb -0.10 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.64 1ug9 s ALA 221 CO 0.31 0.47 1.52 0.00 0.00 0.00 0.00 175.76 178.06 1ug9 s ALA 222 N -1.86 3.68 0.00 0.00 0.00 -1.26 -4.73 121.76 117.59 1ug9 s ALA 222 Ca 0.44 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1ug9 s ALA 222 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ug9 s ALA 222 CO 0.26 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1ug9 n GLY 223 N 2.02 -0.77 0.05 0.00 0.00 -1.26 -4.81 105.19 100.42 1ug9 n GLY 223 Ca 0.07 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 1ug9 n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ug9 h GLY 224 N 0.00 -0.00 -2.13 -0.02 0.00 -1.85 -3.47 103.07 95.59 1ug9 h GLY 224 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.80 1ug9 h GLY 224 CO 0.00 -0.00 -0.68 -1.59 0.00 0.00 0.00 176.54 174.27 1ug9 s LYS 225 N -5.31 1.64 -0.04 4.80 -2.85 -1.26 -0.93 119.74 115.80 1ug9 s LYS 225 Ca -0.14 -1.84 0.01 0.00 -1.00 0.00 0.00 55.97 53.00 1ug9 s LYS 225 Cb 0.04 -1.33 0.02 0.00 -2.06 0.00 0.00 37.83 34.49 1ug9 s LYS 225 CO 0.67 0.07 -0.06 -0.08 0.10 0.00 0.00 175.35 176.05 1ug9 s THR 226 N -2.88 0.58 -0.12 3.79 -1.32 -0.00 -4.60 115.64 111.10 1ug9 s THR 226 Ca 0.31 -0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ug9 s THR 226 Cb 0.03 -0.58 -0.03 0.00 -1.51 0.00 0.00 72.50 70.42 1ug9 s THR 226 CO 0.13 0.22 -0.07 -1.61 -2.21 0.00 0.00 174.62 171.09 1ug9 s GLU 227 N 0.67 3.26 0.33 7.08 2.02 -1.26 -1.15 118.70 129.64 1ug9 s GLU 227 Ca -0.09 -0.56 -0.18 0.00 0.02 0.00 0.00 54.97 54.16 1ug9 s GLU 227 Cb -0.12 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.43 1ug9 s GLU 227 CO 0.00 0.40 0.82 -0.59 0.02 0.00 0.00 175.26 175.92 1ug9 s PHE 228 N -0.10 0.06 0.04 1.61 -0.71 -0.70 -4.99 117.98 113.19 1ug9 s PHE 228 Ca 0.01 -0.65 -0.05 0.00 -1.04 0.00 0.00 56.93 55.20 1ug9 s PHE 228 Cb -0.13 0.79 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1ug9 s PHE 228 CO 0.03 -1.40 0.08 -1.54 -1.34 0.00 0.00 175.22 171.05 1ug9 s SER 229 N -3.09 0.21 0.10 1.98 1.04 -1.26 -0.65 113.70 112.02 1ug9 s SER 229 Ca 0.16 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 56.08 1ug9 s SER 229 Cb -0.05 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1ug9 s SER 229 CO 0.09 -0.52 -0.21 -0.76 0.98 0.00 0.00 173.24 172.82 1ug9 s LEU 230 N -2.24 2.54 -0.16 2.42 1.43 -0.49 -0.94 118.68 121.26 1ug9 s LEU 230 Ca -0.03 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1ug9 s LEU 230 Cb -0.00 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1ug9 s LEU 230 CO -0.05 0.20 -0.06 0.00 0.23 0.00 0.00 176.35 176.67 1ug9 s ALA 231 N -1.05 1.48 -0.46 4.21 0.00 -0.27 -1.22 121.76 124.46 1ug9 s ALA 231 Ca 0.16 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1ug9 s ALA 231 Cb -0.10 -1.09 0.10 0.00 0.00 0.00 0.00 23.12 22.03 1ug9 s ALA 231 CO 0.07 -0.70 0.33 -1.17 0.00 0.00 0.00 175.76 174.29 1ug9 s LEU 232 N 1.63 5.52 0.15 0.00 2.96 -0.09 -1.35 118.68 127.50 1ug9 s LEU 232 Ca 0.02 -1.70 -0.02 0.00 -0.22 0.00 0.00 54.13 52.20 1ug9 s LEU 232 Cb -0.15 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1ug9 s LEU 232 CO -0.08 -0.64 0.35 -0.83 -1.32 0.00 0.00 176.35 173.83 1ug9 s GLY 233 N 2.53 2.05 0.07 7.98 0.00 -0.26 -0.97 107.32 118.72 1ug9 s GLY 233 Ca 0.04 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.12 1ug9 s GLY 233 CO 0.01 -0.67 -0.23 -1.36 0.00 0.00 0.00 173.10 170.86 1ug9 s PHE 234 N -1.72 1.97 0.33 1.90 0.08 -0.13 -1.51 117.98 118.91 1ug9 s PHE 234 Ca 0.39 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 1ug9 s PHE 234 Cb -0.12 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1ug9 s PHE 234 CO 0.27 0.16 0.77 0.20 -0.10 0.00 0.00 175.22 176.52 1ug9 s GLY 235 N -1.50 0.14 0.49 4.36 0.00 -0.81 -4.47 107.32 105.52 1ug9 s GLY 235 Ca 0.09 -0.52 0.28 0.00 0.00 0.00 0.00 44.72 44.58 1ug9 s GLY 235 CO 0.03 -0.13 1.83 0.00 0.00 0.00 0.00 173.10 174.83 1ug9 h ALA 236 N 2.00 0.99 -2.73 3.20 0.00 -1.86 -2.45 119.26 118.40 1ug9 h ALA 236 Ca -0.26 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ug9 h ALA 236 Cb 1.25 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1ug9 h ALA 236 CO 0.32 0.08 -0.36 0.16 0.00 0.00 0.00 179.25 179.45 1ug9 s ASP 237 N -5.96 0.12 0.29 0.00 3.84 -1.26 -4.35 116.67 109.36 1ug9 s ASP 237 Ca 0.03 -1.19 -0.02 0.00 -0.00 0.00 0.00 52.55 51.36 1ug9 s ASP 237 Cb 0.08 0.50 0.44 0.00 -1.38 0.00 0.00 42.92 42.56 1ug9 s ASP 237 CO 0.60 -1.01 1.96 0.74 -0.00 0.00 0.00 175.17 177.46 1ug9 h THR 238 N 2.41 1.19 -0.12 2.11 2.02 -1.89 -1.63 112.91 117.00 1ug9 h THR 238 Ca -0.31 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1ug9 h THR 238 Cb 1.25 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1ug9 h THR 238 CO 0.44 0.21 0.02 0.00 0.37 0.00 0.00 175.52 176.55 1ug9 h ALA 239 N 1.48 0.16 -0.12 6.16 0.00 -1.97 -1.93 119.26 123.05 1ug9 h ALA 239 Ca 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ug9 h ALA 239 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ug9 h ALA 239 CO -0.08 -0.18 0.06 1.49 0.00 0.00 0.00 179.25 180.54 1ug9 h GLU 240 N -0.02 0.16 -0.64 0.00 4.81 -1.92 -0.70 114.58 116.27 1ug9 h GLU 240 Ca 0.04 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1ug9 h GLU 240 Cb 0.29 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1ug9 h GLU 240 CO 0.00 0.18 0.32 0.00 -0.73 0.00 0.00 179.01 178.78 1ug9 h ALA 241 N 0.97 0.86 0.16 2.92 0.00 -1.29 0.16 119.26 123.04 1ug9 h ALA 241 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ug9 h ALA 241 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ug9 h ALA 241 CO -0.01 -0.05 -0.08 1.25 0.00 0.00 0.00 179.25 180.37 1ug9 h LEU 242 N 0.58 -0.18 -0.59 0.00 6.46 -1.16 -1.43 115.31 118.99 1ug9 h LEU 242 Ca 0.30 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1ug9 h LEU 242 Cb 0.27 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 1ug9 h LEU 242 CO -0.23 0.04 0.28 0.00 -0.62 0.00 0.00 178.44 177.91 1ug9 h ALA 243 N 0.39 0.76 -0.39 1.25 0.00 -0.67 -1.01 119.26 119.59 1ug9 h ALA 243 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ug9 h ALA 243 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ug9 h ALA 243 CO 0.04 -0.09 0.16 1.15 0.00 0.00 0.00 179.25 180.50 1ug9 h THR 244 N 0.51 1.19 -0.53 0.00 2.02 -0.63 -1.32 112.91 114.16 1ug9 h THR 244 Ca 0.27 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 1ug9 h THR 244 Cb 0.24 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ug9 h THR 244 CO -0.22 0.21 0.12 0.00 0.37 0.00 0.00 175.52 176.01 1ug9 h ALA 245 N 1.00 1.22 -0.48 6.16 0.00 -0.85 -2.57 119.26 123.74 1ug9 h ALA 245 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ug9 h ALA 245 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ug9 h ALA 245 CO -0.01 0.54 -0.05 0.87 0.00 0.00 0.00 179.25 180.60 1ug9 h LYS 246 N 0.78 0.88 -0.64 0.00 1.57 -0.95 -2.44 116.57 115.77 1ug9 h LYS 246 Ca 0.17 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ug9 h LYS 246 Cb 0.30 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1ug9 h LYS 246 CO -0.00 0.94 0.37 0.00 -0.57 0.00 0.00 179.45 180.19 1ug9 h ALA 247 N 0.91 0.85 -0.26 3.86 0.00 -0.93 0.14 119.26 123.84 1ug9 h ALA 247 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ug9 h ALA 247 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ug9 h ALA 247 CO 0.03 0.06 0.12 0.77 0.00 0.00 0.00 179.25 180.23 1ug9 h SER 248 N 0.69 0.17 0.34 0.00 0.02 -1.27 -0.88 113.55 112.63 1ug9 h SER 248 Ca 0.28 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ug9 h SER 248 Cb 0.14 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1ug9 h SER 248 CO -0.16 0.13 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.39 1ug9 h LEU 249 N 0.26 0.00 -1.14 5.07 3.38 -0.93 0.28 115.31 122.23 1ug9 h LEU 249 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1ug9 h LEU 249 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ug9 h LEU 249 CO -0.08 0.21 -0.26 1.23 0.09 0.00 0.00 178.44 179.62 1ug9 h GLY 250 N 0.89 0.30 1.35 0.83 0.00 0.62 -2.65 103.07 104.39 1ug9 h GLY 250 Ca -0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 47.33 46.79 1ug9 h GLY 250 CO 0.03 0.21 -1.45 -0.84 0.00 0.00 0.00 176.54 174.49 1ug9 h THR 251 N 0.25 1.28 0.00 4.70 2.02 -0.64 -3.51 112.91 117.01 1ug9 h THR 251 Ca 0.04 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1ug9 h THR 251 Cb 0.60 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1ug9 h THR 251 CO 0.04 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.39 1ug9 n GLY 252 N 1.65 1.53 0.50 2.16 0.00 0.02 -4.55 105.19 106.51 1ug9 n GLY 252 Ca -0.15 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1ug9 n GLY 252 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ug9 h TYR 253 N 0.00 -1.37 -0.60 1.61 3.20 -1.86 -1.57 116.97 116.38 1ug9 h TYR 253 Ca 0.00 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1ug9 h TYR 253 Cb 0.00 0.53 -0.12 0.00 1.54 0.00 0.00 36.73 38.68 1ug9 h TYR 253 CO 0.00 -0.67 -0.21 0.87 -1.64 0.00 0.00 178.16 176.50 1ug9 h LYS 254 N -1.02 -0.06 0.34 1.82 1.79 -1.99 0.58 116.57 118.03 1ug9 h LYS 254 Ca -0.06 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1ug9 h LYS 254 Cb 0.88 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1ug9 h LYS 254 CO -0.05 -0.04 -0.16 -0.22 -1.08 0.00 0.00 179.45 177.90 1ug9 h LYS 255 N -0.06 -0.43 -0.66 3.15 1.63 -1.78 -1.07 116.57 117.34 1ug9 h LYS 255 Ca 0.28 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1ug9 h LYS 255 Cb 0.50 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.18 1ug9 h LYS 255 CO -0.65 -0.27 0.40 0.28 -3.45 0.00 0.00 179.45 175.76 1ug9 h VAL 256 N -0.49 1.04 0.21 2.00 2.07 -0.67 -1.43 116.25 118.98 1ug9 h VAL 256 Ca -0.05 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ug9 h VAL 256 Cb 0.37 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1ug9 h VAL 256 CO 0.08 0.14 -0.35 -1.28 0.02 0.00 0.00 177.57 176.17 1ug9 h SER 257 N 0.76 -1.00 -0.52 0.57 0.87 0.35 0.18 113.55 114.76 1ug9 h SER 257 Ca 0.28 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 61.04 1ug9 h SER 257 Cb 0.09 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 1ug9 h SER 257 CO -0.14 -0.46 0.09 0.11 -0.53 0.00 0.00 176.83 175.91 1ug9 h LYS 258 N -0.64 0.22 -0.98 2.24 1.57 -0.92 0.24 116.57 118.31 1ug9 h LYS 258 Ca 0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ug9 h LYS 258 Cb 0.63 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1ug9 h LYS 258 CO -0.15 0.14 0.65 1.03 -0.57 0.00 0.00 179.45 180.55 1ug9 h SER 259 N 0.22 1.10 -0.00 0.86 0.87 -0.70 0.56 113.55 116.46 1ug9 h SER 259 Ca 0.26 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1ug9 h SER 259 Cb 0.37 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ug9 h SER 259 CO -0.35 0.78 -0.00 0.22 -0.53 0.00 0.00 176.83 176.94 1ug9 h TYR 260 N 1.29 0.00 -0.72 2.24 3.20 0.46 -2.43 116.97 121.01 1ug9 h TYR 260 Ca 0.37 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 1ug9 h TYR 260 Cb -0.09 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1ug9 h TYR 260 CO -0.00 0.41 0.25 1.15 -1.64 0.00 0.00 178.16 178.33 1ug9 h THR 261 N -0.41 1.25 -0.56 1.81 2.02 -0.81 -2.97 112.91 113.26 1ug9 h THR 261 Ca 0.00 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.34 1ug9 h THR 261 Cb 0.41 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1ug9 h THR 261 CO 0.00 0.34 0.37 1.23 0.37 0.00 0.00 175.52 177.82 1ug9 h GLY 262 N 1.10 0.78 0.80 2.16 0.00 0.17 -1.46 103.07 106.62 1ug9 h GLY 262 Ca 0.24 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1ug9 h GLY 262 CO -0.01 0.29 0.26 0.83 0.00 0.00 0.00 176.54 177.90 1ug9 h GLU 263 N 0.75 0.49 -0.50 4.80 5.08 -1.27 -1.22 114.58 122.71 1ug9 h GLU 263 Ca 0.20 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1ug9 h GLU 263 Cb -0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1ug9 h GLU 263 CO -0.05 0.32 0.02 -1.49 -1.00 0.00 0.00 179.01 176.82 1ug9 h TRP 264 N 0.51 0.94 -0.62 4.33 4.06 -1.46 -0.89 115.95 122.83 1ug9 h TRP 264 Ca 0.20 -0.16 0.05 0.00 2.06 0.00 0.00 58.89 61.04 1ug9 h TRP 264 Cb 0.08 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 27.94 1ug9 h TRP 264 CO -0.09 0.88 0.35 -0.22 -3.56 0.00 0.00 178.44 175.80 1ug9 h LYS 265 N 0.73 0.64 -0.27 0.49 3.64 -0.89 -0.77 116.57 120.14 1ug9 h LYS 265 Ca 0.14 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1ug9 h LYS 265 Cb 0.49 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ug9 h LYS 265 CO 0.02 0.42 0.02 -0.22 -2.27 0.00 0.00 179.45 177.42 1ug9 h LYS 266 N 0.65 0.47 0.19 1.90 3.64 -1.05 -1.20 116.57 121.18 1ug9 h LYS 266 Ca 0.27 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1ug9 h LYS 266 Cb 0.14 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1ug9 h LYS 266 CO -0.16 0.61 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.38 1ug9 h TYR 267 N 0.27 -0.90 -0.08 1.91 5.03 -0.56 -0.70 116.97 121.94 1ug9 h TYR 267 Ca 0.08 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.43 1ug9 h TYR 267 Cb 0.39 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1ug9 h TYR 267 CO 0.03 -0.45 -0.10 -0.07 -1.32 0.00 0.00 178.16 176.26 1ug9 h LEU 268 N -0.60 -0.30 -1.74 2.82 4.07 -1.16 -2.16 115.31 116.25 1ug9 h LEU 268 Ca 0.01 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ug9 h LEU 268 Cb 0.60 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1ug9 h LEU 268 CO -0.15 -0.13 0.00 -1.13 -1.08 0.00 0.00 178.44 175.94 1ug9 h ASN 269 N -0.13 0.00 0.71 -0.43 -1.24 -0.97 -1.62 115.58 111.90 1ug9 h ASN 269 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1ug9 h ASN 269 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1ug9 h ASN 269 CO -0.16 0.00 -0.87 -1.54 -1.29 0.00 0.00 177.43 173.57 1ug9 n SER 270 N -2.58 0.68 -4.94 1.15 3.41 -0.29 -4.94 113.62 106.11 1ug9 n SER 270 Ca -0.01 0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 1ug9 n SER 270 Cb 0.11 0.49 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1ug9 n SER 270 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ug9 s LEU 271 N -4.32 3.32 0.17 1.04 1.43 -0.61 -5.00 118.68 114.70 1ug9 s LEU 271 Ca 0.04 0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 53.25 1ug9 s LEU 271 Cb 0.13 -3.27 -0.16 0.00 0.03 0.00 0.00 46.19 42.92 1ug9 s LEU 271 CO 0.77 -1.03 1.20 -0.67 0.23 0.00 0.00 176.35 176.85 1ug9 n ASP 272 N -2.43 1.46 -4.69 2.29 2.03 0.22 -4.88 116.55 110.55 1ug9 n ASP 272 Ca 0.04 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 56.07 1ug9 n ASP 272 Cb 0.58 -1.23 -0.03 0.00 -0.72 0.00 0.00 41.12 39.73 1ug9 n ASP 272 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ug9 s ALA 273 N -0.10 3.56 0.93 -1.67 0.00 -1.26 -4.95 121.76 118.27 1ug9 s ALA 273 Ca 0.74 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1ug9 s ALA 273 Cb -0.85 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 18.85 1ug9 s ALA 273 CO 0.51 -0.82 1.09 -1.25 0.00 0.00 0.00 175.76 175.29 1ug9 s PRO 274 N 2.09 0.96 0.20 0.00 0.04 -1.26 -4.92 135.00 132.11 1ug9 s PRO 274 Ca 0.63 0.95 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 1ug9 s PRO 274 Cb -0.31 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1ug9 s PRO 274 CO 0.27 -2.48 1.30 0.00 0.04 0.00 0.00 177.00 176.13 1ug9 n ALA 275 N -4.06 0.15 0.24 8.56 0.00 -1.26 -4.85 120.51 119.28 1ug9 n ALA 275 Ca 0.07 0.44 0.10 0.00 0.00 0.00 0.00 53.44 54.05 1ug9 n ALA 275 Cb 0.54 -2.15 0.61 0.00 0.00 0.00 0.00 19.45 18.45 1ug9 n ALA 275 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ug9 h THR 276 N 2.91 0.73 0.00 0.00 1.35 -1.99 -2.59 112.91 113.32 1ug9 h THR 276 Ca -0.44 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1ug9 h THR 276 Cb 1.31 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1ug9 h THR 276 CO 0.74 0.18 0.00 -1.54 -0.25 0.00 0.00 175.52 174.65 1ug9 n SER 277 N -3.75 0.00 -4.62 5.36 3.41 -1.26 -4.70 113.62 108.05 1ug9 n SER 277 Ca -0.02 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 1ug9 n SER 277 Cb 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1ug9 n SER 277 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ug9 s LEU 278 N -1.57 4.05 1.20 1.04 1.43 -0.98 -5.03 118.68 118.83 1ug9 s LEU 278 Ca 0.16 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1ug9 s LEU 278 Cb 0.07 -3.21 0.25 0.00 0.03 0.00 0.00 46.19 43.33 1ug9 s LEU 278 CO 0.12 -0.67 0.66 0.35 0.23 0.00 0.00 176.35 177.04 1ug9 n THR 279 N 5.58 0.00 -0.01 5.49 -2.24 -1.26 -4.53 114.28 117.31 1ug9 n THR 279 Ca 0.06 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1ug9 n THR 279 Cb 0.48 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1ug9 n THR 279 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ug9 h GLY 280 N -2.66 -0.14 1.30 3.38 0.00 -1.97 -0.57 103.07 102.40 1ug9 h GLY 280 Ca -0.57 0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1ug9 h GLY 280 CO 0.43 -0.18 0.18 0.00 0.00 0.00 0.00 176.54 176.96 1ug9 h ALA 281 N 0.79 1.21 0.00 3.60 0.00 -1.99 -1.16 119.26 121.71 1ug9 h ALA 281 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ug9 h ALA 281 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ug9 h ALA 281 CO -0.30 0.55 -0.25 -0.07 0.00 0.00 0.00 179.25 179.19 1ug9 h LEU 282 N 0.86 0.00 0.09 0.00 3.38 -1.77 -1.20 115.31 116.66 1ug9 h LEU 282 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1ug9 h LEU 282 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ug9 h LEU 282 CO -0.01 0.25 -0.66 -0.09 0.09 0.00 0.00 178.44 178.02 1ug9 h ARG 283 N 0.00 0.29 -0.82 1.13 9.65 -0.50 -2.14 114.38 121.99 1ug9 h ARG 283 Ca -0.00 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 1ug9 h ARG 283 Cb 0.78 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 1ug9 h ARG 283 CO 0.03 1.17 0.42 1.15 2.80 0.00 0.00 179.97 185.54 1ug9 h THR 284 N -0.37 1.25 -0.44 0.20 2.02 -1.15 0.85 112.91 115.27 1ug9 h THR 284 Ca -0.11 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1ug9 h THR 284 Cb 1.47 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1ug9 h THR 284 CO 0.13 0.29 0.24 -0.61 0.37 0.00 0.00 175.52 175.93 1ug9 h GLN 285 N 1.15 0.61 -0.28 6.66 5.75 -1.27 0.09 115.11 127.82 1ug9 h GLN 285 Ca 0.29 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 1ug9 h GLN 285 Cb 0.07 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1ug9 h GLN 285 CO -0.04 0.49 0.06 -0.92 -2.65 0.00 0.00 178.83 175.77 1ug9 h TYR 286 N 0.57 0.11 -0.31 3.99 3.20 -0.64 0.21 116.97 124.10 1ug9 h TYR 286 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1ug9 h TYR 286 Cb 0.05 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1ug9 h TYR 286 CO -0.02 0.03 0.15 -0.44 -1.64 0.00 0.00 178.16 176.24 1ug9 h ASP 287 N 0.17 0.40 -0.43 -2.11 3.45 -0.42 -0.66 116.42 116.83 1ug9 h ASP 287 Ca 0.13 -0.13 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1ug9 h ASP 287 Cb 0.12 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1ug9 h ASP 287 CO -0.16 0.42 -0.23 0.58 -1.57 0.00 0.00 179.24 178.28 1ug9 h VAL 288 N 0.36 1.27 -0.45 -1.35 2.07 -0.80 -1.93 116.25 115.42 1ug9 h VAL 288 Ca 0.11 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 1ug9 h VAL 288 Cb 0.12 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ug9 h VAL 288 CO -0.01 0.47 -0.04 0.28 0.02 0.00 0.00 177.57 178.29 1ug9 h SER 289 N 0.81 0.74 0.19 0.57 0.02 -0.46 -1.04 113.55 114.37 1ug9 h SER 289 Ca 0.10 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1ug9 h SER 289 Cb 0.79 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1ug9 h SER 289 CO 0.07 0.83 -0.09 0.25 -1.14 0.00 0.00 176.83 176.75 1ug9 h LEU 290 N 0.71 -0.21 -1.07 5.07 6.46 -0.97 -1.59 115.31 123.70 1ug9 h LEU 290 Ca 0.13 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1ug9 h LEU 290 Cb 0.49 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1ug9 h LEU 290 CO 0.02 0.06 0.63 0.24 -0.62 0.00 0.00 178.44 178.77 1ug9 h MET 291 N -0.49 1.20 -0.52 1.25 2.86 -1.27 -1.81 114.93 116.15 1ug9 h MET 291 Ca -0.03 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1ug9 h MET 291 Cb 0.37 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1ug9 h MET 291 CO 0.04 0.79 0.20 1.15 1.06 0.00 0.00 176.91 180.16 1ug9 h THR 292 N 1.23 1.22 -0.71 2.22 2.02 -1.07 0.12 112.91 117.95 1ug9 h THR 292 Ca 0.37 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1ug9 h THR 292 Cb -0.05 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1ug9 h THR 292 CO -0.10 0.26 0.37 0.58 0.37 0.00 0.00 175.52 177.00 1ug9 h VAL 293 N 0.70 1.22 -0.33 3.16 2.07 -0.82 -2.00 116.25 120.26 1ug9 h VAL 293 Ca 0.17 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1ug9 h VAL 293 Cb 0.21 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1ug9 h VAL 293 CO -0.01 0.25 -0.09 0.50 0.02 0.00 0.00 177.57 178.24 1ug9 h LYS 294 N 0.98 0.56 0.00 1.57 3.11 -0.93 -2.36 116.57 119.50 1ug9 h LYS 294 Ca 0.25 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1ug9 h LYS 294 Cb 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ug9 h LYS 294 CO -0.04 0.65 0.00 0.43 -2.81 0.00 0.00 179.45 177.68 1ug9 n SER 295 N -4.21 0.24 -0.50 4.20 7.64 0.39 -2.19 113.62 119.18 1ug9 n SER 295 Ca 0.01 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.56 1ug9 n SER 295 Cb 0.31 -0.61 0.43 0.00 -1.01 0.00 0.00 64.21 63.34 1ug9 n SER 295 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ug9 n HIS 296 N -1.76 0.14 -3.18 1.43 8.25 -0.89 -4.83 115.22 114.39 1ug9 n HIS 296 Ca 0.03 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 1ug9 n HIS 296 Cb 0.19 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1ug9 n HIS 296 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1ug9 s GLU 297 N -1.86 4.34 0.70 -0.41 2.12 -0.93 -1.18 118.70 121.49 1ug9 s GLU 297 Ca 0.34 0.74 -0.13 0.00 0.36 0.00 0.00 54.97 56.28 1ug9 s GLU 297 Cb 0.18 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 31.22 1ug9 s GLU 297 CO 0.28 0.30 1.10 0.34 -0.54 0.00 0.00 175.26 176.73 1ug9 s ASP 298 N 0.05 4.94 -0.16 -1.70 2.15 0.39 -4.96 116.67 117.38 1ug9 s ASP 298 Ca 0.32 1.90 0.19 0.00 0.43 0.00 0.00 52.55 55.38 1ug9 s ASP 298 Cb -0.18 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.64 1ug9 s ASP 298 CO 0.17 -1.74 0.18 0.29 -0.17 0.00 0.00 175.17 173.89 1ug9 n LYS 299 N -2.84 0.68 0.05 4.34 4.76 -1.26 -3.92 118.16 119.97 1ug9 n LYS 299 Ca 0.10 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1ug9 n LYS 299 Cb 0.52 -1.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.05 1ug9 n LYS 299 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1ug9 h THR 300 N 0.00 1.53 -2.50 -0.18 2.02 -1.88 -3.38 112.91 108.53 1ug9 h THR 300 Ca -0.44 -3.24 -0.60 0.00 0.77 0.00 0.00 66.41 62.90 1ug9 h THR 300 Cb 2.01 2.80 -0.41 0.00 -1.74 0.00 0.00 68.15 70.80 1ug9 h THR 300 CO 0.03 0.89 -0.69 0.49 0.37 0.00 0.00 175.52 176.60 1ug9 n PHE 301 N -3.34 2.50 -1.64 3.16 3.72 -1.26 -5.09 117.46 115.51 1ug9 n PHE 301 Ca -0.05 -4.04 -0.47 0.00 -0.05 0.00 0.00 57.45 52.84 1ug9 n PHE 301 Cb 0.97 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1ug9 n PHE 301 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ug9 n PRO 302 N 1.53 1.72 0.00 -1.08 -0.04 -1.25 -1.74 135.00 134.14 1ug9 n PRO 302 Ca 0.25 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1ug9 n PRO 302 Cb 0.41 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ug9 n PRO 302 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 303 N 2.34 1.52 3.74 0.55 0.00 -1.26 -4.67 105.19 107.40 1ug9 n GLY 303 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1ug9 n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 304 N -2.29 3.62 -0.14 4.61 0.00 -0.71 -3.82 121.76 123.04 1ug9 s ALA 304 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1ug9 s ALA 304 Cb 0.00 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1ug9 s ALA 304 CO 0.00 0.15 -0.22 -0.06 0.00 0.00 0.00 175.76 175.63 1ug9 s PHE 305 N 0.30 2.67 0.45 0.00 0.40 -1.26 -0.46 117.98 120.08 1ug9 s PHE 305 Ca 0.16 -1.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.02 1ug9 s PHE 305 Cb -0.13 -1.82 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 1ug9 s PHE 305 CO 0.04 -0.61 0.86 0.96 0.70 0.00 0.00 175.22 177.16 1ug9 s ILE 306 N 0.81 4.70 0.13 0.64 -0.00 -0.32 -4.31 121.20 122.85 1ug9 s ILE 306 Ca -0.07 0.82 -0.16 0.00 -0.00 0.00 0.00 60.65 61.23 1ug9 s ILE 306 Cb -0.16 -3.74 -0.02 0.00 -0.00 0.00 0.00 42.46 38.55 1ug9 s ILE 306 CO -0.02 -0.62 1.67 0.00 -0.00 0.00 0.00 174.94 175.97 1ug9 h ALA 307 N 1.03 0.48 -1.61 2.27 0.00 -0.54 -3.46 119.26 117.42 1ug9 h ALA 307 Ca -0.47 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.38 1ug9 h ALA 307 Cb 1.19 -0.15 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 1ug9 h ALA 307 CO 0.63 0.09 0.39 0.45 0.00 0.00 0.00 179.25 180.81 1ug9 s SER 308 N -5.82 -0.51 -0.33 0.00 0.15 -0.60 -2.44 113.70 104.14 1ug9 s SER 308 Ca -0.13 0.90 -0.05 0.00 0.70 0.00 0.00 55.95 57.37 1ug9 s SER 308 Cb 0.10 1.05 -0.15 0.00 -1.71 0.00 0.00 66.02 65.31 1ug9 s SER 308 CO 0.75 -0.15 2.53 0.18 1.20 0.00 0.00 173.24 177.74 1ug9 n LEU 309 N 2.94 4.26 -3.93 3.45 4.77 -1.26 -2.34 117.00 124.88 1ug9 n LEU 309 Ca -0.15 -2.60 -0.10 0.00 -0.03 0.00 0.00 56.01 53.13 1ug9 n LEU 309 Cb 0.57 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1ug9 n LEU 309 CO 0.02 0.99 0.34 0.28 -1.33 0.00 0.00 177.39 177.69 1ug9 s THR 310 N 2.08 0.00 -0.20 -5.08 -1.32 -1.26 -4.97 115.64 104.89 1ug9 s THR 310 Ca 0.46 -1.24 -0.02 0.00 -1.21 0.00 0.00 61.69 59.67 1ug9 s THR 310 Cb 0.19 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.72 1ug9 s THR 310 CO -0.01 0.00 0.02 -0.63 -2.21 0.00 0.00 174.62 171.79 1ug9 s ILE 311 N -3.17 0.69 0.20 5.08 1.01 -1.26 -2.26 121.20 121.50 1ug9 s ILE 311 Ca 0.20 -0.66 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 1ug9 s ILE 311 Cb -0.03 -1.15 -0.14 0.00 0.01 0.00 0.00 42.46 41.15 1ug9 s ILE 311 CO 0.12 -0.18 1.50 -0.81 0.00 0.00 0.00 174.94 175.57 1ug9 n PRO 312 N 4.99 2.12 -3.85 2.79 -0.04 -1.26 -1.23 135.00 138.51 1ug9 n PRO 312 Ca -0.09 0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 1ug9 n PRO 312 Cb 0.47 -2.48 0.02 0.00 -0.04 0.00 0.00 33.50 31.46 1ug9 n PRO 312 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1ug9 n TRP 313 N 2.66 -2.16 -0.01 0.54 8.01 -0.86 -4.83 117.44 120.78 1ug9 n TRP 313 Ca 0.14 0.82 0.23 0.00 -1.31 0.00 0.00 57.50 57.38 1ug9 n TRP 313 Cb 0.30 -3.74 0.72 0.00 -2.01 0.00 0.00 31.31 26.59 1ug9 n TRP 313 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 1ug9 h GLY 314 N -1.85 0.00 2.00 6.99 0.00 -1.10 -0.43 103.07 108.68 1ug9 h GLY 314 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1ug9 h GLY 314 CO 0.67 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.15 1ug9 n GLN 315 N -3.98 0.02 -0.04 4.80 3.00 -1.23 -0.95 117.38 118.99 1ug9 n GLN 315 Ca 0.11 0.26 0.02 0.00 -0.01 0.00 0.00 57.00 57.38 1ug9 n GLN 315 Cb 0.74 -1.54 0.04 0.00 0.00 0.00 0.00 30.24 29.48 1ug9 n GLN 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ug9 n ALA 316 N -1.53 2.11 -2.80 -1.58 0.00 -0.18 -4.71 120.51 111.84 1ug9 n ALA 316 Ca 0.03 -0.97 -0.39 0.00 0.00 0.00 0.00 53.44 52.11 1ug9 n ALA 316 Cb 0.18 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 1ug9 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug9 s ALA 317 N -0.90 3.33 0.62 0.00 0.00 -0.93 -4.99 121.76 118.88 1ug9 s ALA 317 Ca 0.06 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 1ug9 s ALA 317 Cb 0.03 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1ug9 s ALA 317 CO 0.05 -0.94 1.30 -1.54 0.00 0.00 0.00 175.76 174.63 1ug9 s SER 318 N 1.63 4.82 -0.00 0.00 1.04 -1.26 -0.19 113.70 119.73 1ug9 s SER 318 Ca 0.05 2.64 0.07 0.00 0.48 0.00 0.00 55.95 59.19 1ug9 s SER 318 Cb -0.17 -2.62 0.21 0.00 0.10 0.00 0.00 66.02 63.54 1ug9 s SER 318 CO 0.07 -1.87 1.18 0.00 0.98 0.00 0.00 173.24 173.60 1ug9 n ALA 319 N -1.66 2.13 -0.18 5.32 0.00 0.01 -4.67 120.51 121.45 1ug9 n ALA 319 Ca 0.14 -1.12 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 1ug9 n ALA 319 Cb 0.47 -0.30 0.03 0.00 0.00 0.00 0.00 19.45 19.66 1ug9 n ALA 319 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ug9 h GLU 320 N 1.37 1.02 -6.22 0.00 3.07 -1.89 0.12 114.58 112.04 1ug9 h GLU 320 Ca 0.00 -0.36 -0.66 0.00 -0.50 0.00 0.00 59.36 57.84 1ug9 h GLU 320 Cb 0.67 -0.08 -0.13 0.00 -0.84 0.00 0.00 28.75 28.37 1ug9 h GLU 320 CO 0.00 1.04 -0.65 0.99 -1.40 0.00 0.00 179.01 179.00 1ug9 s THR 321 N -4.89 4.13 -0.15 1.13 2.01 -1.26 -4.58 115.64 112.02 1ug9 s THR 321 Ca -0.11 -0.73 -0.38 0.00 0.31 0.00 0.00 61.69 60.77 1ug9 s THR 321 Cb 0.13 -2.89 -0.15 0.00 0.01 0.00 0.00 72.50 69.61 1ug9 s THR 321 CO 0.86 0.28 1.70 1.41 -0.69 0.00 0.00 174.62 178.18 1ug9 n HIS 322 N 1.08 2.04 -4.38 4.92 8.25 -1.26 -4.88 115.22 121.00 1ug9 n HIS 322 Ca -0.13 0.42 -0.27 0.00 -0.26 0.00 0.00 57.72 57.48 1ug9 n HIS 322 Cb 0.52 -2.49 -0.12 0.00 1.12 0.00 0.00 29.99 29.02 1ug9 n HIS 322 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ug9 s ARG 323 N 3.02 1.38 -0.09 -0.41 3.52 -1.26 -5.06 118.95 120.05 1ug9 s ARG 323 Ca 0.94 -1.38 -0.10 0.00 -0.13 0.00 0.00 55.73 55.07 1ug9 s ARG 323 Cb -0.95 -1.76 -0.28 0.00 -1.56 0.00 0.00 34.95 30.39 1ug9 s ARG 323 CO 0.58 0.40 0.52 1.49 -0.81 0.00 0.00 175.30 177.48 1ug9 h GLU 324 N 3.67 0.32 0.00 5.12 4.81 -1.94 -3.49 114.58 123.06 1ug9 h GLU 324 Ca -0.48 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.19 1ug9 h GLU 324 Cb 1.19 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1ug9 h GLU 324 CO 0.43 1.26 0.00 0.41 -0.73 0.00 0.00 179.01 180.38 1ug9 n GLY 325 N 1.91 2.97 0.25 1.92 0.00 -1.26 -2.47 105.19 108.50 1ug9 n GLY 325 Ca -0.28 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1ug9 n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ug9 n TYR 326 N 14.00 0.00 -1.71 1.61 0.53 -0.96 -4.78 117.16 125.86 1ug9 n TYR 326 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 1ug9 n TYR 326 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.30 1ug9 n TYR 326 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 1ug9 n HIS 327 N -0.24 2.71 -4.14 -0.72 1.44 -0.99 -1.56 115.22 111.73 1ug9 n HIS 327 Ca 0.05 -2.96 -0.15 0.00 -2.01 0.00 0.00 57.72 52.65 1ug9 n HIS 327 Cb 0.23 -2.24 -0.06 0.00 0.12 0.00 0.00 29.99 28.04 1ug9 n HIS 327 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ug9 s ALA 328 N 1.12 0.95 -0.35 1.59 0.00 -1.26 -4.32 121.76 119.49 1ug9 s ALA 328 Ca 0.58 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1ug9 s ALA 328 Cb 0.16 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.53 1ug9 s ALA 328 CO -0.07 -0.74 0.23 0.08 0.00 0.00 0.00 175.76 175.27 1ug9 s VAL 329 N -3.45 5.15 -0.18 0.00 1.01 -0.27 -0.16 120.40 122.50 1ug9 s VAL 329 Ca 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1ug9 s VAL 329 Cb 0.01 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1ug9 s VAL 329 CO 0.19 -0.04 -0.02 0.26 0.00 0.00 0.00 175.10 175.49 1ug9 s TRP 330 N 1.69 3.03 0.30 5.22 0.51 -1.26 -1.74 118.94 126.70 1ug9 s TRP 330 Ca 0.06 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1ug9 s TRP 330 Cb -0.18 -2.03 0.57 0.00 -0.81 0.00 0.00 33.47 31.02 1ug9 s TRP 330 CO 0.10 -0.16 1.89 0.00 -0.51 0.00 0.00 176.95 178.26 1ug9 h ALA 331 N 7.16 1.55 0.87 0.98 0.00 -1.85 -1.81 119.26 126.16 1ug9 h ALA 331 Ca -0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1ug9 h ALA 331 Cb 1.18 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ug9 h ALA 331 CO 0.62 0.27 -0.42 -0.09 0.00 0.00 0.00 179.25 179.63 1ug9 h ARG 332 N 0.98 -1.13 -0.45 0.00 2.43 -1.88 -1.18 114.38 113.16 1ug9 h ARG 332 Ca 0.42 0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.70 1ug9 h ARG 332 Cb 0.33 0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1ug9 h ARG 332 CO -0.18 -0.75 0.30 -0.44 -1.51 0.00 0.00 179.97 177.39 1ug9 h ASP 333 N -1.19 0.43 -0.48 -3.80 3.45 -1.93 -0.86 116.42 112.04 1ug9 h ASP 333 Ca -0.12 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.27 1ug9 h ASP 333 Cb 0.90 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.55 1ug9 h ASP 333 CO 0.20 0.30 0.06 -0.03 -1.57 0.00 0.00 179.24 178.20 1ug9 h MET 334 N 0.51 0.81 -0.41 3.56 4.05 -1.19 -0.04 114.93 122.21 1ug9 h MET 334 Ca 0.18 -0.23 0.07 0.00 -0.28 0.00 0.00 59.70 59.45 1ug9 h MET 334 Cb 0.09 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 1ug9 h MET 334 CO -0.04 0.82 0.03 -0.92 0.23 0.00 0.00 176.91 177.03 1ug9 h TYR 335 N 0.68 0.03 -0.76 1.39 3.20 0.10 0.15 116.97 121.76 1ug9 h TYR 335 Ca 0.15 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1ug9 h TYR 335 Cb 0.41 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1ug9 h TYR 335 CO 0.03 -0.05 0.49 1.96 -1.64 0.00 0.00 178.16 178.95 1ug9 h GLN 336 N 0.14 0.93 0.00 1.82 1.08 -0.83 -0.62 115.11 117.64 1ug9 h GLN 336 Ca 0.20 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1ug9 h GLN 336 Cb 0.28 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1ug9 h GLN 336 CO -0.31 0.62 -0.00 0.77 -0.95 0.00 0.00 178.83 178.95 1ug9 h SER 337 N 0.96 -0.00 0.70 1.46 0.02 0.57 -2.11 113.55 115.15 1ug9 h SER 337 Ca 0.30 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1ug9 h SER 337 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ug9 h SER 337 CO -0.10 0.32 -0.60 -0.37 -1.14 0.00 0.00 176.83 174.94 1ug9 h VAL 338 N -0.33 1.35 -0.13 2.27 -1.51 -0.73 -1.12 116.25 116.05 1ug9 h VAL 338 Ca -0.00 -2.10 -0.11 0.00 -1.23 0.00 0.00 66.70 63.26 1ug9 h VAL 338 Cb 0.33 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1ug9 h VAL 338 CO 0.00 0.59 -0.40 0.00 -1.23 0.00 0.00 177.57 176.53 1ug9 h THR 339 N 0.00 1.31 -0.08 7.19 1.03 -1.12 0.23 112.91 121.46 1ug9 h THR 339 Ca -0.01 -1.51 -0.23 0.00 -0.01 0.00 0.00 66.41 64.65 1ug9 h THR 339 Cb 1.11 1.65 0.01 0.00 -1.07 0.00 0.00 68.15 69.86 1ug9 h THR 339 CO 0.08 0.45 -0.86 0.00 -0.01 0.00 0.00 175.52 175.18 1ug9 h ALA 340 N 1.35 0.22 -0.16 0.00 0.00 -1.01 -2.09 119.26 117.56 1ug9 h ALA 340 Ca 0.02 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1ug9 h ALA 340 Cb 0.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ug9 h ALA 340 CO 0.06 0.65 -0.33 -0.07 0.00 0.00 0.00 179.25 179.57 1ug9 h LEU 341 N 0.43 0.32 -0.89 0.00 3.38 -0.98 -2.12 115.31 115.46 1ug9 h LEU 341 Ca -0.08 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1ug9 h LEU 341 Cb 1.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1ug9 h LEU 341 CO 0.17 0.64 -0.07 0.25 0.09 0.00 0.00 178.44 179.52 1ug9 h LEU 342 N 0.28 0.72 -1.15 1.67 5.85 -0.48 -0.19 115.31 122.01 1ug9 h LEU 342 Ca 0.04 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1ug9 h LEU 342 Cb 0.71 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ug9 h LEU 342 CO 0.05 0.84 -0.32 0.00 -0.34 0.00 0.00 178.44 178.67 1ug9 h ALA 343 N 1.24 1.29 0.00 1.25 0.00 -0.73 -2.95 119.26 119.36 1ug9 h ALA 343 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ug9 h ALA 343 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ug9 h ALA 343 CO 0.03 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.26 1ug9 h ALA 344 N 1.52 0.69 0.00 0.00 0.00 -0.90 -3.47 119.26 117.09 1ug9 h ALA 344 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ug9 h ALA 344 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ug9 h ALA 344 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ug9 n GLY 345 N 1.26 1.09 3.46 0.00 0.00 -0.50 -0.61 105.19 109.89 1ug9 n GLY 345 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1ug9 n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ug9 s ASP 346 N -1.15 6.84 0.16 1.61 3.68 -0.20 -4.81 116.67 122.79 1ug9 s ASP 346 Ca 0.00 -2.50 -0.06 0.00 2.13 0.00 0.00 52.55 52.12 1ug9 s ASP 346 Cb 0.00 -2.40 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1ug9 s ASP 346 CO 0.00 -0.91 1.42 -0.08 0.13 0.00 0.00 175.17 175.72 1ug9 h GLU 347 N 8.02 0.58 -0.28 4.34 4.57 -1.91 -3.29 114.58 126.61 1ug9 h GLU 347 Ca 0.24 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1ug9 h GLU 347 Cb 0.95 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 1ug9 h GLU 347 CO 1.18 1.06 -0.04 1.49 -1.18 0.00 0.00 179.01 181.52 1ug9 h GLU 348 N 0.41 0.04 -0.95 1.92 4.81 -1.98 -1.70 114.58 117.13 1ug9 h GLU 348 Ca -0.02 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1ug9 h GLU 348 Cb 1.27 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 1ug9 h GLU 348 CO 0.13 0.03 0.59 0.00 -0.73 0.00 0.00 179.01 179.02 1ug9 h ALA 349 N 1.27 1.40 -0.38 2.92 0.00 -1.98 -0.44 119.26 122.05 1ug9 h ALA 349 Ca 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ug9 h ALA 349 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ug9 h ALA 349 CO -0.26 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ug9 h ALA 350 N 1.51 0.51 -0.49 0.00 0.00 -1.48 0.21 119.26 119.52 1ug9 h ALA 350 Ca 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ug9 h ALA 350 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ug9 h ALA 350 CO -0.25 0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.55 1ug9 h ALA 351 N 0.88 0.62 -0.34 0.00 0.00 -0.57 0.67 119.26 120.52 1ug9 h ALA 351 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ug9 h ALA 351 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ug9 h ALA 351 CO 0.02 0.14 0.11 0.00 0.00 0.00 0.00 179.25 179.52 1ug9 h ARG 352 N 0.64 0.52 -0.11 0.00 3.08 -0.99 -2.20 114.38 115.32 1ug9 h ARG 352 Ca 0.17 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1ug9 h ARG 352 Cb 0.05 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1ug9 h ARG 352 CO -0.03 0.55 -0.25 0.78 -1.07 0.00 0.00 179.97 179.95 1ug9 h GLY 353 N 0.39 -0.29 0.88 0.04 0.00 -0.04 0.14 103.07 104.19 1ug9 h GLY 353 Ca 0.11 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1ug9 h GLY 353 CO -0.00 -0.20 0.55 -0.24 0.00 0.00 0.00 176.54 176.64 1ug9 h VAL 354 N -0.33 1.14 -0.11 4.60 3.04 -0.81 -0.43 116.25 123.35 1ug9 h VAL 354 Ca 0.09 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1ug9 h VAL 354 Cb 0.47 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.72 1ug9 h VAL 354 CO -0.30 0.19 0.04 -0.08 -1.01 0.00 0.00 177.57 176.42 1ug9 h GLU 355 N 1.06 0.16 -0.53 4.17 4.57 -0.85 -2.75 114.58 120.42 1ug9 h GLU 355 Ca 0.34 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1ug9 h GLU 355 Cb 0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ug9 h GLU 355 CO -0.11 0.27 0.25 2.35 -1.18 0.00 0.00 179.01 180.58 1ug9 h TRP 356 N 0.02 0.76 0.07 0.92 7.01 -0.36 -0.74 115.95 123.63 1ug9 h TRP 356 Ca 0.04 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1ug9 h TRP 356 Cb 0.16 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 1ug9 h TRP 356 CO -0.02 0.59 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.89 1ug9 h LEU 357 N 0.70 -0.78 -0.57 0.65 3.38 -1.02 0.29 115.31 117.96 1ug9 h LEU 357 Ca 0.18 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1ug9 h LEU 357 Cb 0.12 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ug9 h LEU 357 CO -0.02 -0.35 -0.71 -0.26 0.09 0.00 0.00 178.44 177.19 1ug9 h PHE 358 N -0.45 0.05 0.03 1.13 0.04 -1.45 -0.70 116.94 115.60 1ug9 h PHE 358 Ca 0.04 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1ug9 h PHE 358 Cb 0.50 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1ug9 h PHE 358 CO -0.27 0.73 -0.26 1.15 -0.60 0.00 0.00 178.31 179.07 1ug9 h THR 359 N 0.03 1.69 0.05 -1.55 2.02 -0.99 -3.38 112.91 110.78 1ug9 h THR 359 Ca -0.01 -2.39 -0.37 0.00 0.77 0.00 0.00 66.41 64.41 1ug9 h THR 359 Cb 1.26 3.30 -0.05 0.00 -1.74 0.00 0.00 68.15 70.92 1ug9 h THR 359 CO 0.10 0.62 -2.24 -1.22 0.37 0.00 0.00 175.52 173.16 1ug9 n TYR 360 N -4.48 0.57 -0.05 3.16 4.01 0.10 -4.70 117.16 115.78 1ug9 n TYR 360 Ca -0.12 0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1ug9 n TYR 360 Cb 0.57 -1.08 -0.14 0.00 -0.31 0.00 0.00 39.34 38.38 1ug9 n TYR 360 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ug9 n GLN 361 N -3.31 0.66 -1.70 -0.72 7.27 -0.76 -4.48 117.38 114.35 1ug9 n GLN 361 Ca -0.38 0.20 -0.43 0.00 0.07 0.00 0.00 57.00 56.46 1ug9 n GLN 361 Cb 1.03 -1.69 -0.03 0.00 2.41 0.00 0.00 30.24 31.96 1ug9 n GLN 361 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1ug9 n GLN 362 N -3.03 2.48 -2.18 3.69 7.27 -0.34 -4.34 117.38 120.94 1ug9 n GLN 362 Ca -0.25 0.89 -0.30 0.00 0.07 0.00 0.00 57.00 57.41 1ug9 n GLN 362 Cb 1.08 -2.68 -0.00 0.00 2.41 0.00 0.00 30.24 31.05 1ug9 n GLN 362 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1ug9 s GLN 363 N 0.55 3.65 0.61 3.69 -1.52 -0.60 -4.95 119.66 121.08 1ug9 s GLN 363 Ca 0.73 0.64 0.31 0.00 -1.95 0.00 0.00 55.36 55.09 1ug9 s GLN 363 Cb -0.57 -2.17 1.80 0.00 -0.22 0.00 0.00 33.01 31.84 1ug9 s GLN 363 CO 0.39 -0.41 2.16 -1.00 -0.25 0.00 0.00 175.29 176.19 1ug9 h PRO 364 N 0.09 0.00 -0.00 2.91 0.13 -1.93 -1.18 132.00 132.01 1ug9 h PRO 364 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ug9 h PRO 364 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ug9 h PRO 364 CO 0.62 0.00 -0.06 -0.40 -0.23 0.00 0.00 178.00 177.93 1ug9 n ASP 365 N -3.65 0.30 0.00 1.44 5.68 -1.26 -4.93 116.55 114.13 1ug9 n ASP 365 Ca -0.00 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 1ug9 n ASP 365 Cb 0.23 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1ug9 n ASP 365 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ug9 n GLY 366 N 1.25 1.79 3.92 6.12 0.00 -0.45 -4.73 105.19 113.09 1ug9 n GLY 366 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ug9 n GLY 366 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ug9 s HIS 367 N -2.02 3.22 -0.13 1.61 -3.43 -1.26 -3.85 115.29 109.42 1ug9 s HIS 367 Ca 0.00 0.65 -0.06 0.00 -0.80 0.00 0.00 55.06 54.84 1ug9 s HIS 367 Cb 0.00 -2.82 -0.04 0.00 -1.43 0.00 0.00 32.58 28.29 1ug9 s HIS 367 CO 0.00 -0.92 0.09 -0.06 -2.00 0.00 0.00 174.74 171.85 1ug9 s PHE 368 N -3.05 3.41 0.82 0.38 0.40 -1.26 -1.56 117.98 117.12 1ug9 s PHE 368 Ca 0.55 0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 57.11 1ug9 s PHE 368 Cb -0.11 -1.96 0.09 0.00 0.51 0.00 0.00 43.02 41.55 1ug9 s PHE 368 CO 0.46 0.51 1.11 -1.25 0.70 0.00 0.00 175.22 176.75 1ug9 s PRO 369 N -0.57 1.84 0.24 0.24 0.04 -1.26 -4.70 135.00 130.83 1ug9 s PRO 369 Ca 0.11 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 1ug9 s PRO 369 Cb -0.12 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 32.81 1ug9 s PRO 369 CO 0.02 -1.98 1.91 0.37 0.04 0.00 0.00 177.00 177.36 1ug9 h GLN 370 N -1.33 1.23 -3.74 4.56 4.15 -1.47 -3.44 115.11 115.07 1ug9 h GLN 370 Ca -0.44 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 58.83 1ug9 h GLN 370 Cb 1.25 -0.27 -0.14 0.00 0.21 0.00 0.00 27.48 28.53 1ug9 h GLN 370 CO 0.48 0.82 -0.31 0.99 -1.93 0.00 0.00 178.83 178.88 1ug9 s THR 371 N -6.11 0.12 0.25 2.39 2.01 -1.09 -4.46 115.64 108.75 1ug9 s THR 371 Ca -0.13 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.60 1ug9 s THR 371 Cb 0.17 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1ug9 s THR 371 CO 0.81 -0.55 0.60 -0.94 -0.69 0.00 0.00 174.62 173.84 1ug9 s SER 372 N -2.86 -0.20 0.56 3.53 1.04 -0.71 -0.96 113.70 114.10 1ug9 s SER 372 Ca 0.06 -0.72 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1ug9 s SER 372 Cb 0.04 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1ug9 s SER 372 CO -0.10 -1.22 0.82 -0.60 0.98 0.00 0.00 173.24 173.11 1ug9 s ARG 373 N -3.95 2.75 0.61 4.02 3.52 0.68 -1.11 118.95 125.47 1ug9 s ARG 373 Ca 0.15 -0.39 0.33 0.00 -0.13 0.00 0.00 55.73 55.68 1ug9 s ARG 373 Cb -0.03 -2.40 1.89 0.00 -1.56 0.00 0.00 34.95 32.85 1ug9 s ARG 373 CO 0.06 -0.66 2.21 -0.39 -0.81 0.00 0.00 175.30 175.71 1ug9 h VAL 374 N -0.01 0.37 -0.08 7.11 -1.51 -1.95 0.14 116.25 120.32 1ug9 h VAL 374 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1ug9 h VAL 374 Cb 1.28 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1ug9 h VAL 374 CO 0.57 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 1ug9 n ASP 375 N -3.61 1.49 0.00 4.19 5.75 -1.26 -4.83 116.55 118.27 1ug9 n ASP 375 Ca -0.01 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1ug9 n ASP 375 Cb 0.18 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1ug9 n ASP 375 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ug9 n GLY 376 N 1.14 0.72 3.65 6.12 0.00 0.49 -4.90 105.19 112.41 1ug9 n GLY 376 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ug9 n GLY 376 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ug9 s THR 377 N -2.31 3.05 0.25 2.61 2.01 -1.26 -4.58 115.64 115.40 1ug9 s THR 377 Ca 0.00 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 1ug9 s THR 377 Cb 0.00 -3.04 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 1ug9 s THR 377 CO 0.00 -0.01 1.33 0.00 -0.69 0.00 0.00 174.62 175.25 1ug9 n ILE 378 N 5.89 1.17 0.00 1.82 3.06 -1.26 -0.23 119.36 129.81 1ug9 n ILE 378 Ca 0.21 -0.29 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1ug9 n ILE 378 Cb 0.42 -1.37 0.00 0.00 0.54 0.00 0.00 39.64 39.23 1ug9 n ILE 378 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ug9 n GLY 379 N 1.87 0.23 3.82 4.50 0.00 -0.13 -4.80 105.19 110.67 1ug9 n GLY 379 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1ug9 n GLY 379 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ug9 s GLN 380 N 0.59 4.26 -0.18 1.61 -0.21 -1.25 -4.91 119.66 119.57 1ug9 s GLN 380 Ca 0.00 1.12 0.16 0.00 0.02 0.00 0.00 55.36 56.66 1ug9 s GLN 380 Cb 0.00 -2.27 0.43 0.00 1.00 0.00 0.00 33.01 32.16 1ug9 s GLN 380 CO 0.00 0.02 1.31 -1.71 -2.12 0.00 0.00 175.29 172.79 1ug9 n ASN 381 N -0.47 2.90 -4.77 5.90 5.15 -1.26 -2.67 115.26 120.03 1ug9 n ASN 381 Ca 0.06 -3.23 -0.32 0.00 -0.60 0.00 0.00 54.58 50.49 1ug9 n ASN 381 Cb 0.53 -0.51 0.07 0.00 -0.53 0.00 0.00 39.78 39.34 1ug9 n ASN 381 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1ug9 s GLY 382 N -2.50 1.95 -0.43 8.20 0.00 -1.26 -4.77 107.32 108.51 1ug9 s GLY 382 Ca 0.38 0.43 -0.13 0.00 0.00 0.00 0.00 44.72 45.40 1ug9 s GLY 382 CO 0.04 0.78 0.31 -0.42 0.00 0.00 0.00 173.10 173.81 1ug9 s ILE 383 N -2.58 4.91 -0.32 0.90 -1.09 -1.26 -3.05 121.20 118.71 1ug9 s ILE 383 Ca 0.64 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1ug9 s ILE 383 Cb -0.19 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 36.89 1ug9 s ILE 383 CO 0.48 -0.45 0.04 -1.10 -1.23 0.00 0.00 174.94 172.68 1ug9 s GLN 384 N 1.59 2.26 0.58 2.79 -0.21 -1.26 -2.19 119.66 123.22 1ug9 s GLN 384 Ca 0.04 -1.43 0.28 0.00 0.02 0.00 0.00 55.36 54.27 1ug9 s GLN 384 Cb -0.22 -3.25 1.72 0.00 1.00 0.00 0.00 33.01 32.26 1ug9 s GLN 384 CO 0.06 -0.73 2.20 -0.07 -2.12 0.00 0.00 175.29 174.63 1ug9 h LEU 385 N 7.97 0.00 -1.38 2.90 3.38 -1.95 -1.38 115.31 124.85 1ug9 h LEU 385 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1ug9 h LEU 385 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ug9 h LEU 385 CO 0.56 0.00 -0.12 -2.24 0.09 0.00 0.00 178.44 176.73 1ug9 h ASP 386 N 0.00 0.00 1.10 -0.43 2.03 -1.87 -2.04 116.42 115.22 1ug9 h ASP 386 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1ug9 h ASP 386 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1ug9 h ASP 386 CO -0.00 0.12 0.00 -0.62 -1.03 0.00 0.00 179.24 177.71 1ug9 n GLU 387 N -3.29 0.14 -0.07 4.15 1.02 -0.52 -0.98 120.64 121.09 1ug9 n GLU 387 Ca 0.00 0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1ug9 n GLU 387 Cb 0.35 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.92 1ug9 n GLU 387 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ug9 n THR 388 N -1.95 1.06 -0.02 2.62 -1.04 -0.92 -4.34 114.28 109.69 1ug9 n THR 388 Ca 0.05 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 1ug9 n THR 388 Cb 0.34 -0.38 -0.11 0.00 -1.82 0.00 0.00 70.33 68.36 1ug9 n THR 388 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug9 h ALA 389 N 1.25 0.07 -0.34 2.41 0.00 -1.13 -3.30 119.26 118.22 1ug9 h ALA 389 Ca -0.39 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.08 1ug9 h ALA 389 Cb 1.92 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1ug9 h ALA 389 CO 0.03 0.16 0.13 0.74 0.00 0.00 0.00 179.25 180.30 1ug9 h PHE 390 N -0.33 0.23 -0.44 0.00 0.04 -1.28 -0.85 116.94 114.32 1ug9 h PHE 390 Ca -0.04 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.82 1ug9 h PHE 390 Cb 1.05 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1ug9 h PHE 390 CO 0.16 0.10 0.30 -1.00 -0.60 0.00 0.00 178.31 177.27 1ug9 h PRO 391 N 0.28 0.29 -0.28 1.51 0.13 -1.76 0.11 132.00 132.28 1ug9 h PRO 391 Ca 0.15 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1ug9 h PRO 391 Cb 0.12 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1ug9 h PRO 391 CO -0.15 0.19 0.03 0.82 -0.23 0.00 0.00 178.00 178.66 1ug9 h ILE 392 N 0.30 1.24 0.00 -3.56 2.04 -1.28 -1.66 117.51 114.59 1ug9 h ILE 392 Ca 0.20 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1ug9 h ILE 392 Cb 0.39 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1ug9 h ILE 392 CO -0.04 0.27 -0.17 -0.07 0.00 0.00 0.00 178.15 178.14 1ug9 h LEU 393 N 0.27 0.00 -0.25 1.44 3.38 0.05 -0.59 115.31 119.62 1ug9 h LEU 393 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1ug9 h LEU 393 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ug9 h LEU 393 CO 0.01 0.17 -0.30 0.25 0.09 0.00 0.00 178.44 178.66 1ug9 h LEU 394 N 0.00 0.69 -1.31 1.67 5.85 -0.51 -1.48 115.31 120.23 1ug9 h LEU 394 Ca -0.00 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 1ug9 h LEU 394 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ug9 h LEU 394 CO 0.02 1.04 -0.29 0.00 -0.34 0.00 0.00 178.44 178.88 1ug9 h ALA 395 N 0.67 1.43 -0.19 1.25 0.00 -0.56 -2.07 119.26 119.79 1ug9 h ALA 395 Ca 0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1ug9 h ALA 395 Cb 0.87 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ug9 h ALA 395 CO 0.07 0.42 -0.22 -0.97 0.00 0.00 0.00 179.25 178.55 1ug9 h ASN 396 N 0.08 0.51 -0.20 0.00 -1.24 -0.93 -2.29 115.58 111.52 1ug9 h ASN 396 Ca 0.01 -0.49 -0.06 0.00 0.71 0.00 0.00 56.30 56.46 1ug9 h ASN 396 Cb 0.56 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 1ug9 h ASN 396 CO 0.04 0.90 -0.07 -0.61 -1.29 0.00 0.00 177.43 176.41 1ug9 h GLN 397 N 0.13 0.55 0.00 6.67 4.15 -1.00 -3.13 115.11 122.48 1ug9 h GLN 397 Ca 0.03 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ug9 h GLN 397 Cb 0.77 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1ug9 h GLN 397 CO 0.05 0.62 -0.39 -0.89 -1.93 0.00 0.00 178.83 176.30 1ug9 n ILE 398 N -4.23 0.23 -0.84 2.39 -0.00 -0.80 -4.95 119.36 111.15 1ug9 n ILE 398 Ca 0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 1ug9 n ILE 398 Cb 0.29 -0.16 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 1ug9 n ILE 398 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ug9 n GLY 399 N 1.41 0.67 3.57 7.39 0.00 -0.94 -4.94 105.19 112.35 1ug9 n GLY 399 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1ug9 n GLY 399 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ug9 s ARG 400 N -0.16 2.72 -0.06 1.61 6.06 -0.90 -4.51 118.95 123.71 1ug9 s ARG 400 Ca 0.00 -1.08 0.08 0.00 -2.50 0.00 0.00 55.73 52.23 1ug9 s ARG 400 Cb 0.00 -5.24 0.13 0.00 0.06 0.00 0.00 34.95 29.89 1ug9 s ARG 400 CO 0.00 -3.60 1.05 0.25 -2.50 0.00 0.00 175.30 170.51 1ug9 n THR 401 N 7.62 0.84 -1.78 4.11 -2.24 -1.26 -4.76 114.28 116.81 1ug9 n THR 401 Ca 0.44 -1.01 -0.39 0.00 -2.27 0.00 0.00 64.05 60.82 1ug9 n THR 401 Cb 0.47 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1ug9 n THR 401 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ug9 s ASP 402 N -1.80 5.45 0.33 3.42 1.47 -1.26 -4.70 116.67 119.59 1ug9 s ASP 402 Ca 0.14 2.82 0.13 0.00 1.18 0.00 0.00 52.55 56.82 1ug9 s ASP 402 Cb 0.12 -2.64 1.03 0.00 -0.34 0.00 0.00 42.92 41.09 1ug9 s ASP 402 CO 0.01 -1.45 1.68 0.00 0.68 0.00 0.00 175.17 176.09 1ug9 h ALA 403 N 1.73 1.90 -0.02 2.11 0.00 -1.98 -0.20 119.26 122.79 1ug9 h ALA 403 Ca -0.51 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ug9 h ALA 403 Cb 1.29 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ug9 h ALA 403 CO 0.58 -0.49 -0.00 0.78 0.00 0.00 0.00 179.25 180.12 1ug9 h GLY 404 N 0.39 0.04 1.82 0.00 0.00 -2.00 -1.96 103.07 101.36 1ug9 h GLY 404 Ca 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1ug9 h GLY 404 CO -0.57 0.03 0.05 -2.75 0.00 0.00 0.00 176.54 173.30 1ug9 h PHE 405 N -0.27 0.24 0.26 5.60 3.04 -1.57 -2.19 116.94 122.04 1ug9 h PHE 405 Ca 0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1ug9 h PHE 405 Cb 0.33 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1ug9 h PHE 405 CO 0.04 0.21 -0.12 -0.92 -2.02 0.00 0.00 178.31 175.49 1ug9 h TYR 406 N 0.24 -0.32 0.12 0.41 3.20 -0.90 1.00 116.97 120.72 1ug9 h TYR 406 Ca 0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ug9 h TYR 406 Cb 0.09 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1ug9 h TYR 406 CO 0.00 0.03 -0.06 0.00 -1.64 0.00 0.00 178.16 176.49 1ug9 h ARG 407 N -0.74 -0.16 0.00 1.82 2.47 -1.16 0.39 114.38 117.00 1ug9 h ARG 407 Ca -0.04 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ug9 h ARG 407 Cb 0.49 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1ug9 h ARG 407 CO 0.06 -0.07 -0.90 0.09 0.56 0.00 0.00 179.97 179.71 1ug9 n ASN 408 N -5.14 0.67 0.00 7.04 5.03 -0.84 -4.36 115.26 117.66 1ug9 n ASN 408 Ca -0.08 0.03 -0.00 0.00 0.87 0.00 0.00 54.58 55.40 1ug9 n ASN 408 Cb 0.11 0.52 -0.00 0.00 -1.02 0.00 0.00 39.78 39.38 1ug9 n ASN 408 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ug9 n GLU 409 N -2.17 0.01 0.19 3.52 4.71 -0.55 -4.75 120.64 121.60 1ug9 n GLU 409 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.02 1ug9 n GLU 409 Cb 0.46 -0.11 -0.08 0.00 -1.01 0.00 0.00 31.44 30.71 1ug9 n GLU 409 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ug9 h LEU 410 N -0.01 -0.36 -0.65 -4.62 7.12 -0.79 -3.17 115.31 112.82 1ug9 h LEU 410 Ca 0.00 -0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.09 1ug9 h LEU 410 Cb 0.01 0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 40.16 1ug9 h LEU 410 CO 0.00 -0.23 0.30 0.50 -0.13 0.00 0.00 178.44 178.88 1ug9 h LYS 411 N -0.45 0.51 -0.46 1.25 3.64 -0.42 -0.78 116.57 119.86 1ug9 h LYS 411 Ca -0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1ug9 h LYS 411 Cb 0.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ug9 h LYS 411 CO 0.07 0.33 0.16 -1.00 -2.27 0.00 0.00 179.45 176.74 1ug9 h PRO 412 N 0.52 0.66 -0.39 1.90 0.13 -1.76 0.49 132.00 133.56 1ug9 h PRO 412 Ca 0.32 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 65.31 1ug9 h PRO 412 Cb 0.35 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1ug9 h PRO 412 CO -0.27 0.57 0.06 0.00 -0.23 0.00 0.00 178.00 178.13 1ug9 h ALA 413 N 1.52 0.51 -0.36 -0.56 0.00 -1.22 -1.74 119.26 117.41 1ug9 h ALA 413 Ca 0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1ug9 h ALA 413 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ug9 h ALA 413 CO -0.01 0.22 -0.32 0.00 0.00 0.00 0.00 179.25 179.14 1ug9 h ALA 414 N 0.92 0.76 -0.56 0.00 0.00 -0.87 -2.79 119.26 116.71 1ug9 h ALA 414 Ca 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ug9 h ALA 414 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1ug9 h ALA 414 CO 0.01 0.65 0.17 -0.44 0.00 0.00 0.00 179.25 179.64 1ug9 h ASP 415 N 0.67 0.78 -0.27 0.00 3.32 -0.81 -1.94 116.42 118.16 1ug9 h ASP 415 Ca 0.07 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ug9 h ASP 415 Cb 0.86 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1ug9 h ASP 415 CO 0.08 0.74 0.16 0.22 -1.72 0.00 0.00 179.24 178.72 1ug9 h TYR 416 N 0.82 0.36 -0.73 4.55 3.20 -1.07 0.58 116.97 124.67 1ug9 h TYR 416 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ug9 h TYR 416 Cb 0.25 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1ug9 h TYR 416 CO 0.02 0.27 0.47 -0.07 -1.64 0.00 0.00 178.16 177.21 1ug9 h LEU 417 N 0.34 0.80 -0.48 2.82 4.07 -1.21 0.51 115.31 122.16 1ug9 h LEU 417 Ca 0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1ug9 h LEU 417 Cb 0.01 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1ug9 h LEU 417 CO -0.02 0.57 0.18 0.58 -1.08 0.00 0.00 178.44 178.67 1ug9 h VAL 418 N 0.95 1.21 -0.26 1.22 2.07 -0.95 -2.79 116.25 117.71 1ug9 h VAL 418 Ca 0.28 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 1ug9 h VAL 418 Cb -0.04 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ug9 h VAL 418 CO -0.09 0.25 -0.40 0.00 0.02 0.00 0.00 177.57 177.35 1ug9 h ALA 419 N 1.03 0.82 0.00 1.67 0.00 -0.33 -3.13 119.26 119.31 1ug9 h ALA 419 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ug9 h ALA 419 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ug9 h ALA 419 CO -0.01 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1ug9 h ALA 420 N 1.06 1.10 0.00 0.00 0.00 0.24 -3.49 119.26 118.17 1ug9 h ALA 420 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ug9 h ALA 420 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ug9 h ALA 420 CO 0.08 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1ug9 n GLY 421 N -0.52 -1.53 0.25 0.00 0.00 -1.07 -4.51 105.19 97.81 1ug9 n GLY 421 Ca -0.01 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.62 1ug9 n GLY 421 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug9 h PRO 422 N 0.00 0.00 -6.30 1.61 0.13 -1.91 -3.45 132.00 122.08 1ug9 h PRO 422 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1ug9 h PRO 422 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1ug9 h PRO 422 CO 0.00 0.09 0.18 0.15 -0.23 0.00 0.00 178.00 178.19 1ug9 s LYS 423 N -3.66 4.51 -0.14 0.86 1.02 -1.26 -4.72 119.74 116.36 1ug9 s LYS 423 Ca 0.01 1.10 -0.06 0.00 0.02 0.00 0.00 55.97 57.04 1ug9 s LYS 423 Cb 0.09 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1ug9 s LYS 423 CO 0.58 0.23 0.08 -0.08 -0.92 0.00 0.00 175.35 175.24 1ug9 s THR 424 N 0.10 4.94 0.33 2.17 -1.32 -0.60 -4.85 115.64 116.41 1ug9 s THR 424 Ca 0.40 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.94 1ug9 s THR 424 Cb -0.20 -3.16 0.12 0.00 -1.51 0.00 0.00 72.50 67.74 1ug9 s THR 424 CO 0.23 0.55 1.82 1.55 -2.21 0.00 0.00 174.62 176.57 1ug9 h PRO 425 N 5.68 0.40 -3.86 7.08 0.13 -1.88 0.71 132.00 140.26 1ug9 h PRO 425 Ca -0.47 -0.12 -0.29 0.00 -0.87 0.00 0.00 66.00 64.26 1ug9 h PRO 425 Cb 1.19 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 1ug9 h PRO 425 CO 0.62 0.55 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.56 1ug9 s GLN 426 N -4.68 0.17 0.18 0.86 -0.21 -0.93 -1.57 119.66 113.48 1ug9 s GLN 426 Ca -0.06 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.30 1ug9 s GLN 426 Cb 0.15 -0.23 0.03 0.00 1.00 0.00 0.00 33.01 33.96 1ug9 s GLN 426 CO 0.76 -0.01 0.24 -0.85 -2.12 0.00 0.00 175.29 173.31 1ug9 n GLU 427 N 3.36 0.46 0.31 2.91 -0.00 -0.85 -4.15 120.64 122.69 1ug9 n GLU 427 Ca -0.17 -0.67 0.18 0.00 -0.00 0.00 0.00 57.16 56.51 1ug9 n GLU 427 Cb 0.57 -0.16 1.03 0.00 -0.00 0.00 0.00 31.44 32.88 1ug9 n GLU 427 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1ug9 h ARG 428 N 0.00 0.00 -0.05 3.44 0.11 -1.97 0.84 114.38 116.75 1ug9 h ARG 428 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1ug9 h ARG 428 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1ug9 h ARG 428 CO 0.09 0.01 0.00 0.91 0.10 0.00 0.00 179.97 181.08 1ug9 n TRP 429 N -3.48 0.05 -3.67 4.08 5.03 -1.26 -4.94 117.44 113.25 1ug9 n TRP 429 Ca -0.03 -0.03 -0.24 0.00 3.03 0.00 0.00 57.50 60.24 1ug9 n TRP 429 Cb 0.09 0.00 0.06 0.00 -1.03 0.00 0.00 31.31 30.43 1ug9 n TRP 429 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1ug9 n GLU 430 N -0.18 -6.39 0.00 -0.99 1.02 0.29 -4.92 120.64 109.46 1ug9 n GLU 430 Ca 0.19 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1ug9 n GLU 430 Cb 0.25 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.05 1ug9 n GLU 430 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ug9 n GLU 431 N -4.59 0.00 -4.30 3.49 1.02 -1.26 -4.94 120.64 110.06 1ug9 n GLU 431 Ca -0.11 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 1ug9 n GLU 431 Cb 0.60 -0.56 -0.10 0.00 -0.02 0.00 0.00 31.44 31.36 1ug9 n GLU 431 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1ug9 s THR 432 N -1.90 0.60 0.48 2.62 -4.23 -1.26 -4.98 115.64 106.97 1ug9 s THR 432 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1ug9 s THR 432 Cb 0.00 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1ug9 s THR 432 CO 0.00 -0.11 0.01 -0.83 -0.54 0.00 0.00 174.62 173.15 1ug9 s GLY 433 N -3.28 2.86 0.00 3.99 0.00 -0.61 -2.01 107.32 108.27 1ug9 s GLY 433 Ca 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1ug9 s GLY 433 CO 0.11 -2.17 0.00 0.61 0.00 0.00 0.00 173.10 171.66 1ug9 n GLY 434 N -1.18 0.70 3.57 0.20 0.00 0.24 -4.64 105.19 104.08 1ug9 n GLY 434 Ca -0.15 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1ug9 n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ug9 s TYR 435 N -1.10 2.41 -0.20 1.61 1.51 0.13 -1.56 117.35 120.15 1ug9 s TYR 435 Ca 0.00 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1ug9 s TYR 435 Cb 0.00 -4.55 -0.05 0.00 -0.11 0.00 0.00 41.96 37.25 1ug9 s TYR 435 CO 0.00 -1.86 0.16 0.45 -1.11 0.00 0.00 175.55 173.19 1ug9 s SER 436 N 3.52 6.22 0.09 2.29 0.15 -1.26 -2.01 113.70 122.70 1ug9 s SER 436 Ca 0.40 0.24 -0.21 0.00 0.70 0.00 0.00 55.95 57.08 1ug9 s SER 436 Cb -0.08 -2.11 -0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1ug9 s SER 436 CO 0.20 0.14 1.68 0.71 1.20 0.00 0.00 173.24 177.17 1ug9 h THR 437 N 4.75 1.10 0.03 6.45 1.35 -1.84 0.20 112.91 124.96 1ug9 h THR 437 Ca -0.40 -0.30 0.02 0.00 -0.55 0.00 0.00 66.41 65.19 1ug9 h THR 437 Cb 1.16 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 1ug9 h THR 437 CO 0.74 0.10 -0.20 -1.28 -0.25 0.00 0.00 175.52 174.63 1ug9 h SER 438 N 0.11 -0.57 0.12 5.36 0.87 -1.83 -2.31 113.55 115.29 1ug9 h SER 438 Ca 0.05 0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.44 1ug9 h SER 438 Cb 0.09 0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1ug9 h SER 438 CO -0.01 -0.27 -0.94 0.74 -0.53 0.00 0.00 176.83 175.83 1ug9 h THR 439 N -0.33 1.33 0.00 2.23 2.02 -1.87 -3.17 112.91 113.11 1ug9 h THR 439 Ca 0.05 -2.26 -0.03 0.00 0.77 0.00 0.00 66.41 64.94 1ug9 h THR 439 Cb 0.39 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1ug9 h THR 439 CO -0.16 0.69 -0.13 0.25 0.37 0.00 0.00 175.52 176.54 1ug9 h LEU 440 N 0.35 0.00 -0.41 2.58 5.85 -0.59 -0.53 115.31 122.57 1ug9 h LEU 440 Ca -0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1ug9 h LEU 440 Cb 1.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1ug9 h LEU 440 CO 0.18 0.13 0.10 0.00 -0.34 0.00 0.00 178.44 178.51 1ug9 h ALA 441 N 1.87 0.54 -0.04 1.25 0.00 -1.38 -1.26 119.26 120.24 1ug9 h ALA 441 Ca -0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1ug9 h ALA 441 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ug9 h ALA 441 CO 0.02 0.22 -0.70 0.66 0.00 0.00 0.00 179.25 179.44 1ug9 h SER 442 N 0.52 0.25 -0.28 0.00 4.64 -1.41 -2.39 113.55 114.88 1ug9 h SER 442 Ca 0.13 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1ug9 h SER 442 Cb 0.31 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1ug9 h SER 442 CO 0.00 0.87 0.11 1.56 -0.87 0.00 0.00 176.83 178.50 1ug9 h GLN 443 N 0.14 0.41 -0.12 4.77 4.20 -0.89 -0.22 115.11 123.40 1ug9 h GLN 443 Ca -0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1ug9 h GLN 443 Cb 1.25 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1ug9 h GLN 443 CO 0.11 0.45 0.02 0.82 -0.67 0.00 0.00 178.83 179.56 1ug9 h ILE 444 N 0.29 1.21 -0.45 2.54 2.04 -1.23 -1.58 117.51 120.34 1ug9 h ILE 444 Ca 0.09 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1ug9 h ILE 444 Cb 0.19 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1ug9 h ILE 444 CO -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 178.15 178.29 1ug9 h ALA 445 N 0.81 1.09 -0.46 1.87 0.00 -1.40 -0.64 119.26 120.53 1ug9 h ALA 445 Ca 0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1ug9 h ALA 445 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ug9 h ALA 445 CO 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 1ug9 h ALA 446 N 1.25 0.62 -0.26 0.00 0.00 -0.96 -1.43 119.26 118.48 1ug9 h ALA 446 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1ug9 h ALA 446 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ug9 h ALA 446 CO 0.03 0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 179.22 1ug9 h LEU 447 N 0.68 0.71 -0.68 0.00 3.38 -1.06 -0.84 115.31 117.50 1ug9 h LEU 447 Ca 0.12 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1ug9 h LEU 447 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ug9 h LEU 447 CO 0.03 1.05 -0.40 0.00 0.09 0.00 0.00 178.44 179.21 1ug9 h ALA 448 N 0.98 0.86 -0.28 1.53 0.00 -1.04 -1.13 119.26 120.18 1ug9 h ALA 448 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1ug9 h ALA 448 Cb 0.98 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ug9 h ALA 448 CO 0.09 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.66 1ug9 h ALA 449 N 1.10 0.41 -0.29 0.00 0.00 -1.15 -2.94 119.26 116.39 1ug9 h ALA 449 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ug9 h ALA 449 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ug9 h ALA 449 CO 0.08 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.90 1ug9 h ALA 450 N 0.69 1.66 -0.46 0.00 0.00 -0.95 -0.41 119.26 119.79 1ug9 h ALA 450 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ug9 h ALA 450 Cb 0.91 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ug9 h ALA 450 CO 0.08 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.66 1ug9 h ALA 451 N 1.72 0.61 -0.35 0.00 0.00 -1.07 0.16 119.26 120.33 1ug9 h ALA 451 Ca 0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ug9 h ALA 451 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ug9 h ALA 451 CO -0.01 0.34 -0.29 -0.44 0.00 0.00 0.00 179.25 178.85 1ug9 h ASP 452 N 0.63 0.78 -0.60 0.00 3.32 -1.19 0.86 116.42 120.21 1ug9 h ASP 452 Ca 0.14 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1ug9 h ASP 452 Cb 0.40 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ug9 h ASP 452 CO 0.01 1.02 0.06 0.40 -1.72 0.00 0.00 179.24 179.01 1ug9 h ILE 453 N 0.64 1.26 -0.33 0.35 2.04 -0.83 -0.59 117.51 120.06 1ug9 h ILE 453 Ca 0.08 -1.07 -0.16 0.00 1.00 0.00 0.00 64.86 64.71 1ug9 h ILE 453 Cb 0.82 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1ug9 h ILE 453 CO 0.07 0.39 -0.40 0.00 0.00 0.00 0.00 178.15 178.21 1ug9 h ALA 454 N 1.08 0.49 -0.84 1.87 0.00 -0.43 -2.77 119.26 118.67 1ug9 h ALA 454 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ug9 h ALA 454 Cb 0.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ug9 h ALA 454 CO 0.02 0.61 0.39 0.78 0.00 0.00 0.00 179.25 181.04 1ug9 h GLY 455 N 0.64 1.31 1.43 0.00 0.00 -0.61 -0.97 103.07 104.88 1ug9 h GLY 455 Ca 0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1ug9 h GLY 455 CO 0.10 0.63 0.34 1.70 0.00 0.00 0.00 176.54 179.31 1ug9 h LYS 456 N 1.21 0.76 -0.62 4.80 3.64 -1.02 -1.80 116.57 123.54 1ug9 h LYS 456 Ca 0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ug9 h LYS 456 Cb 0.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ug9 h LYS 456 CO -0.03 0.53 0.00 0.09 -2.27 0.00 0.00 179.45 177.77 1ug9 n ASN 457 N -4.42 2.02 -0.06 4.20 3.02 -0.82 -4.90 115.26 114.31 1ug9 n ASN 457 Ca 0.05 -2.18 -0.01 0.00 -0.03 0.00 0.00 54.58 52.42 1ug9 n ASN 457 Cb 0.07 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1ug9 n ASN 457 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ug9 n GLY 458 N 0.47 0.36 3.08 7.41 0.00 -0.68 -4.94 105.19 110.90 1ug9 n GLY 458 Ca 0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ug9 n GLY 458 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ug9 n ASP 459 N -0.32 6.05 0.04 1.61 -0.08 -0.43 -4.84 116.55 118.57 1ug9 n ASP 459 Ca -0.01 -3.28 0.04 0.00 -1.51 0.00 0.00 54.79 50.03 1ug9 n ASP 459 Cb 0.21 -1.33 0.45 0.00 2.34 0.00 0.00 41.12 42.79 1ug9 n ASP 459 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ug9 h ALA 460 N 5.80 1.73 -0.02 -1.67 0.00 -1.87 -2.13 119.26 121.09 1ug9 h ALA 460 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ug9 h ALA 460 Cb 0.68 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ug9 h ALA 460 CO 1.29 0.25 0.01 0.78 0.00 0.00 0.00 179.25 181.57 1ug9 h GLY 461 N 0.50 0.03 1.88 0.00 0.00 -1.91 -1.89 103.07 101.69 1ug9 h GLY 461 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 1ug9 h GLY 461 CO -0.03 0.01 -0.44 1.76 0.00 0.00 0.00 176.54 177.85 1ug9 h SER 462 N -0.14 0.14 -0.49 0.19 0.02 -1.88 -2.73 113.55 108.65 1ug9 h SER 462 Ca 0.01 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1ug9 h SER 462 Cb 0.18 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1ug9 h SER 462 CO -0.00 0.57 0.23 0.00 -1.14 0.00 0.00 176.83 176.48 1ug9 h ALA 463 N 1.44 0.63 -0.62 3.77 0.00 -1.21 -1.63 119.26 121.64 1ug9 h ALA 463 Ca 0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1ug9 h ALA 463 Cb 0.83 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ug9 h ALA 463 CO 0.06 0.21 0.10 0.00 0.00 0.00 0.00 179.25 179.62 1ug9 h ALA 464 N 1.07 0.82 -0.49 0.00 0.00 -1.20 -0.01 119.26 119.46 1ug9 h ALA 464 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ug9 h ALA 464 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ug9 h ALA 464 CO -0.02 0.58 0.22 0.28 0.00 0.00 0.00 179.25 180.32 1ug9 h VAL 465 N 0.94 1.20 -0.21 0.00 2.07 -1.33 0.23 116.25 119.15 1ug9 h VAL 465 Ca 0.19 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1ug9 h VAL 465 Cb 0.43 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1ug9 h VAL 465 CO 0.01 0.22 -0.03 1.88 0.02 0.00 0.00 177.57 179.68 1ug9 h TYR 466 N 0.65 0.42 -0.16 1.57 0.99 -1.12 -1.82 116.97 117.50 1ug9 h TYR 466 Ca 0.17 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1ug9 h TYR 466 Cb 0.14 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 37.76 1ug9 h TYR 466 CO -0.00 0.60 -0.11 -0.09 -0.00 0.00 0.00 178.16 178.56 1ug9 h ARG 467 N 0.12 0.36 -0.41 4.88 2.43 -0.92 -0.87 114.38 119.96 1ug9 h ARG 467 Ca 0.05 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1ug9 h ARG 467 Cb 0.45 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1ug9 h ARG 467 CO 0.02 0.70 0.17 0.00 -1.51 0.00 0.00 179.97 179.34 1ug9 h ALA 468 N 0.65 0.50 0.10 2.80 0.00 -0.59 0.32 119.26 123.04 1ug9 h ALA 468 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ug9 h ALA 468 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ug9 h ALA 468 CO 0.03 -0.21 -0.05 1.15 0.00 0.00 0.00 179.25 180.17 1ug9 h THR 469 N 0.34 0.97 -0.31 0.00 2.02 -1.31 -0.60 112.91 114.02 1ug9 h THR 469 Ca 0.19 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1ug9 h THR 469 Cb 0.15 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1ug9 h THR 469 CO -0.17 0.06 0.07 0.00 0.37 0.00 0.00 175.52 175.85 1ug9 h ALA 470 N 0.63 0.33 -0.39 6.16 0.00 -0.78 -1.08 119.26 124.14 1ug9 h ALA 470 Ca -0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ug9 h ALA 470 Cb 0.21 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ug9 h ALA 470 CO 0.02 -0.33 0.16 -0.44 0.00 0.00 0.00 179.25 178.66 1ug9 h ASP 471 N 0.19 0.21 -0.84 0.00 3.45 -0.25 0.66 116.42 119.84 1ug9 h ASP 471 Ca 0.14 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.64 1ug9 h ASP 471 Cb 0.15 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.87 1ug9 h ASP 471 CO -0.18 0.16 0.55 -0.08 -1.57 0.00 0.00 179.24 178.12 1ug9 h GLU 472 N 0.34 1.11 0.01 3.56 4.57 -0.55 -1.04 114.58 122.58 1ug9 h GLU 472 Ca 0.17 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.07 1ug9 h GLU 472 Cb 0.12 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1ug9 h GLU 472 CO -0.15 0.74 -0.92 -1.49 -1.18 0.00 0.00 179.01 176.02 1ug9 h TRP 473 N 1.14 0.40 -0.59 0.92 6.55 -0.71 -3.10 115.95 120.56 1ug9 h TRP 473 Ca 0.31 -0.22 -0.09 0.00 0.95 0.00 0.00 58.89 59.84 1ug9 h TRP 473 Cb -0.12 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.11 1ug9 h TRP 473 CO 0.00 1.05 0.03 0.37 -1.05 0.00 0.00 178.44 178.84 1ug9 h GLN 474 N 0.15 1.01 -0.02 0.49 -0.00 -0.41 -2.31 115.11 114.01 1ug9 h GLN 474 Ca -0.06 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1ug9 h GLN 474 Cb 1.55 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.93 1ug9 h GLN 474 CO 0.15 0.97 0.00 2.89 0.00 0.00 0.00 178.83 182.84 1ug9 n ARG 475 N -4.19 1.19 0.00 1.69 1.85 -0.44 -3.33 116.66 113.43 1ug9 n ARG 475 Ca 0.03 -0.29 0.04 0.00 -1.00 0.00 0.00 57.85 56.63 1ug9 n ARG 475 Cb 0.32 -1.42 0.01 0.00 -1.05 0.00 0.00 32.46 30.32 1ug9 n ARG 475 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ug9 n SER 476 N -0.59 1.31 -0.23 2.89 7.64 -0.90 -4.70 113.62 119.03 1ug9 n SER 476 Ca 0.19 -1.15 0.04 0.00 1.01 0.00 0.00 58.87 58.96 1ug9 n SER 476 Cb 0.16 0.24 0.15 0.00 -1.01 0.00 0.00 64.21 63.75 1ug9 n SER 476 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ug9 h THR 477 N 1.12 0.48 -0.06 0.44 2.02 -1.47 -1.02 112.91 114.42 1ug9 h THR 477 Ca 0.00 -0.06 -0.25 0.00 0.77 0.00 0.00 66.41 66.87 1ug9 h THR 477 Cb 0.27 0.28 0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1ug9 h THR 477 CO 0.00 0.03 -0.94 -0.33 0.37 0.00 0.00 175.52 174.66 1ug9 h GLU 478 N 0.18 0.71 -0.88 6.66 3.07 -1.85 -2.52 114.58 119.95 1ug9 h GLU 478 Ca 0.38 -0.69 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1ug9 h GLU 478 Cb 0.64 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 1ug9 h GLU 478 CO -0.54 1.28 0.55 -0.22 -1.40 0.00 0.00 179.01 178.68 1ug9 h LYS 479 N 0.43 1.18 0.12 2.33 1.63 -1.72 -1.95 116.57 118.59 1ug9 h LYS 479 Ca -0.10 -0.09 -0.31 0.00 -0.85 0.00 0.00 60.65 59.31 1ug9 h LYS 479 Cb 1.58 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1ug9 h LYS 479 CO 0.18 0.80 -1.52 -1.49 -3.45 0.00 0.00 179.45 173.98 1ug9 h TRP 480 N 1.20 0.46 0.00 1.91 6.55 -1.26 -3.38 115.95 121.44 1ug9 h TRP 480 Ca 0.32 -0.34 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1ug9 h TRP 480 Cb -0.09 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1ug9 h TRP 480 CO 0.00 1.38 0.00 -1.33 -1.05 0.00 0.00 178.44 177.45 1ug9 n MET 481 N -3.46 -0.41 -3.37 0.49 2.81 -0.95 -3.62 117.12 108.61 1ug9 n MET 481 Ca -0.16 -0.32 -0.44 0.00 -1.81 0.00 0.00 57.70 54.97 1ug9 n MET 481 Cb 1.04 -0.81 -0.08 0.00 -0.71 0.00 0.00 33.22 32.67 1ug9 n MET 481 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1ug9 s PHE 482 N -0.03 3.22 0.50 2.03 2.19 -0.73 -1.15 117.98 124.00 1ug9 s PHE 482 Ca 0.00 -0.80 -0.15 0.00 0.33 0.00 0.00 56.93 56.31 1ug9 s PHE 482 Cb 0.00 -3.12 -0.07 0.00 -1.31 0.00 0.00 43.02 38.52 1ug9 s PHE 482 CO 0.00 -0.79 0.95 -0.08 1.83 0.00 0.00 175.22 177.13 1ug9 s THR 483 N 1.79 4.59 0.00 0.12 -1.32 -0.31 -4.79 115.64 115.72 1ug9 s THR 483 Ca 0.06 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.63 1ug9 s THR 483 Cb -0.23 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 1ug9 s THR 483 CO 0.08 -0.68 0.35 0.41 -2.21 0.00 0.00 174.62 172.56 1ug9 n THR 484 N -1.59 0.00 -2.27 5.08 -1.04 -1.17 -2.21 114.28 111.07 1ug9 n THR 484 Ca 0.06 -0.40 0.01 0.00 -2.04 0.00 0.00 64.05 61.69 1ug9 n THR 484 Cb 0.54 1.18 0.08 0.00 -1.82 0.00 0.00 70.33 70.31 1ug9 n THR 484 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ug9 n ASN 485 N -0.10 1.63 -4.79 8.00 6.94 -1.00 -4.47 115.26 121.47 1ug9 n ASN 485 Ca 0.00 -2.67 -0.35 0.00 -0.02 0.00 0.00 54.58 51.55 1ug9 n ASN 485 Cb 0.05 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 1ug9 n ASN 485 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ug9 s GLY 486 N -2.76 2.58 0.00 4.83 0.00 -0.80 -4.93 107.32 106.24 1ug9 s GLY 486 Ca 0.35 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1ug9 s GLY 486 CO -0.10 1.03 1.03 -1.55 0.00 0.00 0.00 173.10 173.51 1ug9 n PRO 487 N -0.86 0.86 -4.07 2.90 -0.04 -1.26 -3.98 135.00 128.54 1ug9 n PRO 487 Ca 0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1ug9 n PRO 487 Cb 0.52 -1.07 -0.16 0.00 -0.04 0.00 0.00 33.50 32.75 1ug9 n PRO 487 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ug9 s VAL 488 N 0.17 0.35 0.00 0.52 1.01 -1.26 -5.04 120.40 116.16 1ug9 s VAL 488 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1ug9 s VAL 488 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1ug9 s VAL 488 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1ug9 n GLY 489 N 3.70 2.91 0.00 4.51 0.00 -1.26 -0.47 105.19 114.58 1ug9 n GLY 489 Ca -0.22 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1ug9 n GLY 489 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ug9 n ASP 490 N 3.32 0.00 0.00 1.61 5.68 -1.26 -4.89 116.55 121.01 1ug9 n ASP 490 Ca 0.00 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 1ug9 n ASP 490 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1ug9 n ASP 490 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ug9 n GLY 491 N 0.92 2.07 3.34 6.12 0.00 0.37 -4.90 105.19 113.11 1ug9 n GLY 491 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1ug9 n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ug9 s LYS 492 N -0.01 2.94 -0.24 1.61 1.02 -1.26 -1.91 119.74 121.91 1ug9 s LYS 492 Ca 0.00 -0.96 -0.37 0.00 0.02 0.00 0.00 55.97 54.65 1ug9 s LYS 492 Cb 0.00 -3.46 0.16 0.00 -0.52 0.00 0.00 37.83 34.01 1ug9 s LYS 492 CO 0.00 -0.54 1.41 1.52 -0.92 0.00 0.00 175.35 176.82 1ug9 s TYR 493 N 1.49 -0.00 0.15 3.18 1.13 -0.94 -4.36 117.35 118.00 1ug9 s TYR 493 Ca 0.01 0.00 -0.30 0.00 -1.41 0.00 0.00 57.07 55.38 1ug9 s TYR 493 Cb -0.18 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.11 1ug9 s TYR 493 CO 0.03 -0.01 1.07 0.71 -2.51 0.00 0.00 175.55 174.85 1ug9 s TYR 494 N -2.01 3.63 0.67 -3.49 1.51 -1.26 -1.16 117.35 115.23 1ug9 s TYR 494 Ca 0.13 1.62 -0.01 0.00 -1.01 0.00 0.00 57.07 57.80 1ug9 s TYR 494 Cb 0.01 -3.23 0.09 0.00 -0.11 0.00 0.00 41.96 38.72 1ug9 s TYR 494 CO -0.03 -0.47 0.93 -0.48 -1.11 0.00 0.00 175.55 174.39 1ug9 s LEU 495 N -0.10 3.05 0.01 -1.29 0.05 -0.30 -4.62 118.68 115.49 1ug9 s LEU 495 Ca 0.50 -0.16 -0.23 0.00 0.05 0.00 0.00 54.13 54.29 1ug9 s LEU 495 Cb -0.28 -2.38 -0.17 0.00 -2.05 0.00 0.00 46.19 41.31 1ug9 s LEU 495 CO 0.33 -1.61 1.31 -0.09 -0.55 0.00 0.00 176.35 175.74 1ug9 h ARG 496 N -0.35 0.21 -1.78 1.48 2.43 -1.46 -3.44 114.38 111.47 1ug9 h ARG 496 Ca -0.39 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1ug9 h ARG 496 Cb 1.28 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.60 1ug9 h ARG 496 CO 0.46 0.63 0.32 -1.50 -1.51 0.00 0.00 179.97 178.38 1ug9 s ILE 497 N -4.29 0.00 -0.04 1.20 2.07 -1.26 -3.39 121.20 115.50 1ug9 s ILE 497 Ca -0.15 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.16 1ug9 s ILE 497 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 1ug9 s ILE 497 CO 0.72 0.00 -0.25 -0.55 -1.91 0.00 0.00 174.94 172.95 1ug9 s SER 498 N -0.03 3.08 0.02 4.50 0.15 -0.85 -4.84 113.70 115.72 1ug9 s SER 498 Ca -0.00 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 1ug9 s SER 498 Cb -0.04 -0.55 -0.34 0.00 -1.71 0.00 0.00 66.02 63.39 1ug9 s SER 498 CO -0.01 0.29 0.95 0.00 1.20 0.00 0.00 173.24 175.68 1ug9 h ALA 499 N 5.71 -0.06 0.00 5.45 0.00 -1.89 0.37 119.26 128.84 1ug9 h ALA 499 Ca -0.39 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 53.55 1ug9 h ALA 499 Cb 1.14 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1ug9 h ALA 499 CO 0.47 0.81 -1.78 0.25 0.00 0.00 0.00 179.25 179.00 1ug9 n THR 500 N -3.66 0.33 -0.37 0.00 -2.24 -1.26 -4.71 114.28 102.38 1ug9 n THR 500 Ca -0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1ug9 n THR 500 Cb 1.09 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1ug9 n THR 500 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug9 n GLY 501 N 1.29 0.81 3.04 3.38 0.00 -1.26 -5.01 105.19 107.44 1ug9 n GLY 501 Ca -0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1ug9 n GLY 501 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ug9 s ASN 502 N -2.04 4.84 0.24 1.61 3.04 -1.26 -4.12 114.94 117.25 1ug9 s ASN 502 Ca 0.00 -2.62 0.14 0.00 0.04 0.00 0.00 52.86 50.42 1ug9 s ASN 502 Cb 0.00 -1.73 0.79 0.00 -1.54 0.00 0.00 41.25 38.76 1ug9 s ASN 502 CO 0.00 -0.36 1.41 -0.81 -3.04 0.00 0.00 177.10 174.30 1ug9 n PRO 503 N 3.71 0.09 0.00 0.43 -0.04 -1.24 -1.73 135.00 136.23 1ug9 n PRO 503 Ca 0.04 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1ug9 n PRO 503 Cb 0.37 -1.89 0.08 0.00 -0.04 0.00 0.00 33.50 32.02 1ug9 n PRO 503 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ug9 n ASN 504 N -2.01 2.58 0.25 3.54 5.03 -1.26 -4.47 115.26 118.92 1ug9 n ASN 504 Ca -0.01 -1.79 0.16 0.00 0.87 0.00 0.00 54.58 53.81 1ug9 n ASN 504 Cb 0.10 0.01 0.58 0.00 -1.02 0.00 0.00 39.78 39.45 1ug9 n ASN 504 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1ug9 h ASP 505 N 3.72 0.00 -1.62 6.41 3.04 -1.77 -3.47 116.42 122.73 1ug9 h ASP 505 Ca 0.00 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.53 1ug9 h ASP 505 Cb 0.79 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.06 1ug9 h ASP 505 CO 0.00 0.00 -0.31 0.61 -2.04 0.00 0.00 179.24 177.50 1ug9 n GLY 506 N 0.24 0.10 3.75 7.15 0.00 -1.26 -4.97 105.19 110.20 1ug9 n GLY 506 Ca 0.01 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1ug9 n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 507 N -2.61 2.79 0.37 4.61 0.00 -1.26 -4.59 121.76 121.07 1ug9 s ALA 507 Ca 0.00 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.32 1ug9 s ALA 507 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1ug9 s ALA 507 CO 0.00 -1.33 0.19 0.95 0.00 0.00 0.00 175.76 175.57 1ug9 s THR 508 N -1.34 2.84 0.16 0.00 -4.23 -1.26 -0.02 115.64 111.79 1ug9 s THR 508 Ca 0.72 -1.64 -0.25 0.00 -1.18 0.00 0.00 61.69 59.35 1ug9 s THR 508 Cb -0.39 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.52 1ug9 s THR 508 CO 0.46 -0.12 0.85 0.00 -0.54 0.00 0.00 174.62 175.27 1ug9 s ARG 509 N -3.90 1.28 -0.03 3.99 1.70 -1.11 -4.90 118.95 115.97 1ug9 s ARG 509 Ca 0.40 -0.65 -0.19 0.00 -0.47 0.00 0.00 55.73 54.82 1ug9 s ARG 509 Cb -0.01 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1ug9 s ARG 509 CO 0.23 -0.58 0.52 0.34 -1.08 0.00 0.00 175.30 174.74 1ug9 s ASP 510 N -2.84 6.86 -0.20 -2.89 2.15 -1.26 -2.10 116.67 116.39 1ug9 s ASP 510 Ca 0.09 1.02 0.15 0.00 0.43 0.00 0.00 52.55 54.25 1ug9 s ASP 510 Cb -0.02 -2.32 0.70 0.00 -0.30 0.00 0.00 42.92 40.98 1ug9 s ASP 510 CO -0.00 0.13 1.62 0.79 -0.17 0.00 0.00 175.17 177.53 1ug9 n TRP 511 N 2.77 1.61 -1.39 -5.34 7.02 -0.61 -4.97 117.44 116.52 1ug9 n TRP 511 Ca -0.09 -0.77 0.19 0.00 -1.02 0.00 0.00 57.50 55.81 1ug9 n TRP 511 Cb 0.51 -0.42 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 1ug9 n TRP 511 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ug9 n GLY 512 N 0.26 -1.91 2.31 6.99 0.00 -1.26 -4.72 105.19 106.86 1ug9 n GLY 512 Ca 0.25 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1ug9 n GLY 512 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug9 n ASN 513 N -4.32 -4.50 0.00 1.61 3.02 -1.26 -0.91 115.26 108.91 1ug9 n ASN 513 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1ug9 n ASN 513 Cb 0.66 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1ug9 n ASN 513 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ug9 n GLY 514 N -0.40 0.73 0.12 7.41 0.00 -1.26 -2.47 105.19 109.32 1ug9 n GLY 514 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1ug9 n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 h ALA 515 N 0.00 0.85 0.00 4.61 0.00 -1.28 -3.49 119.26 119.95 1ug9 h ALA 515 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ug9 h ALA 515 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ug9 h ALA 515 CO 0.00 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1ug9 n GLY 516 N 0.49 -1.75 3.77 0.00 0.00 -1.26 -4.86 105.19 101.57 1ug9 n GLY 516 Ca -0.01 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1ug9 n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ug9 s VAL 517 N 0.00 4.67 -0.12 1.61 1.01 -1.26 -1.58 120.40 124.74 1ug9 s VAL 517 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.26 1ug9 s VAL 517 Cb 0.00 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1ug9 s VAL 517 CO 0.00 0.45 0.54 -1.00 0.00 0.00 0.00 175.10 175.09 1ug9 s HIS 518 N -0.57 -0.53 0.40 5.22 3.76 -0.89 -4.97 115.29 117.71 1ug9 s HIS 518 Ca 0.34 1.11 -0.25 0.00 -0.15 0.00 0.00 55.06 56.11 1ug9 s HIS 518 Cb -0.21 0.24 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 1ug9 s HIS 518 CO 0.22 -0.41 1.16 -1.25 -0.85 0.00 0.00 174.74 173.61 1ug9 s PRO 519 N -0.51 4.06 0.60 8.40 0.04 -1.26 -2.73 135.00 143.59 1ug9 s PRO 519 Ca -0.06 1.80 0.29 0.00 0.04 0.00 0.00 61.00 63.07 1ug9 s PRO 519 Cb -0.03 -2.66 1.70 0.00 0.04 0.00 0.00 34.50 33.55 1ug9 s PRO 519 CO 0.04 -0.30 2.11 0.93 0.04 0.00 0.00 177.00 179.82 1ug9 h GLU 520 N 2.62 0.00 0.00 4.56 5.08 -0.69 0.32 114.58 126.47 1ug9 h GLU 520 Ca -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1ug9 h GLU 520 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ug9 h GLU 520 CO 0.62 0.00 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.58 1ug9 h ASN 521 N 0.00 0.00 0.28 1.42 -0.73 -1.85 -2.71 115.58 111.99 1ug9 h ASN 521 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1ug9 h ASN 521 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1ug9 h ASN 521 CO -0.00 0.08 -0.56 0.00 -0.37 0.00 0.00 177.43 176.58 1ug9 n ALA 522 N -2.46 3.73 -2.66 1.57 0.00 0.11 -4.35 120.51 116.45 1ug9 n ALA 522 Ca -0.03 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1ug9 n ALA 522 Cb 0.16 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 1ug9 n ALA 522 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ug9 s VAL 523 N -2.84 5.03 0.04 0.00 1.01 -1.02 -4.84 120.40 117.78 1ug9 s VAL 523 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1ug9 s VAL 523 Cb 0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1ug9 s VAL 523 CO 0.69 0.03 0.24 -0.76 0.00 0.00 0.00 175.10 175.30 1ug9 s LEU 524 N 1.68 4.35 -0.24 3.92 2.01 -1.26 -1.37 118.68 127.77 1ug9 s LEU 524 Ca 0.06 0.41 -0.14 0.00 0.01 0.00 0.00 54.13 54.47 1ug9 s LEU 524 Cb -0.17 -2.85 0.07 0.00 0.01 0.00 0.00 46.19 43.25 1ug9 s LEU 524 CO 0.09 0.20 0.60 -0.62 1.01 0.00 0.00 176.35 177.62 1ug9 s ASP 525 N -2.14 -0.81 0.00 2.29 -1.08 -1.26 -1.86 116.67 111.81 1ug9 s ASP 525 Ca 0.32 1.32 0.12 0.00 -0.52 0.00 0.00 52.55 53.79 1ug9 s ASP 525 Cb -0.13 1.21 0.69 0.00 -1.46 0.00 0.00 42.92 43.23 1ug9 s ASP 525 CO 0.22 -0.22 1.22 0.61 0.52 0.00 0.00 175.17 177.52 1ug9 n GLY 526 N 4.33 -0.50 0.16 2.66 0.00 -1.26 -3.71 105.19 106.87 1ug9 n GLY 526 Ca -0.21 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1ug9 n GLY 526 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 527 N -0.24 -0.71 0.25 -0.02 0.00 -1.26 -1.08 105.19 102.13 1ug9 n GLY 527 Ca 0.08 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1ug9 n GLY 527 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1ug9 h PHE 528 N 0.00 0.00 0.00 1.61 -0.00 -1.87 -2.41 116.94 114.27 1ug9 h PHE 528 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1ug9 h PHE 528 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 1ug9 h PHE 528 CO 0.00 0.14 0.00 -0.07 -0.00 0.00 0.00 178.31 178.38 1ug9 h LEU 529 N 0.00 0.00 -2.01 2.10 3.38 -1.44 -0.89 115.31 116.46 1ug9 h LEU 529 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ug9 h LEU 529 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ug9 h LEU 529 CO 0.02 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.12 1ug9 h GLU 530 N 0.00 0.00 -0.62 1.13 4.39 -1.64 -2.53 114.58 115.31 1ug9 h GLU 530 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1ug9 h GLU 530 Cb 0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1ug9 h GLU 530 CO 0.00 0.09 0.38 0.74 -1.16 0.00 0.00 179.01 179.06 1ug9 h PHE 531 N 0.00 0.71 0.00 4.33 0.05 -1.37 -0.14 116.94 120.52 1ug9 h PHE 531 Ca -0.00 0.02 -0.19 0.00 3.82 0.00 0.00 57.97 61.62 1ug9 h PHE 531 Cb 0.29 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.98 1ug9 h PHE 531 CO 0.00 0.40 -1.19 -0.39 -0.18 0.00 0.00 178.31 176.95 1ug9 h VAL 532 N 0.74 0.92 -0.47 -0.55 -1.51 -1.68 0.20 116.25 113.91 1ug9 h VAL 532 Ca 0.25 -2.52 -0.04 0.00 -1.23 0.00 0.00 66.70 63.16 1ug9 h VAL 532 Cb 0.04 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.56 1ug9 h VAL 532 CO -0.11 0.53 0.11 -0.09 -1.23 0.00 0.00 177.57 176.78 1ug9 h ARG 533 N 0.00 0.71 -0.63 5.19 2.43 -1.08 -2.73 114.38 118.26 1ug9 h ARG 533 Ca -0.12 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1ug9 h ARG 533 Cb 1.68 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1ug9 h ARG 533 CO 0.08 0.65 0.00 1.28 -1.51 0.00 0.00 179.97 180.47 1ug9 n LEU 534 N -4.30 4.63 -0.10 3.80 4.77 -0.10 -4.24 117.00 121.47 1ug9 n LEU 534 Ca 0.03 -2.42 -0.01 0.00 -0.03 0.00 0.00 56.01 53.58 1ug9 n LEU 534 Cb 0.21 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1ug9 n LEU 534 CO 0.39 0.82 -0.01 0.61 -1.33 0.00 0.00 177.39 177.87 1ug9 n GLY 535 N 1.10 0.44 0.18 -0.72 0.00 -1.03 -4.45 105.19 100.70 1ug9 n GLY 535 Ca 0.25 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1ug9 n GLY 535 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ug9 h VAL 536 N 0.00 0.68 -4.07 1.61 2.07 -0.92 -3.25 116.25 112.38 1ug9 h VAL 536 Ca -0.03 -1.62 -0.16 0.00 0.82 0.00 0.00 66.70 65.71 1ug9 h VAL 536 Cb 0.36 2.08 -0.18 0.00 -1.52 0.00 0.00 31.29 32.03 1ug9 h VAL 536 CO 0.04 0.34 -0.69 -0.54 0.02 0.00 0.00 177.57 176.73 1ug9 s LYS 537 N -3.32 0.48 0.60 1.57 -0.14 -0.47 -4.69 119.74 113.77 1ug9 s LYS 537 Ca 0.02 -0.91 -0.19 0.00 -1.36 0.00 0.00 55.97 53.53 1ug9 s LYS 537 Cb 0.09 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 1ug9 s LYS 537 CO 0.69 -0.06 1.23 0.00 -0.76 0.00 0.00 175.35 176.44 1ug9 s ALA 538 N -2.58 2.52 0.45 5.17 0.00 -1.26 -4.28 121.76 121.79 1ug9 s ALA 538 Ca -0.04 1.05 0.18 0.00 0.00 0.00 0.00 51.96 53.15 1ug9 s ALA 538 Cb -0.02 -3.47 1.14 0.00 0.00 0.00 0.00 23.12 20.77 1ug9 s ALA 538 CO -0.05 -1.24 1.93 -1.35 0.00 0.00 0.00 175.76 175.05 1ug9 h PRO 539 N 0.85 0.30 -0.79 0.00 0.11 -1.88 -0.45 132.00 130.15 1ug9 h PRO 539 Ca -0.51 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 1ug9 h PRO 539 Cb 1.31 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 1ug9 h PRO 539 CO 0.55 0.20 0.23 0.00 -0.21 0.00 0.00 178.00 178.77 1ug9 n ALA 540 N -2.56 4.31 -1.65 -0.75 0.00 -1.26 -4.87 120.51 113.73 1ug9 n ALA 540 Ca 0.14 -2.00 -0.50 0.00 0.00 0.00 0.00 53.44 51.08 1ug9 n ALA 540 Cb 0.57 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 1ug9 n ALA 540 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ug9 n ASP 541 N -0.06 2.50 -0.02 0.00 2.03 -0.18 -4.86 116.55 115.96 1ug9 n ASP 541 Ca 0.35 1.08 -0.01 0.00 0.52 0.00 0.00 54.79 56.73 1ug9 n ASP 541 Cb 1.25 -1.29 0.26 0.00 -0.72 0.00 0.00 41.12 40.62 1ug9 n ASP 541 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ug9 h PRO 542 N 6.12 0.57 -0.40 -0.67 0.13 -1.94 -1.61 132.00 134.20 1ug9 h PRO 542 Ca -0.47 -0.14 -0.06 0.00 -0.87 0.00 0.00 66.00 64.47 1ug9 h PRO 542 Cb 1.30 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ug9 h PRO 542 CO 0.87 0.62 0.02 1.88 -0.23 0.00 0.00 178.00 181.15 1ug9 h TYR 543 N 0.54 0.75 -0.10 1.56 0.05 -2.00 -1.17 116.97 116.60 1ug9 h TYR 543 Ca 0.11 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1ug9 h TYR 543 Cb 0.39 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1ug9 h TYR 543 CO 0.01 0.76 -0.19 0.28 -1.05 0.00 0.00 178.16 177.97 1ug9 h VAL 544 N 0.52 1.19 -0.31 -2.88 2.07 -1.90 -3.03 116.25 111.91 1ug9 h VAL 544 Ca 0.12 -0.86 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 1ug9 h VAL 544 Cb 0.45 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1ug9 h VAL 544 CO 0.02 0.26 -0.36 0.00 0.02 0.00 0.00 177.57 177.51 1ug9 h ALA 545 N 1.66 0.46 0.00 1.67 0.00 -0.63 -3.03 119.26 119.38 1ug9 h ALA 545 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ug9 h ALA 545 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ug9 h ALA 545 CO 0.03 0.53 0.00 -3.47 0.00 0.00 0.00 179.25 176.34 1ug9 n ASP 546 N -4.17 0.52 0.09 0.00 -0.08 -0.50 -2.71 116.55 109.69 1ug9 n ASP 546 Ca -0.04 0.61 -0.05 0.00 -1.51 0.00 0.00 54.79 53.81 1ug9 n ASP 546 Cb 0.52 -0.73 -0.01 0.00 2.34 0.00 0.00 41.12 43.24 1ug9 n ASP 546 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ug9 h SER 547 N 0.00 0.00 -0.11 1.67 0.02 -1.44 -3.36 113.55 110.33 1ug9 h SER 547 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1ug9 h SER 547 Cb 0.40 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1ug9 h SER 547 CO 0.00 0.84 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.09 1ug9 h LEU 548 N 0.00 -1.17 0.10 5.07 4.07 -1.56 -0.38 115.31 121.44 1ug9 h LEU 548 Ca -0.01 0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.12 1ug9 h LEU 548 Cb 1.51 0.48 -0.04 0.00 1.08 0.00 0.00 40.66 43.69 1ug9 h LEU 548 CO 0.11 -0.40 -0.47 0.00 -1.08 0.00 0.00 178.44 176.60 1ug9 h ALA 549 N 0.22 -0.95 -0.69 1.53 0.00 -1.77 0.24 119.26 117.85 1ug9 h ALA 549 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ug9 h ALA 549 Cb 0.60 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1ug9 h ALA 549 CO -0.37 -1.06 0.34 0.93 0.00 0.00 0.00 179.25 179.09 1ug9 h GLU 550 N -0.66 0.99 -0.47 0.00 3.07 -1.74 -1.38 114.58 114.39 1ug9 h GLU 550 Ca -0.00 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1ug9 h GLU 550 Cb 0.67 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1ug9 h GLU 550 CO -0.26 0.77 0.25 1.15 -1.40 0.00 0.00 179.01 179.52 1ug9 h THR 551 N 0.96 1.18 -0.44 1.13 2.02 -0.79 0.35 112.91 117.31 1ug9 h THR 551 Ca 0.24 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1ug9 h THR 551 Cb 0.10 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1ug9 h THR 551 CO -0.03 0.19 -0.06 0.44 0.37 0.00 0.00 175.52 176.42 1ug9 h ASP 552 N 0.63 0.74 -0.31 4.18 3.32 -0.35 -1.31 116.42 123.31 1ug9 h ASP 552 Ca 0.17 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1ug9 h ASP 552 Cb 0.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ug9 h ASP 552 CO -0.02 0.85 -0.36 0.00 -1.72 0.00 0.00 179.24 177.98 1ug9 h ALA 553 N 1.23 0.67 0.03 3.45 0.00 -0.94 -2.59 119.26 121.10 1ug9 h ALA 553 Ca 0.13 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 1ug9 h ALA 553 Cb 0.52 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ug9 h ALA 553 CO 0.03 0.67 -1.07 1.03 0.00 0.00 0.00 179.25 179.91 1ug9 h SER 554 N 0.70 0.80 0.00 0.00 0.87 -0.65 -3.41 113.55 111.87 1ug9 h SER 554 Ca 0.06 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1ug9 h SER 554 Cb 0.93 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1ug9 h SER 554 CO 0.09 1.47 -0.16 2.30 -0.53 0.00 0.00 176.83 180.00 1ug9 n ILE 555 N -3.80 0.39 -4.35 2.23 -6.64 -0.52 -4.85 119.36 101.83 1ug9 n ILE 555 Ca -0.10 -0.44 -0.24 0.00 -1.77 0.00 0.00 62.75 60.20 1ug9 n ILE 555 Cb 0.90 0.61 -0.08 0.00 -1.44 0.00 0.00 39.64 39.63 1ug9 n ILE 555 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1ug9 s SER 556 N -0.83 4.19 0.21 7.28 1.04 -0.98 0.18 113.70 124.80 1ug9 s SER 556 Ca 0.04 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.39 1ug9 s SER 556 Cb 0.03 -0.60 0.04 0.00 0.10 0.00 0.00 66.02 65.60 1ug9 s SER 556 CO 0.00 -0.08 0.63 0.00 0.98 0.00 0.00 173.24 174.77 1ug9 s GLN 557 N -3.66 1.49 -0.36 4.02 -2.07 -0.01 -4.83 119.66 114.24 1ug9 s GLN 557 Ca 0.32 -0.73 -0.15 0.00 -1.82 0.00 0.00 55.36 52.98 1ug9 s GLN 557 Cb -0.04 0.59 -0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1ug9 s GLN 557 CO 0.19 -0.66 0.37 -2.00 -1.32 0.00 0.00 175.29 171.86 1ug9 s GLU 558 N -3.83 3.45 0.40 9.60 2.56 -1.26 -0.74 118.70 128.88 1ug9 s GLU 558 Ca 0.06 -0.51 0.06 0.00 0.00 0.00 0.00 54.97 54.58 1ug9 s GLU 558 Cb -0.03 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.26 1ug9 s GLU 558 CO -0.04 -0.59 0.56 0.95 -0.56 0.00 0.00 175.26 175.58 1ug9 s THR 559 N 2.02 3.57 0.34 -1.70 -4.23 -0.70 -4.96 115.64 109.98 1ug9 s THR 559 Ca 0.11 -0.90 0.37 0.00 -1.18 0.00 0.00 61.69 60.10 1ug9 s THR 559 Cb -0.17 -3.24 0.38 0.00 1.34 0.00 0.00 72.50 70.80 1ug9 s THR 559 CO 0.12 -0.11 2.13 1.55 -0.54 0.00 0.00 174.62 177.76 1ug9 h PRO 560 N 0.66 0.00 -0.00 3.99 0.13 -1.96 -1.11 132.00 133.71 1ug9 h PRO 560 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ug9 h PRO 560 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ug9 h PRO 560 CO 0.51 0.00 -0.65 0.41 -0.23 0.00 0.00 178.00 178.04 1ug9 n GLY 561 N -0.99 -0.92 0.00 1.56 0.00 -1.26 -5.06 105.19 98.52 1ug9 n GLY 561 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ug9 n GLY 561 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 562 N 1.47 1.71 3.75 -0.02 0.00 -0.42 -3.66 105.19 108.01 1ug9 n GLY 562 Ca 0.06 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1ug9 n GLY 562 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ug9 s ARG 563 N -1.34 4.39 0.14 1.61 3.52 -1.26 -1.72 118.95 124.29 1ug9 s ARG 563 Ca 0.00 2.09 0.05 0.00 -0.13 0.00 0.00 55.73 57.73 1ug9 s ARG 563 Cb 0.00 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1ug9 s ARG 563 CO 0.00 -0.22 -0.10 -1.64 -0.81 0.00 0.00 175.30 172.53 1ug9 s MET 564 N -0.58 1.04 0.09 5.12 -1.94 0.08 -4.83 119.30 118.29 1ug9 s MET 564 Ca 0.54 -1.41 0.08 0.00 -1.71 0.00 0.00 55.69 53.19 1ug9 s MET 564 Cb -0.37 -0.63 -0.03 0.00 2.01 0.00 0.00 34.83 35.80 1ug9 s MET 564 CO 0.42 0.08 -0.21 -1.58 -0.01 0.00 0.00 175.02 173.72 1ug9 s TRP 565 N -3.17 1.78 0.64 -0.03 0.51 -1.26 -0.83 118.94 116.56 1ug9 s TRP 565 Ca 0.15 -0.41 -0.05 0.00 -2.12 0.00 0.00 56.10 53.67 1ug9 s TRP 565 Cb 0.02 -0.98 0.04 0.00 -0.81 0.00 0.00 33.47 31.73 1ug9 s TRP 565 CO 0.01 0.19 0.94 -1.01 -0.51 0.00 0.00 176.95 176.56 1ug9 s HIS 566 N -1.12 3.06 0.02 -1.98 3.76 0.13 -1.98 115.29 117.17 1ug9 s HIS 566 Ca 0.06 0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 55.22 1ug9 s HIS 566 Cb -0.10 -2.94 -0.16 0.00 1.11 0.00 0.00 32.58 30.48 1ug9 s HIS 566 CO 0.04 -1.09 1.33 0.00 -0.85 0.00 0.00 174.74 174.17 1ug9 h ARG 567 N -0.34 0.21 -2.69 1.40 3.08 -1.88 -3.45 114.38 110.73 1ug9 h ARG 567 Ca -0.45 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 59.54 1ug9 h ARG 567 Cb 1.29 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.21 1ug9 h ARG 567 CO 0.60 0.62 0.34 1.52 -1.07 0.00 0.00 179.97 181.97 1ug9 s TYR 568 N -4.36 -0.43 0.29 3.04 -0.85 -1.26 -4.02 117.35 109.76 1ug9 s TYR 568 Ca -0.15 0.23 -0.30 0.00 -0.52 0.00 0.00 57.07 56.33 1ug9 s TYR 568 Cb 0.04 0.56 -0.13 0.00 0.38 0.00 0.00 41.96 42.81 1ug9 s TYR 568 CO 0.72 -0.75 1.36 2.41 -1.52 0.00 0.00 175.55 177.77 1ug9 n THR 569 N -0.34 1.41 -0.57 -3.49 -1.04 -0.78 -2.03 114.28 107.45 1ug9 n THR 569 Ca -0.13 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1ug9 n THR 569 Cb 0.63 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1ug9 n THR 569 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ug9 n TYR 570 N 1.24 0.00 -1.56 -1.42 4.02 -1.26 -4.83 117.16 113.35 1ug9 n TYR 570 Ca 0.08 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.44 1ug9 n TYR 570 Cb 0.34 -0.89 -0.06 0.00 -0.02 0.00 0.00 39.34 38.70 1ug9 n TYR 570 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ug9 n ASP 571 N 0.00 1.17 -0.37 7.72 2.03 -0.86 -4.61 116.55 121.63 1ug9 n ASP 571 Ca 0.00 1.13 0.09 0.00 0.52 0.00 0.00 54.79 56.54 1ug9 n ASP 571 Cb 0.00 -1.12 0.18 0.00 -0.72 0.00 0.00 41.12 39.47 1ug9 n ASP 571 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ug9 n GLY 572 N 2.22 4.59 3.26 0.27 0.00 -1.26 -0.65 105.19 113.63 1ug9 n GLY 572 Ca 0.19 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1ug9 n GLY 572 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ug9 n TYR 573 N -1.11 4.27 -3.82 1.61 4.19 -1.26 -2.07 117.16 118.97 1ug9 n TYR 573 Ca 0.18 -3.12 0.00 0.00 3.31 0.00 0.00 57.90 58.27 1ug9 n TYR 573 Cb 0.73 -2.18 0.00 0.00 0.49 0.00 0.00 39.34 38.38 1ug9 n TYR 573 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ug9 n GLY 574 N 3.83 0.66 3.63 2.98 0.00 -1.23 -4.20 105.19 110.86 1ug9 n GLY 574 Ca 0.40 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1ug9 n GLY 574 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug9 n GLU 575 N -0.08 0.62 -1.88 1.61 4.71 -1.21 -2.86 120.64 121.56 1ug9 n GLU 575 Ca 0.00 0.27 -0.29 0.00 -0.01 0.00 0.00 57.16 57.13 1ug9 n GLU 575 Cb 0.05 -2.26 0.09 0.00 -1.01 0.00 0.00 31.44 28.31 1ug9 n GLU 575 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1ug9 s LYS 576 N -3.28 2.03 0.51 3.49 1.02 0.82 -1.54 119.74 122.79 1ug9 s LYS 576 Ca 0.75 0.16 0.25 0.00 0.02 0.00 0.00 55.97 57.15 1ug9 s LYS 576 Cb -0.36 -1.95 1.34 0.00 -0.52 0.00 0.00 37.83 36.33 1ug9 s LYS 576 CO 0.48 -1.56 1.94 0.00 -0.92 0.00 0.00 175.35 175.30 1ug9 h ALA 577 N -1.03 2.50 -0.00 5.17 0.00 -1.95 0.28 119.26 124.23 1ug9 h ALA 577 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ug9 h ALA 577 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ug9 h ALA 577 CO 0.66 -0.70 -0.02 -0.40 0.00 0.00 0.00 179.25 178.78 1ug9 n ASP 578 N -4.38 0.39 0.00 0.00 3.85 -1.26 -4.87 116.55 110.29 1ug9 n ASP 578 Ca 0.14 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 1ug9 n ASP 578 Cb 0.70 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 1ug9 n ASP 578 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ug9 n GLY 579 N 1.12 0.72 3.76 6.12 0.00 0.98 -4.12 105.19 113.77 1ug9 n GLY 579 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1ug9 n GLY 579 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug9 s SER 580 N -2.66 5.67 0.97 1.61 0.15 -1.25 -4.64 113.70 113.55 1ug9 s SER 580 Ca 0.00 2.52 -0.12 0.00 0.70 0.00 0.00 55.95 59.05 1ug9 s SER 580 Cb 0.00 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 1ug9 s SER 580 CO 0.00 -1.28 0.88 -0.81 1.20 0.00 0.00 173.24 173.23 1ug9 n PRO 581 N -0.84 -0.75 -2.37 5.44 -0.04 -1.26 -0.12 135.00 135.06 1ug9 n PRO 581 Ca 0.09 -0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 1ug9 n PRO 581 Cb 0.47 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 1ug9 n PRO 581 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1ug9 s TRP 582 N -2.52 3.37 -0.05 0.54 -0.00 -1.26 -4.43 118.94 114.59 1ug9 s TRP 582 Ca 0.64 1.61 0.23 0.00 -0.00 0.00 0.00 56.10 58.58 1ug9 s TRP 582 Cb -0.22 -3.39 0.40 0.00 -0.00 0.00 0.00 33.47 30.26 1ug9 s TRP 582 CO 0.62 -0.97 1.15 -0.40 -0.00 0.00 0.00 176.95 177.35 1ug9 n ASP 583 N 0.89 0.86 0.00 5.86 3.85 -1.26 -4.93 116.55 121.81 1ug9 n ASP 583 Ca 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1ug9 n ASP 583 Cb 0.44 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1ug9 n ASP 583 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ug9 n GLY 584 N 0.25 0.61 3.13 6.12 0.00 -1.26 -5.06 105.19 108.98 1ug9 n GLY 584 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1ug9 n GLY 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ug9 s THR 585 N -0.87 0.13 -2.72 2.61 -4.23 -1.26 -4.10 115.64 105.20 1ug9 s THR 585 Ca 0.00 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1ug9 s THR 585 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1ug9 s THR 585 CO 0.00 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1ug9 n GLY 586 N 0.67 -0.60 2.81 3.99 0.00 -0.88 -4.72 105.19 106.47 1ug9 n GLY 586 Ca -0.18 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1ug9 n GLY 586 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ug9 s ILE 587 N -3.67 0.58 0.48 -0.61 2.07 -0.59 -4.34 121.20 115.12 1ug9 s ILE 587 Ca 0.00 -0.01 -0.24 0.00 -1.41 0.00 0.00 60.65 58.99 1ug9 s ILE 587 Cb 0.00 -0.70 -0.08 0.00 0.13 0.00 0.00 42.46 41.82 1ug9 s ILE 587 CO 0.00 0.29 1.33 0.61 -1.91 0.00 0.00 174.94 175.25 1ug9 n GLY 588 N 5.08 0.70 0.00 1.50 0.00 0.17 -3.35 105.19 109.29 1ug9 n GLY 588 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ug9 n GLY 588 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ug9 n ARG 589 N -0.41 3.01 -2.55 1.61 5.12 -1.26 -4.87 116.66 117.30 1ug9 n ARG 589 Ca 0.08 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 1ug9 n ARG 589 Cb 0.42 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.69 1ug9 n ARG 589 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ug9 s LEU 590 N 0.00 4.36 -0.47 0.55 1.02 -1.02 -4.44 118.68 118.67 1ug9 s LEU 590 Ca 0.00 1.83 -0.10 0.00 0.02 0.00 0.00 54.13 55.88 1ug9 s LEU 590 Cb 0.00 -3.57 0.11 0.00 0.02 0.00 0.00 46.19 42.75 1ug9 s LEU 590 CO 0.00 -0.39 0.35 0.26 0.02 0.00 0.00 176.35 176.58 1ug9 s TRP 591 N 1.19 3.40 0.46 0.29 0.52 -0.84 -0.37 118.94 123.58 1ug9 s TRP 591 Ca 0.55 -1.76 0.25 0.00 0.02 0.00 0.00 56.10 55.16 1ug9 s TRP 591 Cb -0.25 -3.44 1.28 0.00 -1.15 0.00 0.00 33.47 29.90 1ug9 s TRP 591 CO 0.28 -0.97 1.80 -1.00 0.02 0.00 0.00 176.95 177.07 1ug9 h PRO 592 N 8.49 0.23 -0.14 4.98 0.13 -1.81 -0.42 132.00 143.46 1ug9 h PRO 592 Ca -0.22 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1ug9 h PRO 592 Cb 1.08 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1ug9 h PRO 592 CO 0.86 0.15 0.13 1.37 -0.23 0.00 0.00 178.00 180.28 1ug9 h LEU 593 N 0.24 0.00 -1.74 1.56 8.10 -1.85 0.90 115.31 122.52 1ug9 h LEU 593 Ca 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.54 1ug9 h LEU 593 Cb 1.74 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.96 1ug9 h LEU 593 CO -0.18 0.00 -0.09 -0.07 -4.11 0.00 0.00 178.44 174.00 1ug9 h LEU 594 N 0.00 0.00 -0.32 0.17 3.38 -1.40 -1.80 115.31 115.34 1ug9 h LEU 594 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1ug9 h LEU 594 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ug9 h LEU 594 CO -0.00 0.09 -0.67 0.28 0.09 0.00 0.00 178.44 178.23 1ug9 h SER 595 N 0.00 0.79 -0.66 -0.43 0.02 -0.96 -1.96 113.55 110.34 1ug9 h SER 595 Ca -0.00 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1ug9 h SER 595 Cb 0.44 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ug9 h SER 595 CO 0.01 1.25 0.14 1.23 -1.14 0.00 0.00 176.83 178.32 1ug9 h GLY 596 N 0.84 1.18 1.26 -3.77 0.00 -1.35 0.53 103.07 101.75 1ug9 h GLY 596 Ca -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1ug9 h GLY 596 CO 0.13 0.70 0.20 0.83 0.00 0.00 0.00 176.54 178.41 1ug9 h GLU 597 N 1.03 0.93 -0.12 4.80 5.08 -1.19 -1.02 114.58 124.10 1ug9 h GLU 597 Ca 0.21 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1ug9 h GLU 597 Cb 0.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ug9 h GLU 597 CO 0.01 0.80 -0.42 -0.09 -1.00 0.00 0.00 179.01 178.30 1ug9 h ARG 598 N 0.91 0.28 -0.47 2.33 9.65 -0.84 -2.79 114.38 123.44 1ug9 h ARG 598 Ca 0.21 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1ug9 h ARG 598 Cb 0.24 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1ug9 h ARG 598 CO -0.01 0.66 0.07 0.78 2.80 0.00 0.00 179.97 184.26 1ug9 h GLY 599 N 1.22 0.79 1.88 2.80 0.00 0.33 -0.64 103.07 109.45 1ug9 h GLY 599 Ca 0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1ug9 h GLY 599 CO 0.07 0.44 -0.58 0.83 0.00 0.00 0.00 176.54 177.30 1ug9 h GLU 600 N 0.71 0.13 -0.24 4.80 5.08 -1.03 0.12 114.58 124.14 1ug9 h GLU 600 Ca 0.15 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1ug9 h GLU 600 Cb 0.34 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ug9 h GLU 600 CO 0.01 0.67 -0.40 -0.92 -1.00 0.00 0.00 179.01 177.37 1ug9 h TYR 601 N 0.10 0.85 -0.13 4.33 5.03 -1.24 -0.23 116.97 125.68 1ug9 h TYR 601 Ca -0.00 -0.30 -0.01 0.00 2.58 0.00 0.00 58.73 61.00 1ug9 h TYR 601 Cb 1.05 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1ug9 h TYR 601 CO 0.01 1.06 0.06 0.00 -1.32 0.00 0.00 178.16 177.97 1ug9 h ALA 602 N 0.64 0.17 -0.39 1.82 0.00 -0.95 -2.75 119.26 117.79 1ug9 h ALA 602 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ug9 h ALA 602 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ug9 h ALA 602 CO 0.09 -0.26 0.14 1.25 0.00 0.00 0.00 179.25 180.47 1ug9 h LEU 603 N 0.07 0.14 -2.32 0.00 5.85 -0.69 0.31 115.31 118.67 1ug9 h LEU 603 Ca 0.04 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ug9 h LEU 603 Cb 0.14 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1ug9 h LEU 603 CO -0.00 0.12 0.21 0.00 -0.34 0.00 0.00 178.44 178.42 1ug9 h ALA 604 N 1.26 1.49 -0.61 1.25 0.00 -0.89 0.24 119.26 122.00 1ug9 h ALA 604 Ca 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ug9 h ALA 604 Cb 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ug9 h ALA 604 CO -0.19 -0.26 0.11 0.09 0.00 0.00 0.00 179.25 179.00 1ug9 n ASN 605 N -3.35 5.12 -0.30 0.00 3.02 0.03 -4.82 115.26 114.96 1ug9 n ASN 605 Ca -0.00 -3.09 -0.04 0.00 -0.03 0.00 0.00 54.58 51.42 1ug9 n ASN 605 Cb 0.30 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1ug9 n ASN 605 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ug9 n GLY 606 N 0.14 0.60 3.94 7.41 0.00 0.85 -5.02 105.19 113.11 1ug9 n GLY 606 Ca 0.33 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ug9 n GLY 606 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ug9 s GLN 607 N -1.69 3.39 -0.24 1.61 -0.21 -0.76 -4.99 119.66 116.77 1ug9 s GLN 607 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 1ug9 s GLN 607 Cb 0.00 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 1ug9 s GLN 607 CO 0.00 -0.02 1.65 0.34 -2.12 0.00 0.00 175.29 175.14 1ug9 s ASP 608 N -4.09 6.29 0.00 5.90 3.68 -1.26 -4.04 116.67 123.15 1ug9 s ASP 608 Ca 0.43 1.57 0.27 0.00 2.13 0.00 0.00 52.55 56.95 1ug9 s ASP 608 Cb -0.10 -2.53 0.79 0.00 -1.45 0.00 0.00 42.92 39.63 1ug9 s ASP 608 CO 0.38 -1.34 1.60 0.00 0.13 0.00 0.00 175.17 175.94 1ug9 n ALA 609 N 8.76 2.54 -0.34 3.66 0.00 -1.26 -4.37 120.51 129.50 1ug9 n ALA 609 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1ug9 n ALA 609 Cb 0.45 -1.06 0.16 0.00 0.00 0.00 0.00 19.45 19.01 1ug9 n ALA 609 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ug9 h LEU 610 N 3.07 0.92 -1.42 0.00 -0.00 -1.95 -2.39 115.31 113.55 1ug9 h LEU 610 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1ug9 h LEU 610 Cb 0.65 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1ug9 h LEU 610 CO 0.00 0.58 0.41 1.55 -0.00 0.00 0.00 178.44 180.99 1ug9 h PRO 611 N 1.05 0.76 -0.31 1.13 0.13 -2.00 -0.70 132.00 132.06 1ug9 h PRO 611 Ca 0.40 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.44 1ug9 h PRO 611 Cb 0.18 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1ug9 h PRO 611 CO -0.18 0.50 -0.03 1.88 -0.23 0.00 0.00 178.00 179.94 1ug9 h TYR 612 N 0.78 0.50 -0.60 1.56 0.05 -1.74 0.47 116.97 117.99 1ug9 h TYR 612 Ca 0.24 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.87 1ug9 h TYR 612 Cb 0.01 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1ug9 h TYR 612 CO -0.00 0.52 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.54 1ug9 h LEU 613 N 0.46 1.06 -0.81 3.88 3.38 -1.07 -1.48 115.31 120.73 1ug9 h LEU 613 Ca 0.10 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1ug9 h LEU 613 Cb 0.35 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1ug9 h LEU 613 CO 0.01 1.12 0.48 -0.33 0.09 0.00 0.00 178.44 179.81 1ug9 h GLU 614 N 0.97 1.11 -0.21 1.13 4.39 -0.15 -1.81 114.58 120.01 1ug9 h GLU 614 Ca 0.17 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ug9 h GLU 614 Cb 0.59 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1ug9 h GLU 614 CO 0.03 0.79 0.07 1.15 -1.16 0.00 0.00 179.01 179.89 1ug9 h THR 615 N 1.12 1.19 -0.83 1.13 2.02 -0.56 -1.38 112.91 115.59 1ug9 h THR 615 Ca 0.29 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1ug9 h THR 615 Cb -0.02 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1ug9 h THR 615 CO -0.05 0.19 0.55 0.24 0.37 0.00 0.00 175.52 176.81 1ug9 h MET 616 N 0.18 1.03 0.00 6.66 2.86 -1.02 -1.98 114.93 122.66 1ug9 h MET 616 Ca 0.07 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1ug9 h MET 616 Cb 0.22 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1ug9 h MET 616 CO -0.00 0.68 -0.38 1.25 1.06 0.00 0.00 176.91 179.52 1ug9 h HIS 617 N 1.06 0.00 0.00 -0.22 6.17 -1.16 -2.93 115.15 118.07 1ug9 h HIS 617 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.40 1ug9 h HIS 617 Cb -0.01 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1ug9 h HIS 617 CO -0.00 0.38 0.00 0.66 0.71 0.00 0.00 177.93 179.68 1ug9 h SER 618 N 0.00 0.00 0.63 3.26 4.64 -0.45 -2.18 113.55 119.44 1ug9 h SER 618 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ug9 h SER 618 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ug9 h SER 618 CO 0.05 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.55 1ug9 n ALA 619 N -1.90 3.28 -1.85 5.18 0.00 -1.11 -4.80 120.51 119.32 1ug9 n ALA 619 Ca 0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1ug9 n ALA 619 Cb 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1ug9 n ALA 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug9 s ALA 620 N -3.03 3.07 0.57 0.00 0.00 -0.82 -4.07 121.76 117.48 1ug9 s ALA 620 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1ug9 s ALA 620 Cb 0.17 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 20.25 1ug9 s ALA 620 CO 0.68 -0.59 0.39 0.27 0.00 0.00 0.00 175.76 176.50 1ug9 n ASN 621 N -2.45 0.45 0.17 0.00 0.23 -1.17 -4.89 115.26 107.61 1ug9 n ASN 621 Ca 0.06 -1.40 0.12 0.00 -0.53 0.00 0.00 54.58 52.83 1ug9 n ASN 621 Cb 0.54 -0.26 0.61 0.00 -2.08 0.00 0.00 39.78 38.59 1ug9 n ASN 621 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ug9 h ALA 622 N -0.67 1.00 -0.39 -2.53 0.00 -1.90 -0.67 119.26 114.11 1ug9 h ALA 622 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ug9 h ALA 622 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ug9 h ALA 622 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1ug9 n GLY 623 N -1.03 1.74 2.25 0.00 0.00 -1.26 -4.43 105.19 102.45 1ug9 n GLY 623 Ca -0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1ug9 n GLY 623 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ug9 n TYR 624 N 1.42 -0.09 -2.90 1.61 4.01 -0.26 -4.90 117.16 116.05 1ug9 n TYR 624 Ca 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1ug9 n TYR 624 Cb 0.59 -1.93 -0.04 0.00 -0.31 0.00 0.00 39.34 37.65 1ug9 n TYR 624 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1ug9 s MET 625 N -3.14 4.06 -0.28 -0.72 -1.94 -1.26 -4.73 119.30 111.29 1ug9 s MET 625 Ca 0.00 0.76 -0.25 0.00 -1.71 0.00 0.00 55.69 54.50 1ug9 s MET 625 Cb 0.00 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1ug9 s MET 625 CO 0.00 -0.63 0.84 0.42 -0.01 0.00 0.00 175.02 175.65 1ug9 s ILE 626 N 2.96 4.78 0.87 2.53 -1.09 -1.26 -3.02 121.20 126.96 1ug9 s ILE 626 Ca 0.34 1.43 -0.12 0.00 -2.23 0.00 0.00 60.65 60.07 1ug9 s ILE 626 Cb -0.14 -4.17 0.11 0.00 -1.58 0.00 0.00 42.46 36.68 1ug9 s ILE 626 CO 0.11 -0.20 1.15 -2.16 -1.23 0.00 0.00 174.94 172.61 1ug9 s PRO 627 N 2.99 1.47 0.06 2.79 0.04 -1.26 -2.59 135.00 138.50 1ug9 s PRO 627 Ca 0.35 0.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 1ug9 s PRO 627 Cb -0.14 -1.88 -0.23 0.00 0.04 0.00 0.00 34.50 32.29 1ug9 s PRO 627 CO 0.10 -1.96 1.18 1.49 0.04 0.00 0.00 177.00 177.85 1ug9 h GLU 628 N -1.33 0.64 -4.67 4.56 4.81 -1.31 -3.42 114.58 113.87 1ug9 h GLU 628 Ca -0.49 -0.67 -0.28 0.00 -0.13 0.00 0.00 59.36 57.79 1ug9 h GLU 628 Cb 1.33 0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.70 1ug9 h GLU 628 CO 0.63 1.27 -0.73 -0.65 -0.73 0.00 0.00 179.01 178.80 1ug9 s GLN 629 N -3.32 0.61 0.07 1.92 -0.21 -1.26 -3.96 119.66 113.52 1ug9 s GLN 629 Ca -0.11 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.45 1ug9 s GLN 629 Cb 0.06 -0.34 -0.03 0.00 1.00 0.00 0.00 33.01 33.71 1ug9 s GLN 629 CO 0.90 0.05 -0.15 0.14 -2.12 0.00 0.00 175.29 174.11 1ug9 s VAL 630 N -1.76 1.20 0.63 1.09 -7.23 0.50 -1.99 120.40 112.83 1ug9 s VAL 630 Ca -0.05 -1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 1ug9 s VAL 630 Cb -0.07 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1ug9 s VAL 630 CO -0.00 -0.18 1.19 1.87 -0.31 0.00 0.00 175.10 177.67 1ug9 n TRP 631 N 1.31 1.58 -1.61 2.82 -0.00 -0.35 -2.45 117.44 118.75 1ug9 n TRP 631 Ca -0.21 0.43 0.05 0.00 -0.00 0.00 0.00 57.50 57.77 1ug9 n TRP 631 Cb 0.54 -2.23 0.09 0.00 -0.00 0.00 0.00 31.31 29.71 1ug9 n TRP 631 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1ug9 n ASP 632 N -1.47 1.33 -4.30 5.87 3.85 -1.26 -1.26 116.55 119.30 1ug9 n ASP 632 Ca 0.15 -2.72 -0.25 0.00 -0.71 0.00 0.00 54.79 51.26 1ug9 n ASP 632 Cb 0.48 -0.35 -0.13 0.00 -1.35 0.00 0.00 41.12 39.77 1ug9 n ASP 632 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1ug9 s ARG 633 N -1.65 1.21 0.27 0.11 1.81 -1.26 -5.03 118.95 114.42 1ug9 s ARG 633 Ca 0.22 -1.17 -0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1ug9 s ARG 633 Cb 0.21 -1.51 0.39 0.00 -0.45 0.00 0.00 34.95 33.59 1ug9 s ARG 633 CO -0.02 0.36 1.77 -0.44 -0.68 0.00 0.00 175.30 176.29 1ug9 h ASP 634 N 4.13 0.69 -3.52 0.23 3.32 -1.97 -3.35 116.42 115.95 1ug9 h ASP 634 Ca -0.47 -0.17 -0.53 0.00 0.02 0.00 0.00 57.03 55.89 1ug9 h ASP 634 Cb 1.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1ug9 h ASP 634 CO 0.40 0.77 -0.02 -1.83 -1.72 0.00 0.00 179.24 176.84 1ug9 s GLU 635 N -4.93 3.94 -0.47 3.56 1.03 -1.26 -4.84 118.70 115.73 1ug9 s GLU 635 Ca -0.09 0.49 -0.15 0.00 0.03 0.00 0.00 54.97 55.25 1ug9 s GLU 635 Cb 0.15 -2.66 0.07 0.00 -0.80 0.00 0.00 34.13 30.89 1ug9 s GLU 635 CO 0.80 0.31 0.38 -1.25 -1.33 0.00 0.00 175.26 174.17 1ug9 s PRO 636 N -2.63 2.95 1.01 -4.83 0.04 -1.26 -4.84 135.00 125.44 1ug9 s PRO 636 Ca 0.47 -1.36 -0.14 0.00 0.04 0.00 0.00 61.00 60.02 1ug9 s PRO 636 Cb -0.12 -4.10 0.21 0.00 0.04 0.00 0.00 34.50 30.53 1ug9 s PRO 636 CO 0.20 -1.02 0.48 0.25 0.04 0.00 0.00 177.00 176.95 1ug9 n THR 637 N 5.18 0.00 -0.34 1.26 -2.24 -1.26 -4.68 114.28 112.19 1ug9 n THR 637 Ca -0.12 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.85 1ug9 n THR 637 Cb 0.44 -0.55 0.42 0.00 -2.10 0.00 0.00 70.33 68.54 1ug9 n THR 637 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ug9 h SER 638 N -2.89 0.62 -2.36 3.42 4.64 -1.98 -3.18 113.55 111.82 1ug9 h SER 638 Ca -0.22 0.14 -0.53 0.00 -0.47 0.00 0.00 61.79 60.71 1ug9 h SER 638 Cb 0.74 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 1ug9 h SER 638 CO 0.13 0.06 1.12 -0.31 -0.87 0.00 0.00 176.83 176.96 1ug9 s TYR 639 N -5.72 2.18 -0.66 4.77 2.02 -1.26 -4.89 117.35 113.78 1ug9 s TYR 639 Ca -0.10 0.17 -0.38 0.00 -0.37 0.00 0.00 57.07 56.39 1ug9 s TYR 639 Cb 0.27 -4.50 -0.19 0.00 -0.40 0.00 0.00 41.96 37.14 1ug9 s TYR 639 CO 0.80 -2.09 2.35 0.41 -1.57 0.00 0.00 175.55 175.44 1ug9 n GLY 640 N 5.42 -0.20 3.21 0.71 0.00 -1.20 -4.89 105.19 108.24 1ug9 n GLY 640 Ca 0.07 1.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.90 1ug9 n GLY 640 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ug9 s HIS 641 N 7.38 2.09 0.10 1.61 3.76 -1.26 -4.97 115.29 124.00 1ug9 s HIS 641 Ca 1.24 -0.60 0.09 0.00 -0.15 0.00 0.00 55.06 55.63 1ug9 s HIS 641 Cb -1.31 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1ug9 s HIS 641 CO 0.57 -0.18 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.89 1ug9 s GLU 642 N -0.10 1.83 -0.03 1.40 2.02 -1.26 -4.05 118.70 118.51 1ug9 s GLU 642 Ca -0.03 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 1ug9 s GLU 642 Cb -0.12 -2.12 -0.06 0.00 0.10 0.00 0.00 34.13 31.92 1ug9 s GLU 642 CO 0.03 0.49 1.71 -1.17 0.02 0.00 0.00 175.26 176.34 1ug9 s LEU 643 N -1.99 4.35 0.00 1.80 0.20 -1.26 -2.37 118.68 119.41 1ug9 s LEU 643 Ca 0.17 2.33 0.00 0.00 0.69 0.00 0.00 54.13 57.32 1ug9 s LEU 643 Cb -0.11 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1ug9 s LEU 643 CO 0.09 -0.95 0.00 0.61 -0.29 0.00 0.00 176.35 175.81 1ug9 n GLY 644 N 4.20 0.70 3.41 7.98 0.00 -0.39 -4.59 105.19 116.49 1ug9 n GLY 644 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1ug9 n GLY 644 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ug9 s ARG 645 N -0.38 1.47 -0.19 1.61 1.81 -1.00 -4.20 118.95 118.07 1ug9 s ARG 645 Ca 0.00 -1.49 -0.42 0.00 -1.72 0.00 0.00 55.73 52.10 1ug9 s ARG 645 Cb 0.00 -1.76 -0.19 0.00 -0.45 0.00 0.00 34.95 32.55 1ug9 s ARG 645 CO 0.00 0.38 1.37 0.45 -0.68 0.00 0.00 175.30 176.82 1ug9 n SER 646 N 0.31 0.95 0.28 0.23 2.88 -1.26 -1.21 113.62 115.81 1ug9 n SER 646 Ca -0.13 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.73 1ug9 n SER 646 Cb 0.56 -0.97 0.80 0.00 -0.75 0.00 0.00 64.21 63.85 1ug9 n SER 646 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ug9 h THR 647 N 4.00 0.25 0.00 2.46 1.35 -1.71 -3.44 112.91 115.82 1ug9 h THR 647 Ca -0.48 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1ug9 h THR 647 Cb 1.38 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1ug9 h THR 647 CO 0.82 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1ug9 n GLY 648 N -0.46 0.59 0.17 5.82 0.00 -1.26 -5.00 105.19 105.06 1ug9 n GLY 648 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1ug9 n GLY 648 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ug9 h SER 649 N 0.00 0.74 -1.25 1.61 4.64 -1.88 -2.64 113.55 114.77 1ug9 h SER 649 Ca 0.00 -0.73 0.09 0.00 -0.47 0.00 0.00 61.79 60.69 1ug9 h SER 649 Cb 0.00 -0.23 -0.21 0.00 -0.31 0.00 0.00 62.40 61.66 1ug9 h SER 649 CO 0.00 1.37 -0.21 0.00 -0.87 0.00 0.00 176.83 177.11 1ug9 s ALA 650 N -3.35 -2.24 -0.27 5.18 0.00 -1.26 -2.03 121.76 117.78 1ug9 s ALA 650 Ca -0.11 1.97 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 1ug9 s ALA 650 Cb 0.06 -2.07 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1ug9 s ALA 650 CO 0.87 -1.22 0.73 0.45 0.00 0.00 0.00 175.76 176.59 1ug9 s SER 651 N 2.87 -0.78 0.60 0.00 0.15 -0.55 -0.75 113.70 115.24 1ug9 s SER 651 Ca 0.13 1.43 -0.08 0.00 0.70 0.00 0.00 55.95 58.13 1ug9 s SER 651 Cb -0.14 1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1ug9 s SER 651 CO -0.20 -0.24 0.94 -2.16 1.20 0.00 0.00 173.24 172.78 1ug9 s PRO 652 N 0.66 3.13 -0.24 5.44 0.04 -1.26 0.13 135.00 142.90 1ug9 s PRO 652 Ca -0.02 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.22 1ug9 s PRO 652 Cb -0.05 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1ug9 s PRO 652 CO -0.04 -0.66 0.02 -1.17 0.04 0.00 0.00 177.00 175.19 1ug9 s LEU 653 N -5.06 3.23 0.37 -3.56 2.96 -1.07 -4.62 118.68 110.94 1ug9 s LEU 653 Ca 0.54 -0.27 0.11 0.00 -0.22 0.00 0.00 54.13 54.28 1ug9 s LEU 653 Cb -0.11 -1.85 0.88 0.00 0.50 0.00 0.00 46.19 45.61 1ug9 s LEU 653 CO 0.48 -0.02 1.88 -1.28 -1.32 0.00 0.00 176.35 176.09 1ug9 h SER 654 N 8.14 0.59 -0.18 3.68 0.87 -1.83 0.41 113.55 125.23 1ug9 h SER 654 Ca -0.39 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ug9 h SER 654 Cb 1.17 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1ug9 h SER 654 CO 0.59 0.30 0.10 -0.25 -0.53 0.00 0.00 176.83 177.03 1ug9 h TRP 655 N 0.62 0.25 -0.15 2.24 2.91 -1.85 0.24 115.95 120.21 1ug9 h TRP 655 Ca 0.43 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.33 1ug9 h TRP 655 Cb 0.76 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 1ug9 h TRP 655 CO -0.00 0.25 -0.41 0.00 -1.03 0.00 0.00 178.44 177.25 1ug9 h ALA 656 N 0.98 1.02 -0.48 2.65 0.00 -1.58 -0.42 119.26 121.44 1ug9 h ALA 656 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1ug9 h ALA 656 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ug9 h ALA 656 CO -0.01 0.61 -0.19 1.98 0.00 0.00 0.00 179.25 181.64 1ug9 h MET 657 N 0.28 0.97 -0.54 0.00 4.05 -0.69 -2.68 114.93 116.32 1ug9 h MET 657 Ca 0.03 -0.40 -0.10 0.00 -0.28 0.00 0.00 59.70 58.94 1ug9 h MET 657 Cb 0.85 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1ug9 h MET 657 CO 0.07 1.07 -0.05 0.00 0.23 0.00 0.00 176.91 178.23 1ug9 h ALA 658 N 0.87 0.74 -0.15 0.39 0.00 -0.18 -2.73 119.26 118.19 1ug9 h ALA 658 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ug9 h ALA 658 Cb 0.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ug9 h ALA 658 CO 0.06 0.61 -0.00 0.37 0.00 0.00 0.00 179.25 180.28 1ug9 h GLN 659 N 0.87 0.21 -0.04 0.00 5.75 -0.97 0.41 115.11 121.33 1ug9 h GLN 659 Ca 0.15 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1ug9 h GLN 659 Cb 0.60 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1ug9 h GLN 659 CO 0.04 0.23 -0.03 -0.92 -2.65 0.00 0.00 178.83 175.50 1ug9 h TYR 660 N 0.20 0.11 -0.22 3.99 5.03 -1.18 -2.18 116.97 122.72 1ug9 h TYR 660 Ca 0.05 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ug9 h TYR 660 Cb 0.15 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1ug9 h TYR 660 CO 0.00 0.53 0.11 0.28 -1.32 0.00 0.00 178.16 177.76 1ug9 h VAL 661 N -0.34 1.14 -0.79 1.81 2.07 -1.21 -1.82 116.25 117.12 1ug9 h VAL 661 Ca 0.01 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1ug9 h VAL 661 Cb 0.51 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1ug9 h VAL 661 CO 0.01 0.13 0.43 -0.09 0.02 0.00 0.00 177.57 178.07 1ug9 h ARG 662 N 0.23 1.10 -0.33 1.57 2.43 -0.99 -0.23 114.38 118.16 1ug9 h ARG 662 Ca 0.08 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1ug9 h ARG 662 Cb 0.12 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1ug9 h ARG 662 CO -0.01 0.82 -0.12 1.25 -1.51 0.00 0.00 179.97 180.40 1ug9 h LEU 663 N 1.10 0.69 -1.10 3.80 5.85 -1.33 -1.52 115.31 122.79 1ug9 h LEU 663 Ca 0.28 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ug9 h LEU 663 Cb 0.04 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1ug9 h LEU 663 CO -0.04 0.92 0.61 0.00 -0.34 0.00 0.00 178.44 179.58 1ug9 h ALA 664 N 0.79 1.37 -0.31 1.25 0.00 -1.02 -0.24 119.26 121.11 1ug9 h ALA 664 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ug9 h ALA 664 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ug9 h ALA 664 CO 0.04 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.68 1ug9 h ALA 665 N 1.44 1.12 -0.14 0.00 0.00 -0.81 -2.33 119.26 118.54 1ug9 h ALA 665 Ca 0.35 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ug9 h ALA 665 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ug9 h ALA 665 CO -0.09 0.55 -0.31 0.78 0.00 0.00 0.00 179.25 180.17 1ug9 h GLY 666 N 0.97 0.30 1.41 0.00 0.00 -0.08 -2.28 103.07 103.39 1ug9 h GLY 666 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1ug9 h GLY 666 CO 0.04 0.23 0.02 -2.08 0.00 0.00 0.00 176.54 174.74 1ug9 h VAL 667 N 0.24 1.23 -0.03 4.60 2.07 -0.56 0.27 116.25 124.08 1ug9 h VAL 667 Ca 0.03 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 1ug9 h VAL 667 Cb 0.68 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ug9 h VAL 667 CO 0.05 0.33 -0.70 0.50 0.02 0.00 0.00 177.57 177.77 1ug9 h LYS 668 N 0.69 0.15 0.00 1.57 3.64 -1.22 -3.19 116.57 118.20 1ug9 h LYS 668 Ca 0.14 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1ug9 h LYS 668 Cb 0.40 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1ug9 h LYS 668 CO 0.01 0.79 -0.82 0.00 -2.27 0.00 0.00 179.45 177.16 1ug9 h ALA 669 N 1.18 0.64 0.00 5.00 0.00 -0.96 -3.48 119.26 121.64 1ug9 h ALA 669 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ug9 h ALA 669 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ug9 h ALA 669 CO 0.10 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1ug9 n GLY 670 N 1.29 0.75 3.59 0.00 0.00 0.90 -5.02 105.19 106.69 1ug9 n GLY 670 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1ug9 n GLY 670 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 671 N -2.12 -1.96 -0.02 4.61 0.00 -0.78 -4.84 121.76 116.65 1ug9 s ALA 671 Ca 0.00 1.64 -0.35 0.00 0.00 0.00 0.00 51.96 53.25 1ug9 s ALA 671 Cb 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 23.12 22.15 1ug9 s ALA 671 CO 0.00 -0.30 1.75 -0.35 0.00 0.00 0.00 175.76 176.86 1ug9 n PRO 672 N 0.72 2.04 0.11 0.00 -0.04 -1.26 -4.51 135.00 132.06 1ug9 n PRO 672 Ca -0.09 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 1ug9 n PRO 672 Cb 0.58 -2.54 0.40 0.00 -0.04 0.00 0.00 33.50 31.90 1ug9 n PRO 672 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ug9 h VAL 673 N 4.77 0.00 -0.00 0.52 3.04 -1.88 -3.29 116.25 119.40 1ug9 h VAL 673 Ca -0.47 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1ug9 h VAL 673 Cb 1.27 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1ug9 h VAL 673 CO 0.92 0.00 -0.81 -1.84 -1.01 0.00 0.00 177.57 174.83 1ug9 n GLU 674 N -2.32 0.11 -1.67 4.17 0.00 -1.26 -4.94 120.64 114.73 1ug9 n GLU 674 Ca 0.05 -0.08 -0.49 0.00 0.00 0.00 0.00 57.16 56.64 1ug9 n GLU 674 Cb 0.42 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.32 1ug9 n GLU 674 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1ug9 n THR 675 N -1.37 0.23 -1.84 3.84 -1.04 -1.24 -4.82 114.28 108.04 1ug9 n THR 675 Ca 0.05 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.62 1ug9 n THR 675 Cb 0.34 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 1ug9 n THR 675 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ug9 s PRO 676 N 2.21 2.76 0.25 -2.82 0.04 -1.26 -4.87 135.00 131.32 1ug9 s PRO 676 Ca 0.86 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1ug9 s PRO 676 Cb -0.76 -4.38 0.50 0.00 0.04 0.00 0.00 34.50 29.90 1ug9 s PRO 676 CO 0.47 -2.54 1.73 1.96 0.04 0.00 0.00 177.00 178.66 1ug9 h GLN 677 N 15.59 0.45 0.00 4.56 4.20 -1.94 0.37 115.11 138.34 1ug9 h GLN 677 Ca -0.30 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.31 1ug9 h GLN 677 Cb 1.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1ug9 h GLN 677 CO 1.11 0.30 -0.36 -2.95 -0.67 0.00 0.00 178.83 176.26 1ug9 h ASN 678 N 0.47 0.00 0.02 1.46 -1.07 -1.99 -0.47 115.58 113.99 1ug9 h ASN 678 Ca 0.44 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.81 1ug9 h ASN 678 Cb 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 1ug9 h ASN 678 CO -0.41 0.36 -0.01 0.58 0.07 0.00 0.00 177.43 178.02 1ug9 h VAL 679 N 0.00 1.49 -0.59 6.14 2.07 -1.48 -3.20 116.25 120.68 1ug9 h VAL 679 Ca -0.00 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1ug9 h VAL 679 Cb 0.75 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1ug9 h VAL 679 CO 0.05 0.43 0.39 0.00 0.02 0.00 0.00 177.57 178.47 1ug9 h ALA 680 N 0.12 1.63 0.00 1.67 0.00 -0.91 -0.09 119.26 121.67 1ug9 h ALA 680 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ug9 h ALA 680 Cb 0.73 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ug9 h ALA 680 CO 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1ug9 h ALA 681 N 1.64 1.61 0.09 0.00 0.00 -1.14 0.21 119.26 121.68 1ug9 h ALA 681 Ca 0.23 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.74 1ug9 h ALA 681 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ug9 h ALA 681 CO -0.06 0.09 -1.87 -2.13 0.00 0.00 0.00 179.25 175.28 1ug9 n ARG 682 N -4.05 0.71 -0.03 0.00 0.63 -0.18 -4.29 116.66 109.45 1ug9 n ARG 682 Ca -0.03 0.32 0.02 0.00 -0.92 0.00 0.00 57.85 57.25 1ug9 n ARG 682 Cb 0.15 -1.71 -0.12 0.00 0.45 0.00 0.00 32.46 31.24 1ug9 n ARG 682 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ug9 n TYR 683 N -3.69 0.00 0.44 -0.14 4.01 -0.42 -4.67 117.16 112.70 1ug9 n TYR 683 Ca -0.33 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.47 1ug9 n TYR 683 Cb 0.97 -0.47 0.06 0.00 -0.31 0.00 0.00 39.34 39.58 1ug9 n TYR 683 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ug9 n ALA 684 N -2.20 2.46 -1.12 -0.72 0.00 0.64 -4.01 120.51 115.56 1ug9 n ALA 684 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1ug9 n ALA 684 Cb 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1ug9 n ALA 684 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug9 n ALA 685 N 0.65 0.00 -1.00 0.00 0.00 -0.55 -4.58 120.51 115.03 1ug9 n ALA 685 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ug9 n ALA 685 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1ug9 n ALA 685 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug9 n GLY 686 N 5.00 0.77 3.73 0.00 0.00 -1.26 -4.94 105.19 108.48 1ug9 n GLY 686 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ug9 n GLY 686 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ug9 n THR 687 N 0.00 1.21 -2.16 2.61 -1.04 -1.26 -5.01 114.28 108.63 1ug9 n THR 687 Ca 0.00 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.05 61.40 1ug9 n THR 687 Cb 0.00 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 1ug9 n THR 687 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ug9 s PRO 688 N -0.80 3.73 0.22 -2.82 0.04 -1.26 -5.05 135.00 129.07 1ug9 s PRO 688 Ca 0.63 0.78 0.05 0.00 0.04 0.00 0.00 61.00 62.50 1ug9 s PRO 688 Cb -0.54 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1ug9 s PRO 688 CO 0.52 -0.41 0.29 -0.51 0.04 0.00 0.00 177.00 176.92 1ug9 s LEU 689 N -4.68 4.14 0.71 -3.56 1.43 -1.26 -5.09 118.68 110.38 1ug9 s LEU 689 Ca 0.56 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 1ug9 s LEU 689 Cb -0.11 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1ug9 s LEU 689 CO 0.44 -0.03 1.12 -0.94 0.23 0.00 0.00 176.35 177.16 1ug9 s SER 690 N -3.77 4.71 -0.44 2.29 1.04 -1.26 -4.96 113.70 111.31 1ug9 s SER 690 Ca 0.34 2.00 0.03 0.00 0.48 0.00 0.00 55.95 58.79 1ug9 s SER 690 Cb -0.09 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.60 1ug9 s SER 690 CO 0.27 -1.90 0.18 -0.55 0.98 0.00 0.00 173.24 172.22 1ug9 s SER 691 N -2.75 4.71 0.81 7.02 0.15 -1.26 -4.09 113.70 118.29 1ug9 s SER 691 Ca 0.66 -2.52 -0.13 0.00 0.70 0.00 0.00 55.95 54.66 1ug9 s SER 691 Cb -0.21 -1.68 0.08 0.00 -1.71 0.00 0.00 66.02 62.51 1ug9 s SER 691 CO 0.47 -0.34 1.20 -2.16 1.20 0.00 0.00 173.24 173.60 1ug9 s PRO 692 N 0.41 1.63 0.02 5.44 0.04 -1.26 -4.99 135.00 136.28 1ug9 s PRO 692 Ca 0.13 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 1ug9 s PRO 692 Cb -0.22 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1ug9 s PRO 692 CO -0.04 -2.22 0.56 -2.00 0.04 0.00 0.00 177.00 173.34 1ug9 s GLU 693 N -4.18 4.23 -0.06 4.56 2.56 -1.26 -4.67 118.70 119.89 1ug9 s GLU 693 Ca 0.72 0.69 -0.02 0.00 0.00 0.00 0.00 54.97 56.36 1ug9 s GLU 693 Cb -0.28 -3.30 0.04 0.00 2.00 0.00 0.00 34.13 32.59 1ug9 s GLU 693 CO 0.51 0.49 0.10 -1.17 -0.56 0.00 0.00 175.26 174.64 1ug9 s LEU 694 N -0.59 0.32 -0.12 2.70 2.96 -1.26 -2.52 118.68 120.17 1ug9 s LEU 694 Ca 0.29 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1ug9 s LEU 694 Cb -0.18 0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.64 1ug9 s LEU 694 CO 0.17 -0.21 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.40 1ug9 s SER 695 N 1.86 2.25 -0.48 3.68 0.15 0.16 -4.99 113.70 116.32 1ug9 s SER 695 Ca -0.00 -0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.15 1ug9 s SER 695 Cb -0.12 -0.75 0.10 0.00 -1.71 0.00 0.00 66.02 63.55 1ug9 s SER 695 CO -0.04 -0.17 0.38 -0.69 1.20 0.00 0.00 173.24 173.92 1ug9 s VAL 696 N 1.76 4.67 -0.53 4.45 1.01 -1.26 0.15 120.40 130.66 1ug9 s VAL 696 Ca 0.04 -1.48 0.24 0.00 0.00 0.00 0.00 61.98 60.77 1ug9 s VAL 696 Cb -0.13 -3.95 0.32 0.00 0.00 0.00 0.00 36.38 32.62 1ug9 s VAL 696 CO -0.07 -0.70 1.66 0.71 0.00 0.00 0.00 175.10 176.69 1ug9 h THR 697 N 5.98 0.00 -2.41 3.92 1.35 -1.65 -3.45 112.91 116.64 1ug9 h THR 697 Ca -0.25 -0.85 -0.07 0.00 -0.55 0.00 0.00 66.41 64.69 1ug9 h THR 697 Cb 1.09 1.85 -0.24 0.00 -1.73 0.00 0.00 68.15 69.12 1ug9 h THR 697 CO 0.89 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 176.02 1ug9 s ALA 698 N -3.18 -1.35 0.88 6.62 0.00 -1.15 -4.68 121.76 118.90 1ug9 s ALA 698 Ca 0.08 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1ug9 s ALA 698 Cb 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1ug9 s ALA 698 CO 0.65 -0.28 0.00 -0.35 0.00 0.00 0.00 175.76 175.77 1ug9 n PRO 699 N 3.63 0.41 -2.53 0.00 -0.04 -1.21 -1.17 135.00 134.09 1ug9 n PRO 699 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1ug9 n PRO 699 Cb 0.57 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 1ug9 n PRO 699 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ug9 s GLU 700 N -2.05 2.11 0.28 0.54 2.02 -1.26 -4.97 118.70 115.37 1ug9 s GLU 700 Ca 0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.12 1ug9 s GLU 700 Cb 0.00 -2.36 0.51 0.00 0.10 0.00 0.00 34.13 32.38 1ug9 s GLU 700 CO 0.00 -1.12 1.56 0.00 0.02 0.00 0.00 175.26 175.72 1ug9 h ALA 701 N -0.31 0.76 -3.41 5.21 0.00 -1.91 -3.38 119.26 116.21 1ug9 h ALA 701 Ca -0.40 0.38 -0.45 0.00 0.00 0.00 0.00 54.91 54.43 1ug9 h ALA 701 Cb 1.29 0.72 -0.34 0.00 0.00 0.00 0.00 17.79 19.45 1ug9 h ALA 701 CO 0.49 -0.42 -0.79 -1.17 0.00 0.00 0.00 179.25 177.36 1ug9 s LEU 702 N -11.19 1.36 0.24 0.00 2.96 -1.26 -0.65 118.68 110.13 1ug9 s LEU 702 Ca -0.15 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 1ug9 s LEU 702 Cb 0.27 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 1ug9 s LEU 702 CO 0.78 -0.04 0.43 -0.94 -1.32 0.00 0.00 176.35 175.25 1ug9 s SER 703 N 0.98 -0.06 -0.16 3.68 1.04 -0.52 -5.01 113.70 113.65 1ug9 s SER 703 Ca -0.10 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1ug9 s SER 703 Cb -0.14 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1ug9 s SER 703 CO 0.00 -1.10 -0.16 -0.89 0.98 0.00 0.00 173.24 172.07 1ug9 s THR 704 N -4.04 1.73 0.82 2.02 2.01 -1.26 -0.37 115.64 116.55 1ug9 s THR 704 Ca 0.25 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 1ug9 s THR 704 Cb 0.00 -1.60 0.09 0.00 0.01 0.00 0.00 72.50 71.00 1ug9 s THR 704 CO 0.09 0.49 1.18 0.00 -0.69 0.00 0.00 174.62 175.69 1ug9 s ALA 705 N 1.40 1.84 -1.97 7.40 0.00 -0.06 -4.92 121.76 125.46 1ug9 s ALA 705 Ca 0.05 0.72 0.17 0.00 0.00 0.00 0.00 51.96 52.89 1ug9 s ALA 705 Cb -0.13 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 19.74 1ug9 s ALA 705 CO -0.11 -2.27 1.10 -0.25 0.00 0.00 0.00 175.76 174.23 1ug9 n ASP 706 N -3.45 2.60 -0.58 0.00 8.00 -1.26 -4.72 116.55 117.15 1ug9 n ASP 706 Ca 0.13 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.86 1ug9 n ASP 706 Cb 0.51 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1ug9 n ASP 706 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ug9 n SER 707 N 0.97 0.00 -0.27 -2.24 3.41 -1.24 -1.11 113.62 113.14 1ug9 n SER 707 Ca 0.11 -0.58 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1ug9 n SER 707 Cb 0.44 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.92 1ug9 n SER 707 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ug9 n ALA 708 N -3.00 2.58 -2.50 7.33 0.00 -1.26 -4.75 120.51 118.90 1ug9 n ALA 708 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1ug9 n ALA 708 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 1ug9 n ALA 708 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ug9 s THR 709 N -1.92 0.81 0.01 0.00 -4.23 -1.26 -0.14 115.64 108.91 1ug9 s THR 709 Ca 0.33 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1ug9 s THR 709 Cb 0.17 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 1ug9 s THR 709 CO 0.26 -0.58 -0.06 0.00 -0.54 0.00 0.00 174.62 173.71 1ug9 s ALA 710 N -2.43 0.49 -0.23 3.99 0.00 -0.25 -4.64 121.76 118.69 1ug9 s ALA 710 Ca 0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 1ug9 s ALA 710 Cb -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1ug9 s ALA 710 CO -0.01 0.07 1.09 0.08 0.00 0.00 0.00 175.76 176.99 1ug9 s VAL 711 N -0.54 4.59 -0.27 0.00 1.01 -1.26 -1.92 120.40 122.00 1ug9 s VAL 711 Ca -0.02 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1ug9 s VAL 711 Cb -0.05 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.13 1ug9 s VAL 711 CO 0.00 -0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.13 1ug9 s VAL 712 N 3.31 2.44 0.19 2.92 1.01 -0.58 -3.32 120.40 126.37 1ug9 s VAL 712 Ca 0.46 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 1ug9 s VAL 712 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1ug9 s VAL 712 CO 0.08 -0.02 0.21 0.00 0.00 0.00 0.00 175.10 175.38 1ug9 s ARG 713 N 1.16 1.22 0.00 2.72 1.70 -0.31 -1.02 118.95 124.43 1ug9 s ARG 713 Ca -0.07 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 1ug9 s ARG 713 Cb -0.19 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 1ug9 s ARG 713 CO -0.04 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1ug9 n GLY 714 N -0.26 -0.51 3.39 3.88 0.00 -0.91 -1.55 105.19 109.23 1ug9 n GLY 714 Ca -0.01 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1ug9 n GLY 714 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ug9 s THR 715 N -3.05 2.13 -0.03 2.61 2.01 0.12 -1.72 115.64 117.71 1ug9 s THR 715 Ca 0.00 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 59.72 1ug9 s THR 715 Cb 0.00 -2.01 0.10 0.00 0.01 0.00 0.00 72.50 70.60 1ug9 s THR 715 CO 0.00 -0.21 0.82 0.28 -0.69 0.00 0.00 174.62 174.81 1ug9 s THR 716 N -1.86 0.00 -0.20 -0.82 -1.32 -0.28 0.35 115.64 111.51 1ug9 s THR 716 Ca 0.19 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.82 1ug9 s THR 716 Cb -0.07 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.37 1ug9 s THR 716 CO 0.09 0.00 1.34 -0.46 -2.21 0.00 0.00 174.62 173.37 1ug9 n ASN 717 N 0.29 2.86 -4.93 8.08 6.94 -1.05 -4.28 115.26 123.16 1ug9 n ASN 717 Ca -0.13 -3.33 -0.25 0.00 -0.02 0.00 0.00 54.58 50.84 1ug9 n ASN 717 Cb 0.60 -0.54 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1ug9 n ASN 717 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ug9 s ALA 718 N -3.00 3.71 0.07 -2.53 0.00 -1.26 -4.83 121.76 113.91 1ug9 s ALA 718 Ca 0.40 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 51.32 1ug9 s ALA 718 Cb 0.34 -2.12 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 1ug9 s ALA 718 CO 0.03 0.11 1.47 0.00 0.00 0.00 0.00 175.76 177.37 1ug9 h ALA 719 N 1.13 0.28 -2.85 0.00 0.00 -1.48 -3.46 119.26 112.89 1ug9 h ALA 719 Ca -0.49 -0.24 -0.42 0.00 0.00 0.00 0.00 54.91 53.76 1ug9 h ALA 719 Cb 1.21 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1ug9 h ALA 719 CO 0.63 0.04 -0.76 0.15 0.00 0.00 0.00 179.25 179.32 1ug9 s LYS 720 N -4.81 1.04 -0.02 0.00 1.02 -0.71 -4.72 119.74 111.55 1ug9 s LYS 720 Ca -0.14 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 54.60 1ug9 s LYS 720 Cb 0.06 -0.91 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 1ug9 s LYS 720 CO 0.74 0.17 -0.06 0.08 -0.92 0.00 0.00 175.35 175.37 1ug9 s VAL 721 N -2.21 0.49 -0.04 3.17 1.01 -1.26 0.25 120.40 121.82 1ug9 s VAL 721 Ca 0.10 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1ug9 s VAL 721 Cb -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1ug9 s VAL 721 CO 0.03 0.16 -0.18 -0.31 0.00 0.00 0.00 175.10 174.81 1ug9 s TYR 722 N 0.16 1.73 -0.20 5.22 2.02 0.53 -0.80 117.35 126.01 1ug9 s TYR 722 Ca -0.02 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1ug9 s TYR 722 Cb -0.06 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1ug9 s TYR 722 CO -0.00 -0.14 -0.15 0.08 -1.57 0.00 0.00 175.55 173.77 1ug9 s VAL 723 N -0.06 2.40 -0.11 0.71 1.01 0.44 -0.63 120.40 124.15 1ug9 s VAL 723 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1ug9 s VAL 723 Cb -0.11 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1ug9 s VAL 723 CO 0.02 0.44 -0.18 -0.55 0.00 0.00 0.00 175.10 174.82 1ug9 s SER 724 N 1.31 3.57 -0.25 3.32 0.15 -0.02 -0.50 113.70 121.28 1ug9 s SER 724 Ca 0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1ug9 s SER 724 Cb -0.14 -1.44 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1ug9 s SER 724 CO -0.10 0.18 -0.09 0.54 1.20 0.00 0.00 173.24 174.97 1ug9 s VAL 725 N 0.26 2.52 -1.38 4.45 0.11 0.98 -0.58 120.40 126.75 1ug9 s VAL 725 Ca -0.13 -1.27 -0.09 0.00 -2.93 0.00 0.00 61.98 57.57 1ug9 s VAL 725 Cb -0.16 -2.33 0.06 0.00 -1.53 0.00 0.00 36.38 32.41 1ug9 s VAL 725 CO 0.07 0.14 0.57 0.59 -3.33 0.00 0.00 175.10 173.14 1ug9 n ASN 726 N 4.57 -4.46 0.00 3.54 5.03 -0.61 -1.55 115.26 121.79 1ug9 n ASN 726 Ca -0.16 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 54.89 1ug9 n ASN 726 Cb 0.45 -3.64 0.00 0.00 -1.02 0.00 0.00 39.78 35.57 1ug9 n ASN 726 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ug9 n GLY 727 N -1.32 2.93 3.53 7.41 0.00 -1.26 -5.05 105.19 111.44 1ug9 n GLY 727 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1ug9 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ug9 s THR 728 N -2.73 5.18 0.01 2.61 2.01 -0.60 -4.91 115.64 117.20 1ug9 s THR 728 Ca 0.00 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1ug9 s THR 728 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1ug9 s THR 728 CO 0.00 -0.13 0.11 0.00 -0.69 0.00 0.00 174.62 173.91 1ug9 s ALA 729 N 1.98 3.69 -0.02 7.40 0.00 -1.26 -0.02 121.76 133.53 1ug9 s ALA 729 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ug9 s ALA 729 Cb -0.17 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1ug9 s ALA 729 CO 0.12 0.72 0.05 -0.08 0.00 0.00 0.00 175.76 176.56 1ug9 s THR 730 N -1.26 -0.02 0.32 0.00 -1.32 0.34 -4.91 115.64 108.78 1ug9 s THR 730 Ca 0.25 0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.54 1ug9 s THR 730 Cb -0.12 -0.09 -0.09 0.00 -1.51 0.00 0.00 72.50 70.68 1ug9 s THR 730 CO 0.16 0.03 1.02 -0.70 -2.21 0.00 0.00 174.62 172.92 1ug9 s GLU 731 N 0.45 4.53 -0.29 7.08 2.12 -1.26 -0.42 118.70 130.91 1ug9 s GLU 731 Ca -0.04 1.54 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 1ug9 s GLU 731 Cb -0.05 -2.92 0.03 0.00 0.26 0.00 0.00 34.13 31.45 1ug9 s GLU 731 CO -0.02 0.18 0.00 0.00 -0.54 0.00 0.00 175.26 174.89 1ug9 s ALA 732 N -1.42 2.84 0.20 6.30 0.00 0.02 -4.88 121.76 124.82 1ug9 s ALA 732 Ca 0.49 -1.61 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 1ug9 s ALA 732 Cb -0.25 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 1ug9 s ALA 732 CO 0.31 -1.07 1.74 -1.25 0.00 0.00 0.00 175.76 175.49 1ug9 s PRO 733 N 1.33 4.12 -0.14 0.00 0.04 -1.26 -3.99 135.00 135.11 1ug9 s PRO 733 Ca -0.02 2.61 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 1ug9 s PRO 733 Cb -0.18 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1ug9 s PRO 733 CO -0.01 -0.76 0.40 0.08 0.04 0.00 0.00 177.00 176.75 1ug9 s VAL 734 N 1.34 5.24 -0.08 -0.36 1.01 -1.26 -4.53 120.40 121.75 1ug9 s VAL 734 Ca 0.75 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 1ug9 s VAL 734 Cb -0.49 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1ug9 s VAL 734 CO 0.32 0.35 -0.03 0.42 0.00 0.00 0.00 175.10 176.16 1ug9 s THR 735 N 0.57 0.58 -1.53 3.92 -4.23 0.60 -4.82 115.64 110.74 1ug9 s THR 735 Ca 0.22 -0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1ug9 s THR 735 Cb -0.14 -0.67 0.08 0.00 1.34 0.00 0.00 72.50 73.11 1ug9 s THR 735 CO 0.08 0.28 0.94 0.47 -0.54 0.00 0.00 174.62 175.85 1ug9 n ASP 736 N 4.85 -4.33 -0.63 3.99 8.00 -1.26 -1.07 116.55 126.11 1ug9 n ASP 736 Ca -0.12 -0.80 -0.08 0.00 0.71 0.00 0.00 54.79 54.49 1ug9 n ASP 736 Cb 0.50 -3.80 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 1ug9 n ASP 736 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ug9 n GLY 737 N -1.67 0.98 3.20 0.44 0.00 -1.26 -5.00 105.19 101.88 1ug9 n GLY 737 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1ug9 n GLY 737 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ug9 s THR 738 N -2.18 1.00 0.12 2.61 -4.23 -0.23 -1.12 115.64 111.61 1ug9 s THR 738 Ca 0.00 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1ug9 s THR 738 Cb 0.00 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.27 1ug9 s THR 738 CO 0.00 -0.66 0.28 0.72 -0.54 0.00 0.00 174.62 174.42 1ug9 s PHE 739 N -2.88 0.11 -0.30 3.99 -0.12 -0.70 -0.29 117.98 117.79 1ug9 s PHE 739 Ca 0.10 -0.50 -0.10 0.00 -0.05 0.00 0.00 56.93 56.39 1ug9 s PHE 739 Cb -0.00 0.04 0.17 0.00 -0.63 0.00 0.00 43.02 42.60 1ug9 s PHE 739 CO -0.00 -0.64 0.89 0.45 -0.05 0.00 0.00 175.22 175.86 1ug9 s SER 740 N -2.87 -0.79 -0.05 1.98 0.15 -1.26 -2.14 113.70 108.72 1ug9 s SER 740 Ca 0.07 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.41 1ug9 s SER 740 Cb 0.04 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1ug9 s SER 740 CO -0.08 -0.15 -0.15 -0.22 1.20 0.00 0.00 173.24 173.84 1ug9 s LEU 741 N 2.80 1.84 -0.95 3.45 2.96 -0.19 -4.93 118.68 123.68 1ug9 s LEU 741 Ca 0.04 -0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 1ug9 s LEU 741 Cb -0.11 -0.89 0.14 0.00 0.50 0.00 0.00 46.19 45.83 1ug9 s LEU 741 CO -0.16 0.11 1.12 -1.81 -1.32 0.00 0.00 176.35 174.30 1ug9 s ASP 742 N 0.22 6.68 0.36 3.68 1.01 -1.26 -1.53 116.67 125.83 1ug9 s ASP 742 Ca -0.07 -2.18 -0.23 0.00 0.71 0.00 0.00 52.55 50.79 1ug9 s ASP 742 Cb -0.12 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1ug9 s ASP 742 CO 0.03 -0.99 0.91 0.54 0.21 0.00 0.00 175.17 175.87 1ug9 s VAL 743 N 2.37 4.35 -0.13 -1.27 0.11 -0.81 -4.76 120.40 120.26 1ug9 s VAL 743 Ca 0.32 1.57 -0.27 0.00 -2.93 0.00 0.00 61.98 60.68 1ug9 s VAL 743 Cb -0.05 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1ug9 s VAL 743 CO -0.09 -0.08 0.88 0.00 -3.33 0.00 0.00 175.10 172.48 1ug9 s ALA 744 N -1.88 3.45 0.21 1.54 0.00 -1.26 -1.09 121.76 122.72 1ug9 s ALA 744 Ca 0.55 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 1ug9 s ALA 744 Cb -0.14 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1ug9 s ALA 744 CO 0.18 -0.57 0.77 -0.51 0.00 0.00 0.00 175.76 175.63 1ug9 s LEU 745 N 1.93 4.44 -0.08 0.00 1.02 0.80 -4.92 118.68 121.89 1ug9 s LEU 745 Ca 0.42 1.55 0.12 0.00 0.02 0.00 0.00 54.13 56.24 1ug9 s LEU 745 Cb -0.17 -3.51 0.21 0.00 0.02 0.00 0.00 46.19 42.74 1ug9 s LEU 745 CO 0.15 0.10 1.10 0.35 0.02 0.00 0.00 176.35 178.07 1ug9 n THR 746 N 1.07 1.05 -3.84 5.49 -2.24 -1.26 -4.88 114.28 109.66 1ug9 n THR 746 Ca -0.03 -1.41 -0.04 0.00 -2.27 0.00 0.00 64.05 60.29 1ug9 n THR 746 Cb 0.50 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1ug9 n THR 746 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ug9 s GLY 747 N -2.14 0.08 0.22 3.38 0.00 -1.26 -5.02 107.32 102.58 1ug9 s GLY 747 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 1ug9 s GLY 747 CO -0.01 1.48 1.60 0.00 0.00 0.00 0.00 173.10 176.16 1ug9 h ALA 748 N 2.00 0.85 -3.23 3.20 0.00 -1.93 -3.36 119.26 116.79 1ug9 h ALA 748 Ca -0.27 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.60 1ug9 h ALA 748 Cb 1.23 -0.11 -0.35 0.00 0.00 0.00 0.00 17.79 18.55 1ug9 h ALA 748 CO 0.34 0.64 -0.84 0.21 0.00 0.00 0.00 179.25 179.60 1ug9 s LYS 749 N -4.31 2.38 -0.20 0.00 2.20 -1.26 -0.82 119.74 117.72 1ug9 s LYS 749 Ca -0.08 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1ug9 s LYS 749 Cb 0.12 -2.03 0.02 0.00 -1.51 0.00 0.00 37.83 34.43 1ug9 s LYS 749 CO 0.83 -0.08 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.80 1ug9 s ASN 750 N 1.03 3.67 -0.43 1.43 0.01 0.03 -4.98 114.94 115.69 1ug9 s ASN 750 Ca -0.05 -0.66 -0.22 0.00 -0.71 0.00 0.00 52.86 51.22 1ug9 s ASN 750 Cb -0.15 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 39.96 1ug9 s ASN 750 CO -0.03 -0.03 0.74 -0.75 -1.51 0.00 0.00 177.10 175.52 1ug9 s LYS 751 N 1.33 3.42 -0.18 -0.60 2.36 -1.26 -1.35 119.74 123.46 1ug9 s LYS 751 Ca 0.04 -0.12 -0.08 0.00 -2.55 0.00 0.00 55.97 53.26 1ug9 s LYS 751 Cb -0.14 -3.92 -0.04 0.00 -1.05 0.00 0.00 37.83 32.67 1ug9 s LYS 751 CO -0.09 -1.05 0.09 0.08 1.55 0.00 0.00 175.35 175.93 1ug9 s VAL 752 N 3.13 5.05 -0.12 4.02 1.01 0.14 -1.57 120.40 132.06 1ug9 s VAL 752 Ca 0.28 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1ug9 s VAL 752 Cb -0.13 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1ug9 s VAL 752 CO 0.21 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.75 1ug9 s THR 753 N 0.29 1.40 -0.21 3.92 2.01 0.25 -0.69 115.64 122.60 1ug9 s THR 753 Ca 0.06 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1ug9 s THR 753 Cb -0.12 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1ug9 s THR 753 CO -0.01 0.43 0.05 -0.69 -0.69 0.00 0.00 174.62 173.71 1ug9 s VAL 754 N 1.35 4.39 -0.09 3.82 1.01 0.24 -0.84 120.40 130.29 1ug9 s VAL 754 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1ug9 s VAL 754 Cb -0.13 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1ug9 s VAL 754 CO -0.07 0.40 -0.24 0.00 0.00 0.00 0.00 175.10 175.19 1ug9 s ALA 755 N 1.05 2.11 -0.08 5.51 0.00 0.19 -1.35 121.76 129.20 1ug9 s ALA 755 Ca 0.04 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1ug9 s ALA 755 Cb -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1ug9 s ALA 755 CO 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 175.76 176.07 1ug9 s ALA 756 N 0.23 3.15 -0.13 0.00 0.00 -0.52 -0.35 121.76 124.15 1ug9 s ALA 756 Ca -0.15 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ug9 s ALA 756 Cb -0.17 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1ug9 s ALA 756 CO 0.07 0.57 -0.17 0.08 0.00 0.00 0.00 175.76 176.32 1ug9 s VAL 757 N -0.83 1.67 0.73 0.00 1.01 0.14 -2.75 120.40 120.37 1ug9 s VAL 757 Ca 0.13 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1ug9 s VAL 757 Cb -0.11 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1ug9 s VAL 757 CO 0.02 0.48 1.11 0.00 0.00 0.00 0.00 175.10 176.71 1ug9 s ALA 758 N 1.13 2.84 0.60 5.51 0.00 -0.11 -1.26 121.76 130.48 1ug9 s ALA 758 Ca -0.02 -0.41 0.37 0.00 0.00 0.00 0.00 51.96 51.90 1ug9 s ALA 758 Cb -0.14 -3.01 2.10 0.00 0.00 0.00 0.00 23.12 22.07 1ug9 s ALA 758 CO -0.05 -1.26 2.30 0.00 0.00 0.00 0.00 175.76 176.75 1ug9 h ALA 759 N -0.74 1.23 -0.02 0.00 0.00 -1.93 -1.48 119.26 116.32 1ug9 h ALA 759 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ug9 h ALA 759 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ug9 h ALA 759 CO 0.64 0.01 -0.30 -0.40 0.00 0.00 0.00 179.25 179.20 1ug9 n ASP 760 N -3.42 2.23 0.00 0.00 5.75 -1.26 -4.96 116.55 114.88 1ug9 n ASP 760 Ca -0.03 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1ug9 n ASP 760 Cb 0.09 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1ug9 n ASP 760 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ug9 n GLY 761 N 1.38 0.47 3.75 6.12 0.00 -0.56 -4.96 105.19 111.41 1ug9 n GLY 761 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ug9 n GLY 761 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ug9 s GLY 762 N -1.70 2.17 0.26 -0.02 0.00 -1.26 -4.71 107.32 102.06 1ug9 s GLY 762 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1ug9 s GLY 762 CO 0.00 1.01 0.12 -0.51 0.00 0.00 0.00 173.10 173.73 1ug9 s THR 763 N -2.27 0.38 -0.01 0.90 -4.23 -1.26 -0.93 115.64 108.22 1ug9 s THR 763 Ca 0.69 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 1ug9 s THR 763 Cb -0.23 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1ug9 s THR 763 CO 0.44 0.00 0.23 0.00 -0.54 0.00 0.00 174.62 174.75 1ug9 s ALA 764 N -3.79 -0.56 0.07 3.99 0.00 -1.11 -4.33 121.76 116.03 1ug9 s ALA 764 Ca 0.37 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1ug9 s ALA 764 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1ug9 s ALA 764 CO 0.14 -0.23 -0.05 0.54 0.00 0.00 0.00 175.76 176.16 1ug9 s VAL 765 N -1.29 0.48 -0.16 0.00 0.11 -1.26 -1.44 120.40 116.84 1ug9 s VAL 765 Ca -0.14 -1.69 -0.08 0.00 -2.93 0.00 0.00 61.98 57.14 1ug9 s VAL 765 Cb -0.06 -1.36 0.06 0.00 -1.53 0.00 0.00 36.38 33.49 1ug9 s VAL 765 CO 0.03 -0.81 0.38 -1.61 -3.33 0.00 0.00 175.10 169.76 1ug9 s GLU 766 N -3.34 0.34 -0.00 1.54 0.41 -0.46 -4.99 118.70 112.20 1ug9 s GLU 766 Ca 0.05 0.79 0.00 0.00 -0.41 0.00 0.00 54.97 55.41 1ug9 s GLU 766 Cb 0.03 0.02 -0.04 0.00 -1.78 0.00 0.00 34.13 32.36 1ug9 s GLU 766 CO -0.05 -0.18 0.06 -0.51 -0.49 0.00 0.00 175.26 174.08 1ug9 s ASP 767 N 1.65 5.51 -0.05 -0.19 1.01 -1.26 -0.59 116.67 122.75 1ug9 s ASP 767 Ca -0.08 0.10 -0.10 0.00 0.71 0.00 0.00 52.55 53.18 1ug9 s ASP 767 Cb -0.09 -1.54 0.02 0.00 1.01 0.00 0.00 42.92 42.31 1ug9 s ASP 767 CO -0.12 0.27 0.23 -0.13 0.21 0.00 0.00 175.17 175.63 1ug9 s ARG 768 N -1.71 0.44 -0.15 8.23 3.00 0.13 -4.85 118.95 124.04 1ug9 s ARG 768 Ca 0.22 0.01 0.01 0.00 0.00 0.00 0.00 55.73 55.97 1ug9 s ARG 768 Cb -0.12 0.20 0.00 0.00 0.00 0.00 0.00 34.95 35.03 1ug9 s ARG 768 CO 0.13 -0.09 -0.17 0.99 0.00 0.00 0.00 175.30 176.15 1ug9 s THR 769 N -0.65 2.45 -0.14 0.02 2.01 0.17 0.27 115.64 119.78 1ug9 s THR 769 Ca -0.07 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1ug9 s THR 769 Cb -0.04 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1ug9 s THR 769 CO 0.02 0.52 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 1ug9 s VAL 770 N 0.88 1.75 0.01 3.82 1.01 -0.45 -1.44 120.40 125.97 1ug9 s VAL 770 Ca -0.05 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1ug9 s VAL 770 Cb -0.15 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1ug9 s VAL 770 CO -0.02 0.49 0.62 -0.76 0.00 0.00 0.00 175.10 175.43 1ug9 s LEU 771 N 1.12 4.43 -0.07 3.92 1.02 0.50 -0.79 118.68 128.80 1ug9 s LEU 771 Ca -0.02 1.21 0.05 0.00 0.02 0.00 0.00 54.13 55.39 1ug9 s LEU 771 Cb -0.14 -2.96 -0.01 0.00 0.02 0.00 0.00 46.19 43.10 1ug9 s LEU 771 CO -0.06 0.10 -0.24 -0.47 0.02 0.00 0.00 176.35 175.71 1ug9 s TYR 772 N -0.24 2.37 0.00 0.29 6.14 -0.00 -0.88 117.35 125.03 1ug9 s TYR 772 Ca 0.32 -0.78 0.00 0.00 0.64 0.00 0.00 57.07 57.25 1ug9 s TYR 772 Cb -0.19 -1.57 0.00 0.00 0.42 0.00 0.00 41.96 40.63 1ug9 s TYR 772 CO 0.18 -0.26 0.00 0.66 0.64 0.00 0.00 175.55 176.77 1ug9 n TYR 773 N 3.13 0.00 0.00 4.97 4.02 -1.26 -4.53 117.16 123.49 1ug9 n TYR 773 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1ug9 n TYR 773 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1ug9 n TYR 773 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ug9 n GLY 774 N 0.63 0.70 3.69 2.72 0.00 -1.26 -4.12 105.19 107.55 1ug9 n GLY 774 Ca 0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1ug9 n GLY 774 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug9 s SER 775 N -4.00 7.07 0.02 1.61 0.01 -1.06 -3.61 113.70 113.74 1ug9 s SER 775 Ca 0.00 1.31 -0.30 0.00 1.31 0.00 0.00 55.95 58.26 1ug9 s SER 775 Cb 0.00 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 1ug9 s SER 775 CO 0.00 -0.28 1.50 -0.60 0.41 0.00 0.00 173.24 174.27 1ug9 s ARG 776 N 1.48 4.24 -0.11 12.44 3.52 -0.27 -0.30 118.95 139.96 1ug9 s ARG 776 Ca 0.42 2.10 -0.28 0.00 -0.13 0.00 0.00 55.73 57.84 1ug9 s ARG 776 Cb -0.18 -3.62 -0.24 0.00 -1.56 0.00 0.00 34.95 29.36 1ug9 s ARG 776 CO 0.18 -0.65 0.89 0.82 -0.81 0.00 0.00 175.30 175.73 1ug9 h ILE 777 N 4.94 1.65 -2.11 4.11 1.08 -0.80 -3.47 117.51 122.91 1ug9 h ILE 777 Ca -0.39 -1.99 0.33 0.00 -0.39 0.00 0.00 64.86 62.41 1ug9 h ILE 777 Cb 1.18 3.00 -0.07 0.00 -3.07 0.00 0.00 36.82 37.86 1ug9 h ILE 777 CO 0.92 0.51 0.87 -0.83 -0.69 0.00 0.00 178.15 178.93 1ug9 s GLY 778 N -3.92 -0.13 0.13 5.37 0.00 -1.22 -4.47 107.32 103.08 1ug9 s GLY 778 Ca -0.18 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.51 1ug9 s GLY 778 CO 0.67 4.85 0.23 0.00 0.00 0.00 0.00 173.10 178.86 1ug9 s ALA 779 N -2.07 -0.07 0.01 3.20 0.00 -0.01 -1.93 121.76 120.88 1ug9 s ALA 779 Ca 0.27 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ug9 s ALA 779 Cb -0.00 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ug9 s ALA 779 CO -0.00 -0.58 -0.07 -0.51 0.00 0.00 0.00 175.76 174.61 1ug9 s LEU 780 N -2.92 2.06 0.32 0.00 1.43 0.55 -1.61 118.68 118.52 1ug9 s LEU 780 Ca 0.12 -0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1ug9 s LEU 780 Cb 0.04 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.92 1ug9 s LEU 780 CO -0.05 0.02 -0.07 -0.94 0.23 0.00 0.00 176.35 175.54 1ug9 s SER 781 N -0.43 3.96 -0.28 2.29 1.04 -1.26 -0.74 113.70 118.28 1ug9 s SER 781 Ca 0.00 -1.02 -0.20 0.00 0.48 0.00 0.00 55.95 55.21 1ug9 s SER 781 Cb -0.04 -0.46 0.08 0.00 0.10 0.00 0.00 66.02 65.70 1ug9 s SER 781 CO -0.00 -0.14 0.75 -0.62 0.98 0.00 0.00 173.24 174.21 1ug9 s ASP 782 N -3.64 -0.81 0.96 7.02 -1.08 -0.95 -4.82 116.67 113.36 1ug9 s ASP 782 Ca 0.33 1.39 -0.11 0.00 -0.52 0.00 0.00 52.55 53.64 1ug9 s ASP 782 Cb -0.01 1.37 0.17 0.00 -1.46 0.00 0.00 42.92 42.99 1ug9 s ASP 782 CO 0.18 -0.23 1.10 -2.16 0.52 0.00 0.00 175.17 174.58 1ug9 s PRO 783 N 1.07 0.67 0.34 4.34 0.04 -1.26 -4.11 135.00 136.08 1ug9 s PRO 783 Ca -0.05 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1ug9 s PRO 783 Cb -0.05 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1ug9 s PRO 783 CO -0.11 -2.75 0.51 0.00 0.04 0.00 0.00 177.00 174.69 1ug9 s ALA 784 N -2.69 3.90 -1.01 8.56 0.00 -1.26 -4.30 121.76 124.96 1ug9 s ALA 784 Ca 0.66 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1ug9 s ALA 784 Cb -0.22 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1ug9 s ALA 784 CO 0.59 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1ug9 n GLY 785 N -1.71 0.01 0.11 0.00 0.00 -1.26 -4.87 105.19 97.46 1ug9 n GLY 785 Ca -0.04 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1ug9 n GLY 785 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ug9 n ASP 786 N -0.18 1.05 -3.22 1.61 2.03 -1.26 -4.80 116.55 111.78 1ug9 n ASP 786 Ca -0.14 -1.03 -0.23 0.00 0.52 0.00 0.00 54.79 53.92 1ug9 n ASP 786 Cb 0.59 0.85 -0.02 0.00 -0.72 0.00 0.00 41.12 41.82 1ug9 n ASP 786 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ug9 n ASP 787 N -1.04 4.42 -0.74 1.67 5.75 -1.26 -3.99 116.55 121.36 1ug9 n ASP 787 Ca 0.04 -2.35 -0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1ug9 n ASP 787 Cb 0.29 -1.07 -0.00 0.00 -1.03 0.00 0.00 41.12 39.31 1ug9 n ASP 787 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1ug9 n ASN 788 N 4.63 0.07 0.00 -1.12 2.04 -0.58 -4.87 115.26 115.44 1ug9 n ASN 788 Ca 0.43 -1.73 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 1ug9 n ASN 788 Cb 0.16 -0.11 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 1ug9 n ASN 788 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ug9 n GLY 789 N 0.09 3.03 0.00 4.83 0.00 0.19 -0.20 105.19 113.14 1ug9 n GLY 789 Ca -0.02 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1ug9 n GLY 789 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug9 n PRO 790 N 13.41 0.68 0.00 1.61 -0.04 -1.26 -4.72 135.00 144.68 1ug9 n PRO 790 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ug9 n PRO 790 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1ug9 n PRO 790 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 791 N 0.34 1.54 0.00 0.55 0.00 -0.48 -4.52 105.19 102.63 1ug9 n GLY 791 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ug9 n GLY 791 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ug9 n THR 792 N -0.70 0.04 -2.74 2.61 5.66 -0.32 -5.01 114.28 113.81 1ug9 n THR 792 Ca 0.00 -0.06 -0.31 0.00 -3.05 0.00 0.00 64.05 60.62 1ug9 n THR 792 Cb 0.00 1.45 -0.04 0.00 -1.55 0.00 0.00 70.33 70.19 1ug9 n THR 792 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1ug9 s TYR 793 N -0.04 3.45 -0.02 1.09 4.12 0.73 -4.33 117.35 122.34 1ug9 s TYR 793 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 57.07 58.34 1ug9 s TYR 793 Cb 0.00 -2.58 -0.00 0.00 -1.52 0.00 0.00 41.96 37.86 1ug9 s TYR 793 CO 0.00 -0.17 -0.11 1.03 0.02 0.00 0.00 175.55 176.33 1ug9 s ARG 794 N -3.79 1.08 0.78 -0.62 0.52 -0.50 -4.64 118.95 111.77 1ug9 s ARG 794 Ca 0.54 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.24 1ug9 s ARG 794 Cb -0.10 -1.00 0.07 0.00 0.52 0.00 0.00 34.95 34.44 1ug9 s ARG 794 CO 0.29 0.16 1.22 0.71 0.02 0.00 0.00 175.30 177.70 1ug9 s TYR 795 N 0.07 1.83 0.05 -0.53 1.51 -1.26 -2.96 117.35 116.06 1ug9 s TYR 795 Ca -0.02 1.65 -0.31 0.00 -1.01 0.00 0.00 57.07 57.38 1ug9 s TYR 795 Cb -0.08 -3.52 -0.06 0.00 -0.11 0.00 0.00 41.96 38.19 1ug9 s TYR 795 CO 0.01 -2.87 1.34 -1.25 -1.11 0.00 0.00 175.55 171.66 1ug9 s PRO 796 N -4.03 4.33 0.50 -1.71 0.04 -1.25 -4.84 135.00 128.04 1ug9 s PRO 796 Ca 0.75 1.95 0.39 0.00 0.04 0.00 0.00 61.00 64.12 1ug9 s PRO 796 Cb -0.30 -3.42 1.56 0.00 0.04 0.00 0.00 34.50 32.38 1ug9 s PRO 796 CO 0.49 -0.46 1.64 1.79 0.04 0.00 0.00 177.00 180.50 1ug9 h THR 797 N 4.62 0.13 -2.34 1.26 1.35 -1.52 -3.43 112.91 112.97 1ug9 h THR 797 Ca -0.40 -0.02 -0.61 0.00 -0.55 0.00 0.00 66.41 64.84 1ug9 h THR 797 Cb 1.20 0.08 0.13 0.00 -1.73 0.00 0.00 68.15 67.83 1ug9 h THR 797 CO 0.87 0.01 -0.20 -3.20 -0.25 0.00 0.00 175.52 172.75 1ug9 n ASN 798 N -4.32 -0.06 -0.05 5.36 2.85 -1.02 -4.86 115.26 113.17 1ug9 n ASN 798 Ca 0.38 1.02 0.06 0.00 -0.11 0.00 0.00 54.58 55.93 1ug9 n ASN 798 Cb 1.62 -1.18 0.43 0.00 1.24 0.00 0.00 39.78 41.90 1ug9 n ASN 798 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1ug9 h SER 799 N 1.22 0.47 -0.89 1.20 4.64 -1.92 -2.74 113.55 115.53 1ug9 h SER 799 Ca -0.39 -0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.18 1ug9 h SER 799 Cb 1.38 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1ug9 h SER 799 CO 0.55 0.32 0.64 0.00 -0.87 0.00 0.00 176.83 177.48 1ug9 h ALA 800 N 1.71 2.83 -1.31 5.18 0.00 -1.92 -3.22 119.26 122.53 1ug9 h ALA 800 Ca 0.21 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.35 1ug9 h ALA 800 Cb 0.15 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 1ug9 h ALA 800 CO -0.05 -1.09 1.71 0.66 0.00 0.00 0.00 179.25 180.48 1ug9 n TYR 801 N -4.27 4.38 -1.69 0.00 4.02 -1.04 -5.00 117.16 113.56 1ug9 n TYR 801 Ca 0.18 -3.14 -0.38 0.00 -0.01 0.00 0.00 57.90 54.55 1ug9 n TYR 801 Cb 0.96 -2.21 0.05 0.00 -0.02 0.00 0.00 39.34 38.12 1ug9 n TYR 801 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ug9 n VAL 802 N 4.54 3.82 -1.73 -0.72 0.31 -1.22 -4.91 118.33 118.43 1ug9 n VAL 802 Ca 0.40 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1ug9 n VAL 802 Cb 0.41 -1.44 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1ug9 n VAL 802 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ug9 n PRO 803 N -1.02 2.33 -0.95 5.55 -0.04 -1.26 -2.10 135.00 137.51 1ug9 n PRO 803 Ca 0.12 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1ug9 n PRO 803 Cb 0.45 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1ug9 n PRO 803 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 804 N 0.69 0.63 0.31 0.55 0.00 -1.26 -4.10 105.19 102.01 1ug9 n GLY 804 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1ug9 n GLY 804 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 h ALA 805 N 0.00 1.90 -0.31 4.61 0.00 -1.74 -0.34 119.26 123.37 1ug9 h ALA 805 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ug9 h ALA 805 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ug9 h ALA 805 CO 0.00 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.50 1ug9 n PHE 806 N -4.49 1.14 -3.45 0.00 3.72 -1.26 -4.85 117.46 108.26 1ug9 n PHE 806 Ca 0.03 -0.85 -0.43 0.00 -0.05 0.00 0.00 57.45 56.15 1ug9 n PHE 806 Cb 0.16 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.27 1ug9 n PHE 806 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ug9 s ASP 807 N -1.74 5.99 0.18 4.37 3.68 -0.56 -4.57 116.67 124.02 1ug9 s ASP 807 Ca 0.44 -1.42 -0.30 0.00 2.13 0.00 0.00 52.55 53.41 1ug9 s ASP 807 Cb 0.35 -2.12 -0.08 0.00 -1.45 0.00 0.00 42.92 39.62 1ug9 s ASP 807 CO 0.10 -0.63 1.01 -0.76 0.13 0.00 0.00 175.17 175.02 1ug9 s LEU 808 N 1.57 4.54 -0.00 -1.34 1.43 -1.26 -0.59 118.68 123.03 1ug9 s LEU 808 Ca 0.04 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1ug9 s LEU 808 Cb -0.24 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 1ug9 s LEU 808 CO 0.05 -0.05 0.01 0.35 0.23 0.00 0.00 176.35 176.94 1ug9 n THR 809 N 2.16 0.00 0.00 5.49 -2.24 0.24 -4.50 114.28 115.42 1ug9 n THR 809 Ca 0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1ug9 n THR 809 Cb 0.47 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1ug9 n THR 809 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug9 n GLY 810 N 1.37 0.61 2.66 3.38 0.00 -1.02 -2.23 105.19 109.96 1ug9 n GLY 810 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1ug9 n GLY 810 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ug9 s VAL 811 N -2.00 -0.04 -0.05 1.61 1.01 0.08 -0.54 120.40 120.47 1ug9 s VAL 811 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1ug9 s VAL 811 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ug9 s VAL 811 CO 0.00 -0.01 -0.24 -1.81 0.00 0.00 0.00 175.10 173.04 1ug9 s ASP 812 N 2.13 2.98 -0.08 3.32 1.11 -0.25 -0.33 116.67 125.56 1ug9 s ASP 812 Ca 0.04 -0.49 0.02 0.00 0.18 0.00 0.00 52.55 52.30 1ug9 s ASP 812 Cb -0.14 -0.75 -0.02 0.00 1.07 0.00 0.00 42.92 43.08 1ug9 s ASP 812 CO -0.06 0.25 -0.13 -0.69 1.18 0.00 0.00 175.17 175.72 1ug9 s VAL 813 N -0.21 3.14 0.05 -1.27 1.01 -0.81 -0.39 120.40 121.91 1ug9 s VAL 813 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1ug9 s VAL 813 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1ug9 s VAL 813 CO 0.03 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.25 1ug9 s TYR 814 N -0.41 1.19 -0.50 5.22 1.51 -0.11 -0.05 117.35 124.22 1ug9 s TYR 814 Ca 0.05 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.48 1ug9 s TYR 814 Cb -0.12 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1ug9 s TYR 814 CO 0.02 0.04 0.82 0.34 -1.11 0.00 0.00 175.55 175.66 1ug9 s ASP 815 N -1.39 6.36 -0.64 2.29 3.68 0.59 0.41 116.67 127.98 1ug9 s ASP 815 Ca -0.00 -0.31 0.01 0.00 2.13 0.00 0.00 52.55 54.38 1ug9 s ASP 815 Cb -0.09 -2.39 0.39 0.00 -1.45 0.00 0.00 42.92 39.38 1ug9 s ASP 815 CO 0.02 -1.03 1.59 0.00 0.13 0.00 0.00 175.17 175.87 1ug9 n ALA 816 N 6.93 5.81 0.00 3.66 0.00 0.29 -2.57 120.51 134.63 1ug9 n ALA 816 Ca 0.01 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1ug9 n ALA 816 Cb 0.48 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1ug9 n ALA 816 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug9 n GLY 817 N -0.54 1.77 0.47 0.00 0.00 -1.26 -3.40 105.19 102.22 1ug9 n GLY 817 Ca 0.47 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1ug9 n GLY 817 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ug9 n ASP 818 N 5.60 1.71 -4.32 1.61 8.00 -1.26 -4.94 116.55 122.95 1ug9 n ASP 818 Ca 0.00 -1.36 -0.17 0.00 0.71 0.00 0.00 54.79 53.98 1ug9 n ASP 818 Cb 0.00 0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 1ug9 n ASP 818 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ug9 s ASP 819 N -2.33 1.86 -0.17 -2.24 1.11 -1.22 -1.42 116.67 112.25 1ug9 s ASP 819 Ca 0.26 -1.18 -0.05 0.00 0.18 0.00 0.00 52.55 51.76 1ug9 s ASP 819 Cb 0.19 -0.00 -0.03 0.00 1.07 0.00 0.00 42.92 44.15 1ug9 s ASP 819 CO 0.47 -0.47 -0.01 -0.31 1.18 0.00 0.00 175.17 176.03 1ug9 s TYR 820 N -3.39 3.06 -0.55 4.23 4.12 0.83 -0.55 117.35 125.10 1ug9 s TYR 820 Ca 0.26 -0.29 -0.18 0.00 0.02 0.00 0.00 57.07 56.88 1ug9 s TYR 820 Cb 0.05 -2.01 0.10 0.00 -1.52 0.00 0.00 41.96 38.58 1ug9 s TYR 820 CO 0.07 -0.07 0.60 0.00 0.02 0.00 0.00 175.55 176.17 1ug9 s ALA 821 N 0.55 3.50 -0.49 3.71 0.00 0.17 -1.30 121.76 127.90 1ug9 s ALA 821 Ca -0.02 -2.26 -0.20 0.00 0.00 0.00 0.00 51.96 49.48 1ug9 s ALA 821 Cb -0.14 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1ug9 s ALA 821 CO 0.02 -2.14 0.68 -0.06 0.00 0.00 0.00 175.76 174.26 1ug9 s PHE 822 N 2.22 3.02 -0.29 0.00 0.40 -0.74 -0.93 117.98 121.65 1ug9 s PHE 822 Ca 0.08 -0.27 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 1ug9 s PHE 822 Cb -0.25 -3.54 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 1ug9 s PHE 822 CO 0.06 -1.02 0.14 0.08 0.70 0.00 0.00 175.22 175.18 1ug9 s VAL 823 N 2.90 4.64 -0.11 -0.44 1.01 0.48 -1.08 120.40 127.80 1ug9 s VAL 823 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1ug9 s VAL 823 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1ug9 s VAL 823 CO 0.16 0.16 0.13 0.00 0.00 0.00 0.00 175.10 175.55 1ug9 s ALA 824 N 1.64 3.82 -0.07 5.51 0.00 -0.18 -1.09 121.76 131.38 1ug9 s ALA 824 Ca 0.05 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1ug9 s ALA 824 Cb -0.16 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 1ug9 s ALA 824 CO 0.06 0.62 -0.23 0.99 0.00 0.00 0.00 175.76 177.21 1ug9 s THR 825 N -1.03 1.94 0.22 0.00 2.01 0.30 -0.90 115.64 118.18 1ug9 s THR 825 Ca 0.15 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.28 1ug9 s THR 825 Cb -0.12 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1ug9 s THR 825 CO 0.05 0.54 -0.20 0.27 -0.69 0.00 0.00 174.62 174.58 1ug9 s ILE 826 N 0.12 2.19 0.22 1.82 -4.36 -0.93 0.80 121.20 121.07 1ug9 s ILE 826 Ca -0.11 -2.15 0.04 0.00 -0.26 0.00 0.00 60.65 58.17 1ug9 s ILE 826 Cb -0.16 -2.10 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 1ug9 s ILE 826 CO 0.06 -0.31 1.53 0.00 0.24 0.00 0.00 174.94 176.45 1ug9 h ALA 827 N 2.84 0.79 -4.13 2.27 0.00 -0.95 -3.46 119.26 116.62 1ug9 h ALA 827 Ca -0.42 -0.58 -0.44 0.00 0.00 0.00 0.00 54.91 53.47 1ug9 h ALA 827 Cb 1.23 -0.08 0.16 0.00 0.00 0.00 0.00 17.79 19.09 1ug9 h ALA 827 CO 0.54 0.76 0.37 0.41 0.00 0.00 0.00 179.25 181.34 1ug9 n GLY 828 N 0.38 -1.17 3.75 0.00 0.00 -0.24 -4.92 105.19 102.98 1ug9 n GLY 828 Ca -0.03 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1ug9 n GLY 828 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug9 s GLU 829 N -5.79 4.53 -0.66 1.61 2.12 -1.26 -4.85 118.70 114.40 1ug9 s GLU 829 Ca 0.74 1.12 -0.27 0.00 0.36 0.00 0.00 54.97 56.92 1ug9 s GLU 829 Cb -0.02 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1ug9 s GLU 829 CO 0.52 0.31 1.35 0.08 -0.54 0.00 0.00 175.26 176.98 1ug9 s VAL 830 N -0.19 3.75 0.21 3.70 1.01 -1.26 -4.82 120.40 122.79 1ug9 s VAL 830 Ca 0.39 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.97 1ug9 s VAL 830 Cb -0.21 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1ug9 s VAL 830 CO 0.24 -1.53 0.13 -0.89 0.00 0.00 0.00 175.10 173.05 1ug9 s THR 831 N 6.02 4.29 -0.43 3.92 2.01 -1.26 -4.82 115.64 125.36 1ug9 s THR 831 Ca 0.43 -1.32 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1ug9 s THR 831 Cb -0.09 -3.24 0.25 0.00 0.01 0.00 0.00 72.50 69.43 1ug9 s THR 831 CO 0.19 -0.22 0.70 -3.20 -0.69 0.00 0.00 174.62 171.41 1ug9 n ASN 832 N -0.68 -1.18 0.06 3.53 4.05 -1.26 -3.74 115.26 116.04 1ug9 n ASN 832 Ca -0.08 -3.00 -0.20 0.00 0.45 0.00 0.00 54.58 51.75 1ug9 n ASN 832 Cb 0.56 0.49 -0.15 0.00 1.23 0.00 0.00 39.78 41.92 1ug9 n ASN 832 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ug9 h PRO 833 N 3.92 0.32 -0.08 1.20 0.13 -1.94 -3.31 132.00 132.24 1ug9 h PRO 833 Ca -0.03 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1ug9 h PRO 833 Cb 0.95 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ug9 h PRO 833 CO 0.40 1.26 0.00 0.91 -0.23 0.00 0.00 178.00 180.33 1ug9 n TRP 834 N -4.09 0.00 -3.49 1.56 5.03 -1.26 -4.83 117.44 110.36 1ug9 n TRP 834 Ca -0.14 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.20 1ug9 n TRP 834 Cb 0.84 -0.01 0.07 0.00 -1.03 0.00 0.00 31.31 31.18 1ug9 n TRP 834 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1ug9 n GLY 835 N -0.04 -0.54 1.05 6.99 0.00 -1.25 -5.03 105.19 106.37 1ug9 n GLY 835 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 1ug9 n GLY 835 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 836 N -1.31 2.15 3.53 -0.02 0.00 -1.26 -5.02 105.19 103.26 1ug9 n GLY 836 Ca -0.24 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 1ug9 n GLY 836 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ug9 s GLN 837 N -2.69 3.18 0.00 1.61 0.74 0.60 -4.42 119.66 118.69 1ug9 s GLN 837 Ca 0.15 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1ug9 s GLN 837 Cb -0.01 -4.21 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1ug9 s GLN 837 CO 0.09 -2.08 0.00 0.00 -0.55 0.00 0.00 175.29 172.75 1ug9 n ALA 838 N 9.01 0.00 -2.45 1.58 0.00 -1.26 -4.32 120.51 123.07 1ug9 n ALA 838 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1ug9 n ALA 838 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 1ug9 n ALA 838 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ug9 s ILE 839 N 0.00 0.87 0.00 0.00 -0.00 -1.26 -4.46 121.20 116.34 1ug9 s ILE 839 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 1ug9 s ILE 839 Cb 0.00 -2.60 0.00 0.00 -0.00 0.00 0.00 42.46 39.86 1ug9 s ILE 839 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 174.94 173.74 1ug9 n SER 840 N -0.88 0.67 0.04 4.36 7.64 -1.25 -4.03 113.62 120.17 1ug9 n SER 840 Ca -0.03 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.85 1ug9 n SER 840 Cb 0.66 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.78 1ug9 n SER 840 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ug9 n HIS 841 N -2.56 0.99 -3.04 1.43 8.25 -1.26 -4.66 115.22 114.37 1ug9 n HIS 841 Ca 0.00 0.33 -0.38 0.00 -0.26 0.00 0.00 57.72 57.41 1ug9 n HIS 841 Cb 0.28 -1.08 -0.06 0.00 1.12 0.00 0.00 29.99 30.25 1ug9 n HIS 841 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1ug9 s GLN 842 N -2.95 4.40 -0.39 -0.41 1.11 -1.26 -1.53 119.66 118.63 1ug9 s GLN 842 Ca -0.03 1.01 0.03 0.00 0.01 0.00 0.00 55.36 56.38 1ug9 s GLN 842 Cb 0.09 -3.05 0.16 0.00 -1.01 0.00 0.00 33.01 29.20 1ug9 s GLN 842 CO 0.81 0.47 0.34 0.50 0.01 0.00 0.00 175.29 177.42 1ug9 s ARG 843 N -1.60 0.74 0.12 2.91 3.52 0.00 -4.34 118.95 120.30 1ug9 s ARG 843 Ca 0.40 -1.45 -0.12 0.00 -0.13 0.00 0.00 55.73 54.43 1ug9 s ARG 843 Cb -0.20 -1.08 -0.06 0.00 -1.56 0.00 0.00 34.95 32.05 1ug9 s ARG 843 CO 0.23 -1.28 0.48 0.54 -0.81 0.00 0.00 175.30 174.46 1ug9 s VAL 844 N 0.80 4.97 -0.01 7.11 0.11 -1.04 0.02 120.40 132.36 1ug9 s VAL 844 Ca 0.24 0.62 0.08 0.00 -2.93 0.00 0.00 61.98 59.98 1ug9 s VAL 844 Cb -0.10 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 1ug9 s VAL 844 CO -0.08 0.23 -0.25 0.20 -3.33 0.00 0.00 175.10 171.88 1ug9 s ASN 845 N -1.81 3.19 -0.32 3.54 0.02 0.12 -1.66 114.94 118.03 1ug9 s ASN 845 Ca 0.37 -0.45 -0.01 0.00 -1.02 0.00 0.00 52.86 51.74 1ug9 s ASN 845 Cb -0.14 -0.39 0.10 0.00 0.02 0.00 0.00 41.25 40.84 1ug9 s ASN 845 CO 0.19 0.31 0.11 -0.63 0.02 0.00 0.00 177.10 177.11 1ug9 s ILE 846 N -0.65 0.80 -0.24 0.60 1.01 -0.71 -1.62 121.20 120.38 1ug9 s ILE 846 Ca 0.10 -1.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.06 1ug9 s ILE 846 Cb -0.10 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1ug9 s ILE 846 CO -0.00 -0.70 0.97 -0.31 0.00 0.00 0.00 174.94 174.89 1ug9 s TYR 847 N 1.57 3.31 -0.16 3.97 2.02 -0.40 -1.14 117.35 126.53 1ug9 s TYR 847 Ca 0.10 1.33 -0.06 0.00 -0.37 0.00 0.00 57.07 58.08 1ug9 s TYR 847 Cb -0.18 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1ug9 s TYR 847 CO -0.24 -0.48 0.03 -0.51 -1.57 0.00 0.00 175.55 172.78 1ug9 s LEU 848 N 3.12 3.64 0.00 -1.29 1.43 0.54 -1.59 118.68 124.53 1ug9 s LEU 848 Ca 0.41 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1ug9 s LEU 848 Cb -0.15 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ug9 s LEU 848 CO 0.07 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1ug9 n GLY 849 N 3.26 3.49 0.13 -3.19 0.00 0.52 -0.50 105.19 108.90 1ug9 n GLY 849 Ca -0.17 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1ug9 n GLY 849 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ug9 n LYS 850 N 0.00 1.22 -2.76 1.61 5.02 -1.26 -0.79 118.16 121.19 1ug9 n LYS 850 Ca 0.00 -1.53 -0.10 0.00 -2.02 0.00 0.00 58.31 54.66 1ug9 n LYS 850 Cb 0.00 -0.95 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1ug9 n LYS 850 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ug9 n GLY 851 N -0.58 0.23 3.87 0.72 0.00 -1.26 -4.87 105.19 103.29 1ug9 n GLY 851 Ca 0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1ug9 n GLY 851 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ug9 s GLU 852 N -5.27 3.20 2.87 1.61 2.02 -1.26 -4.94 118.70 116.92 1ug9 s GLU 852 Ca 0.19 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1ug9 s GLU 852 Cb -0.08 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1ug9 s GLU 852 CO 0.23 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.48 1ug9 n GLY 853 N 0.01 0.13 0.00 -1.39 0.00 -1.26 -1.04 105.19 101.65 1ug9 n GLY 853 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ug9 n GLY 853 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 854 N 0.00 5.21 3.60 -0.02 0.00 -1.26 -4.70 105.19 108.01 1ug9 n GLY 854 Ca 0.00 -1.59 -0.62 0.00 0.00 0.00 0.00 46.02 43.81 1ug9 n GLY 854 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 n ALA 855 N -3.00 -2.74 -3.71 4.61 0.00 -1.19 -3.72 120.51 110.76 1ug9 n ALA 855 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 1ug9 n ALA 855 Cb 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 1ug9 n ALA 855 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ug9 s THR 856 N 1.15 0.11 0.48 0.00 2.01 -0.67 -4.92 115.64 113.80 1ug9 s THR 856 Ca 0.96 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 1ug9 s THR 856 Cb -1.35 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 1ug9 s THR 856 CO 0.66 0.20 1.13 -0.81 -0.69 0.00 0.00 174.62 175.11 1ug9 n PRO 857 N 5.01 1.48 -0.20 4.92 -0.04 -1.26 0.61 135.00 145.51 1ug9 n PRO 857 Ca -0.09 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1ug9 n PRO 857 Cb 0.50 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1ug9 n PRO 857 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 858 N 1.03 -0.13 3.57 0.55 0.00 0.79 -4.74 105.19 106.27 1ug9 n GLY 858 Ca 0.10 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 1ug9 n GLY 858 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ug9 n LEU 859 N 0.00 1.58 0.00 0.99 4.77 -1.26 -4.91 117.00 118.17 1ug9 n LEU 859 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1ug9 n LEU 859 Cb 0.00 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1ug9 n LEU 859 CO 0.00 -2.66 0.00 -0.81 -1.33 0.00 0.00 177.39 172.59 1ug9 n PRO 860 N -3.88 0.00 0.00 3.23 -0.04 -1.26 -2.49 135.00 130.56 1ug9 n PRO 860 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ug9 n PRO 860 Cb 0.53 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1ug9 n PRO 860 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug9 n GLY 861 N 0.00 0.00 0.19 0.55 0.00 -0.61 -3.22 105.19 102.10 1ug9 n GLY 861 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ug9 n GLY 861 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ug9 h THR 862 N 0.00 1.27 -3.58 2.61 2.02 -1.73 -3.45 112.91 110.06 1ug9 h THR 862 Ca 0.00 -1.06 -0.29 0.00 0.77 0.00 0.00 66.41 65.83 1ug9 h THR 862 Cb 0.00 1.33 0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1ug9 h THR 862 CO 0.00 0.34 -0.45 0.59 0.37 0.00 0.00 175.52 176.37 1ug9 n ASN 863 N -4.49 -4.93 -3.91 4.18 5.03 -1.20 -2.65 115.26 107.29 1ug9 n ASN 863 Ca -0.03 -0.24 -0.08 0.00 0.87 0.00 0.00 54.58 55.10 1ug9 n ASN 863 Cb 0.30 -3.73 -0.08 0.00 -1.02 0.00 0.00 39.78 35.25 1ug9 n ASN 863 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1ug9 s ILE 864 N -3.04 0.16 0.24 2.41 -4.36 -1.26 -4.03 121.20 111.31 1ug9 s ILE 864 Ca 0.26 -1.34 0.11 0.00 -0.26 0.00 0.00 60.65 59.42 1ug9 s ILE 864 Cb -0.11 -1.39 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 1ug9 s ILE 864 CO 0.32 -0.73 -0.15 0.20 0.24 0.00 0.00 174.94 174.82 1ug9 s ASN 865 N -2.88 3.87 0.18 4.36 0.01 0.11 -0.15 114.94 120.45 1ug9 s ASN 865 Ca 0.06 -0.82 0.06 0.00 -0.71 0.00 0.00 52.86 51.44 1ug9 s ASN 865 Cb 0.06 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 1ug9 s ASN 865 CO -0.11 0.07 0.11 -0.76 -1.51 0.00 0.00 177.10 174.89 1ug9 s LEU 866 N -3.20 3.67 0.25 0.60 2.01 0.20 0.04 118.68 122.26 1ug9 s LEU 866 Ca 0.27 -0.22 -0.03 0.00 0.01 0.00 0.00 54.13 54.16 1ug9 s LEU 866 Cb -0.07 -2.28 0.45 0.00 0.01 0.00 0.00 46.19 44.30 1ug9 s LEU 866 CO 0.15 0.06 1.77 -0.08 1.01 0.00 0.00 176.35 179.26 1ug9 h GLU 867 N 2.37 0.62 -4.78 1.70 4.81 -0.86 -1.78 114.58 116.66 1ug9 h GLU 867 Ca -0.47 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 58.35 1ug9 h GLU 867 Cb 1.21 -0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 1ug9 h GLU 867 CO 0.62 0.41 -0.56 -1.01 -0.73 0.00 0.00 179.01 177.74 1ug9 s HIS 868 N -6.01 1.48 0.91 0.92 3.76 -1.25 -3.14 115.29 111.97 1ug9 s HIS 868 Ca -0.12 -1.47 -0.10 0.00 -0.15 0.00 0.00 55.06 53.22 1ug9 s HIS 868 Cb 0.20 -0.70 0.14 0.00 1.11 0.00 0.00 32.58 33.34 1ug9 s HIS 868 CO 0.77 -0.68 1.13 0.00 -0.85 0.00 0.00 174.74 175.11 1ug9 s ALA 869 N -3.77 1.45 0.02 -1.40 0.00 -0.20 -4.58 121.76 113.28 1ug9 s ALA 869 Ca 0.39 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1ug9 s ALA 869 Cb 0.05 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1ug9 s ALA 869 CO 0.19 -2.67 -0.06 1.67 0.00 0.00 0.00 175.76 174.88 1ug9 s TRP 870 N -2.69 0.50 -0.11 0.00 1.48 -1.26 -4.39 118.94 112.47 1ug9 s TRP 870 Ca 0.66 -0.37 0.16 0.00 -1.06 0.00 0.00 56.10 55.49 1ug9 s TRP 870 Cb -0.22 -0.31 -0.15 0.00 -1.16 0.00 0.00 33.47 31.63 1ug9 s TRP 870 CO 0.58 -0.08 0.80 -0.25 -4.06 0.00 0.00 176.95 173.94 1ug9 n ASP 871 N 1.95 0.85 -3.49 -2.66 10.43 0.34 -4.73 116.55 119.24 1ug9 n ASP 871 Ca -0.20 0.38 -0.09 0.00 2.57 0.00 0.00 54.79 57.45 1ug9 n ASP 871 Cb 0.56 0.15 -0.02 0.00 1.84 0.00 0.00 41.12 43.64 1ug9 n ASP 871 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1ug9 s SER 872 N -5.80 -0.40 0.03 -2.24 1.04 -1.19 -4.33 113.70 100.80 1ug9 s SER 872 Ca -0.03 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1ug9 s SER 872 Cb 0.09 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ug9 s SER 872 CO 0.81 -0.68 -0.17 0.54 0.98 0.00 0.00 173.24 174.73 1ug9 s VAL 873 N -3.19 1.33 -0.28 5.02 0.11 -0.37 -0.34 120.40 122.68 1ug9 s VAL 873 Ca 0.04 -0.97 -0.10 0.00 -2.93 0.00 0.00 61.98 58.03 1ug9 s VAL 873 Cb -0.01 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1ug9 s VAL 873 CO -0.09 0.17 0.16 -0.63 -3.33 0.00 0.00 175.10 171.37 1ug9 s ILE 874 N -0.69 4.93 -0.33 7.04 1.01 -0.29 -0.97 121.20 131.91 1ug9 s ILE 874 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1ug9 s ILE 874 Cb -0.08 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1ug9 s ILE 874 CO 0.01 0.23 0.16 -0.69 0.00 0.00 0.00 174.94 174.65 1ug9 s VAL 875 N 1.70 4.53 -0.71 2.92 1.01 0.13 -1.74 120.40 128.24 1ug9 s VAL 875 Ca 0.06 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1ug9 s VAL 875 Cb -0.16 -3.37 0.18 0.00 0.00 0.00 0.00 36.38 33.03 1ug9 s VAL 875 CO 0.08 -0.01 0.65 -0.89 0.00 0.00 0.00 175.10 174.94 1ug9 s THR 876 N 1.59 5.42 -0.05 3.92 2.01 -0.66 -2.12 115.64 125.74 1ug9 s THR 876 Ca 0.04 -2.08 -0.02 0.00 0.31 0.00 0.00 61.69 59.93 1ug9 s THR 876 Cb -0.18 -4.40 0.03 0.00 0.01 0.00 0.00 72.50 67.97 1ug9 s THR 876 CO 0.06 -0.96 0.06 -0.62 -0.69 0.00 0.00 174.62 172.47 1ug9 s ASP 877 N 2.72 1.28 0.00 3.53 -1.08 -1.26 -2.51 116.67 119.36 1ug9 s ASP 877 Ca 0.12 0.00 0.26 0.00 -0.52 0.00 0.00 52.55 52.41 1ug9 s ASP 877 Cb -0.18 -0.17 1.01 0.00 -1.46 0.00 0.00 42.92 42.12 1ug9 s ASP 877 CO -0.04 -0.26 1.72 0.61 0.52 0.00 0.00 175.17 177.72 1ug9 n GLY 878 N 5.29 0.02 3.88 2.66 0.00 -1.26 -3.10 105.19 112.68 1ug9 n GLY 878 Ca -0.04 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1ug9 n GLY 878 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ug9 s ARG 879 N -1.95 3.43 -1.70 1.61 6.06 -1.26 -0.29 118.95 124.85 1ug9 s ARG 879 Ca 0.37 -0.19 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 1ug9 s ARG 879 Cb 0.20 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 32.05 1ug9 s ARG 879 CO 0.32 0.75 0.00 1.19 -2.50 0.00 0.00 175.30 175.06 1ug9 n PHE 880 N 1.67 -0.45 -3.67 5.12 0.99 -1.26 -1.94 117.46 117.92 1ug9 n PHE 880 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.04 1ug9 n PHE 880 Cb 0.54 -3.11 0.06 0.00 -1.00 0.00 0.00 39.48 35.98 1ug9 n PHE 880 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ug9 n ASP 881 N -1.17 -4.67 -1.80 4.37 2.03 -1.26 -4.88 116.55 109.16 1ug9 n ASP 881 Ca -0.18 -0.65 0.07 0.00 0.52 0.00 0.00 54.79 54.55 1ug9 n ASP 881 Cb 0.58 -4.63 0.39 0.00 -0.72 0.00 0.00 41.12 36.74 1ug9 n ASP 881 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ug9 n GLY 882 N -1.74 3.15 3.83 0.27 0.00 -0.82 -4.95 105.19 104.93 1ug9 n GLY 882 Ca -0.07 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1ug9 n GLY 882 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 883 N -2.80 3.73 0.00 4.61 0.00 -1.18 -4.52 121.76 121.60 1ug9 s ALA 883 Ca 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1ug9 s ALA 883 Cb 0.41 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1ug9 s ALA 883 CO 0.15 0.73 0.00 0.41 0.00 0.00 0.00 175.76 177.05 1ug9 n GLY 884 N 0.91 -0.37 3.44 0.00 0.00 -0.90 -4.31 105.19 103.96 1ug9 n GLY 884 Ca -0.11 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1ug9 n GLY 884 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ug9 s VAL 885 N -2.36 3.72 0.20 1.61 0.11 -0.60 -0.69 120.40 122.40 1ug9 s VAL 885 Ca 0.00 -0.40 0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1ug9 s VAL 885 Cb 0.00 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1ug9 s VAL 885 CO 0.00 0.46 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.80 1ug9 s TYR 886 N 0.75 2.56 0.42 1.54 2.02 -0.14 0.23 117.35 124.72 1ug9 s TYR 886 Ca -0.02 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1ug9 s TYR 886 Cb -0.14 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1ug9 s TYR 886 CO 0.02 0.53 0.65 0.00 -1.57 0.00 0.00 175.55 175.18 1ug9 s ALA 887 N -1.79 3.66 0.02 3.71 0.00 0.09 -1.24 121.76 126.21 1ug9 s ALA 887 Ca 0.25 -0.91 0.13 0.00 0.00 0.00 0.00 51.96 51.43 1ug9 s ALA 887 Cb -0.08 -2.21 0.72 0.00 0.00 0.00 0.00 23.12 21.54 1ug9 s ALA 887 CO 0.15 -0.26 1.30 -0.35 0.00 0.00 0.00 175.76 176.59 1ug9 n PRO 888 N -2.02 0.09 -0.59 0.00 -0.04 -1.26 -0.88 135.00 130.30 1ug9 n PRO 888 Ca -0.01 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 1ug9 n PRO 888 Cb 0.57 -2.10 0.32 0.00 -0.04 0.00 0.00 33.50 32.26 1ug9 n PRO 888 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ug9 n ASP 889 N -2.06 4.42 0.00 3.54 5.75 -1.26 -4.93 116.55 122.01 1ug9 n ASP 889 Ca -0.01 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 1ug9 n ASP 889 Cb 0.32 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1ug9 n ASP 889 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ug9 n GLY 890 N 0.96 2.55 3.76 6.12 0.00 -0.06 -5.02 105.19 113.51 1ug9 n GLY 890 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1ug9 n GLY 890 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ug9 s THR 891 N -2.34 2.86 -0.32 2.61 2.01 -1.26 -4.77 115.64 114.43 1ug9 s THR 891 Ca 0.00 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 62.64 1ug9 s THR 891 Cb 0.00 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1ug9 s THR 891 CO 0.00 0.19 0.61 -0.60 -0.69 0.00 0.00 174.62 174.14 1ug9 s ARG 892 N -1.55 3.81 0.06 4.92 3.52 -1.26 -0.73 118.95 127.71 1ug9 s ARG 892 Ca 0.49 0.17 0.25 0.00 -0.13 0.00 0.00 55.73 56.51 1ug9 s ARG 892 Cb -0.38 -3.76 0.47 0.00 -1.56 0.00 0.00 34.95 29.72 1ug9 s ARG 892 CO 0.50 -0.62 1.40 0.25 -0.81 0.00 0.00 175.30 176.02 1ug9 n THR 893 N 5.45 0.18 -3.55 4.11 -2.24 0.13 -4.94 114.28 113.42 1ug9 n THR 893 Ca -0.02 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1ug9 n THR 893 Cb 0.49 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1ug9 n THR 893 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ug9 s SER 894 N -3.62 -0.44 0.33 3.42 0.15 -1.14 -4.97 113.70 107.43 1ug9 s SER 894 Ca 0.09 0.38 -0.08 0.00 0.70 0.00 0.00 55.95 57.03 1ug9 s SER 894 Cb 0.16 0.38 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1ug9 s SER 894 CO 0.70 -0.47 0.65 0.00 1.20 0.00 0.00 173.24 175.32 1ug9 s ALA 895 N -1.58 3.48 0.23 5.45 0.00 -1.26 -1.55 121.76 126.53 1ug9 s ALA 895 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1ug9 s ALA 895 Cb -0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1ug9 s ALA 895 CO 0.01 0.19 -0.02 0.14 0.00 0.00 0.00 175.76 176.08 1ug9 s VAL 896 N -2.15 1.13 -0.08 0.00 -7.23 -1.26 -4.64 120.40 106.17 1ug9 s VAL 896 Ca 0.48 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1ug9 s VAL 896 Cb -0.11 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1ug9 s VAL 896 CO 0.28 -0.35 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.08 1ug9 s SER 897 N -3.31 3.49 -0.07 4.85 0.01 -0.96 -4.85 113.70 112.86 1ug9 s SER 897 Ca 0.28 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.14 1ug9 s SER 897 Cb 0.05 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 1ug9 s SER 897 CO 0.08 0.24 -0.10 -0.76 0.41 0.00 0.00 173.24 173.11 1ug9 s LEU 898 N -0.11 2.97 -0.03 2.44 1.43 -1.26 -0.23 118.68 123.89 1ug9 s LEU 898 Ca -0.04 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1ug9 s LEU 898 Cb -0.14 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1ug9 s LEU 898 CO 0.04 0.33 0.00 -0.22 0.23 0.00 0.00 176.35 176.73 1ug9 s LEU 899 N -0.61 1.24 -0.17 1.79 2.96 0.40 -4.67 118.68 119.62 1ug9 s LEU 899 Ca 0.09 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 1ug9 s LEU 899 Cb -0.11 -0.19 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 1ug9 s LEU 899 CO 0.02 -0.09 0.15 0.00 -1.32 0.00 0.00 176.35 175.10 1ug9 s ALA 900 N 0.92 3.73 -0.61 5.97 0.00 -1.26 -0.29 121.76 130.22 1ug9 s ALA 900 Ca -0.09 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1ug9 s ALA 900 Cb -0.12 -2.14 0.21 0.00 0.00 0.00 0.00 23.12 21.07 1ug9 s ALA 900 CO -0.02 0.27 0.58 0.28 0.00 0.00 0.00 175.76 176.87 1ug9 n VAL 901 N 3.12 1.29 -0.30 0.00 0.31 -0.80 -4.98 118.33 116.97 1ug9 n VAL 901 Ca -0.17 -4.73 0.10 0.00 -0.01 0.00 0.00 64.34 59.54 1ug9 n VAL 901 Cb 0.53 -2.06 0.27 0.00 -0.91 0.00 0.00 33.84 31.66 1ug9 n VAL 901 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ug9 h PRO 902 N 4.79 0.47 -0.82 5.55 0.13 -1.88 -0.79 132.00 139.46 1ug9 h PRO 902 Ca 0.17 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.45 1ug9 h PRO 902 Cb 0.75 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.72 1ug9 h PRO 902 CO 0.69 0.31 0.54 1.05 -0.23 0.00 0.00 178.00 180.37 1ug9 h GLU 903 N 0.49 0.39 -0.29 0.86 4.11 -1.95 0.81 114.58 119.00 1ug9 h GLU 903 Ca 0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ug9 h GLU 903 Cb 0.87 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ug9 h GLU 903 CO -0.46 0.26 0.00 0.00 0.07 0.00 0.00 179.01 178.88 1ug9 n ALA 904 N -2.53 2.40 -3.88 1.06 0.00 -0.39 -4.96 120.51 112.20 1ug9 n ALA 904 Ca 0.16 -0.92 -0.28 0.00 0.00 0.00 0.00 53.44 52.40 1ug9 n ALA 904 Cb 0.61 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.37 1ug9 n ALA 904 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ug9 n ARG 905 N 1.18 -5.06 -4.33 0.00 1.74 0.28 -4.86 116.66 105.61 1ug9 n ARG 905 Ca 0.15 0.57 -0.24 0.00 -0.77 0.00 0.00 57.85 57.57 1ug9 n ARG 905 Cb 0.52 -5.31 -0.08 0.00 -1.02 0.00 0.00 32.46 26.57 1ug9 n ARG 905 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ug9 s GLN 906 N -6.47 2.12 -0.17 5.56 -0.21 -0.85 -2.18 119.66 117.46 1ug9 s GLN 906 Ca 0.45 -1.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.34 1ug9 s GLN 906 Cb -0.23 -2.08 0.06 0.00 1.00 0.00 0.00 33.01 31.76 1ug9 s GLN 906 CO 0.84 0.37 0.05 0.42 -2.12 0.00 0.00 175.29 174.85 1ug9 s ILE 907 N -2.23 0.28 -0.16 1.08 1.01 -0.08 -1.91 121.20 119.19 1ug9 s ILE 907 Ca 0.30 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1ug9 s ILE 907 Cb -0.07 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 1ug9 s ILE 907 CO 0.18 -0.18 0.19 -0.69 0.00 0.00 0.00 174.94 174.44 1ug9 s VAL 908 N 1.97 5.39 -0.26 2.92 1.01 0.61 -1.01 120.40 131.03 1ug9 s VAL 908 Ca 0.01 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1ug9 s VAL 908 Cb -0.16 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1ug9 s VAL 908 CO -0.08 0.47 -0.10 -0.89 0.00 0.00 0.00 175.10 174.50 1ug9 s THR 909 N 0.03 2.09 -0.22 3.92 2.01 -0.24 -0.45 115.64 122.77 1ug9 s THR 909 Ca 0.12 -1.60 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 1ug9 s THR 909 Cb -0.12 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1ug9 s THR 909 CO 0.01 -0.05 0.84 -0.13 -0.69 0.00 0.00 174.62 174.60 1ug9 s ARG 910 N 1.14 4.22 -0.24 4.92 3.00 0.68 -1.79 118.95 130.86 1ug9 s ARG 910 Ca -0.08 0.98 0.01 0.00 0.00 0.00 0.00 55.73 56.64 1ug9 s ARG 910 Cb -0.20 -3.63 0.04 0.00 0.00 0.00 0.00 34.95 31.17 1ug9 s ARG 910 CO -0.05 -0.47 -0.11 0.08 0.00 0.00 0.00 175.30 174.74 1ug9 s VAL 911 N 2.68 2.36 0.09 3.52 1.01 -0.42 -2.25 120.40 127.39 1ug9 s VAL 911 Ca 0.36 -1.32 -0.34 0.00 0.00 0.00 0.00 61.98 60.68 1ug9 s VAL 911 Cb -0.16 -2.25 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 1ug9 s VAL 911 CO 0.08 0.15 1.61 -0.81 0.00 0.00 0.00 175.10 176.13 1ug9 n PRO 912 N 4.54 1.99 -0.32 2.72 -0.04 -1.26 -0.12 135.00 142.52 1ug9 n PRO 912 Ca -0.16 0.72 0.18 0.00 -0.04 0.00 0.00 63.50 64.20 1ug9 n PRO 912 Cb 0.45 -2.49 0.36 0.00 -0.04 0.00 0.00 33.50 31.79 1ug9 n PRO 912 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ug9 h LYS 913 N 6.39 0.11 0.00 0.54 1.57 -1.54 0.68 116.57 124.32 1ug9 h LYS 913 Ca -0.46 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ug9 h LYS 913 Cb 1.27 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ug9 h LYS 913 CO 0.89 0.07 -0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1ug9 h ALA 914 N 1.89 1.00 0.00 3.86 0.00 -1.88 -1.75 119.26 122.39 1ug9 h ALA 914 Ca 0.64 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ug9 h ALA 914 Cb 1.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ug9 h ALA 914 CO -0.76 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 178.47 1ug9 h ALA 915 N 2.00 1.90 -2.68 0.00 0.00 0.05 -3.17 119.26 117.36 1ug9 h ALA 915 Ca -0.00 -0.02 -0.78 0.00 0.00 0.00 0.00 54.91 54.11 1ug9 h ALA 915 Cb 0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.52 1ug9 h ALA 915 CO 0.00 0.03 0.28 -0.51 0.00 0.00 0.00 179.25 179.04 1ug9 s LEU 916 N -8.83 6.31 -0.14 0.00 1.43 -0.66 -4.90 118.68 111.89 1ug9 s LEU 916 Ca -0.05 -3.38 -0.06 0.00 -1.03 0.00 0.00 54.13 49.61 1ug9 s LEU 916 Cb 0.17 -2.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1ug9 s LEU 916 CO 0.66 -0.34 1.04 0.61 0.23 0.00 0.00 176.35 178.54 1ug9 n GLY 917 N 2.97 -0.02 2.99 -3.19 0.00 -1.20 -2.41 105.19 104.33 1ug9 n GLY 917 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ug9 n GLY 917 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 918 N 4.44 2.84 3.57 -0.02 0.00 -1.26 -4.98 105.19 109.78 1ug9 n GLY 918 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ug9 n GLY 918 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ug9 s LEU 919 N 0.00 3.40 -0.31 0.99 2.96 -1.01 -4.96 118.68 119.74 1ug9 s LEU 919 Ca 0.00 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 1ug9 s LEU 919 Cb 0.00 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.68 1ug9 s LEU 919 CO 0.00 -1.85 1.11 -0.62 -1.32 0.00 0.00 176.35 173.66 1ug9 s ASP 920 N 5.52 6.91 0.66 3.68 3.68 -1.26 -4.87 116.67 130.99 1ug9 s ASP 920 Ca 0.60 1.09 0.37 0.00 2.13 0.00 0.00 52.55 56.75 1ug9 s ASP 920 Cb -0.13 -2.54 2.04 0.00 -1.45 0.00 0.00 42.92 40.84 1ug9 s ASP 920 CO 0.26 -0.90 2.17 1.55 0.13 0.00 0.00 175.17 178.38 1ug9 h PRO 921 N 8.22 0.00 -0.19 4.34 0.13 -1.93 -1.54 132.00 141.02 1ug9 h PRO 921 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1ug9 h PRO 921 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1ug9 h PRO 921 CO 1.03 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.74 1ug9 h ALA 922 N 1.72 1.55 0.00 -0.56 0.00 -1.92 -3.20 119.26 116.86 1ug9 h ALA 922 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ug9 h ALA 922 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ug9 h ALA 922 CO -0.00 0.32 -0.09 0.25 0.00 0.00 0.00 179.25 179.74 1ug9 n THR 923 N -4.32 1.16 -3.40 0.00 -2.24 -0.64 -4.82 114.28 100.01 1ug9 n THR 923 Ca -0.00 -1.34 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 1ug9 n THR 923 Cb 0.23 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1ug9 n THR 923 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ug9 s ALA 924 N -1.63 3.65 0.08 6.98 0.00 -0.83 -4.96 121.76 125.05 1ug9 s ALA 924 Ca 0.15 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1ug9 s ALA 924 Cb 0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1ug9 s ALA 924 CO 0.01 0.31 0.31 1.03 0.00 0.00 0.00 175.76 177.42 1ug9 s ARG 925 N -3.42 3.58 0.00 0.00 1.81 0.03 -4.39 118.95 116.56 1ug9 s ARG 925 Ca 0.43 -0.14 -0.17 0.00 -1.72 0.00 0.00 55.73 54.14 1ug9 s ARG 925 Cb -0.11 -2.97 0.03 0.00 -0.45 0.00 0.00 34.95 31.45 1ug9 s ARG 925 CO 0.29 0.56 0.37 0.00 -0.68 0.00 0.00 175.30 175.83 1ug9 s MET 926 N -2.30 0.78 -0.08 3.54 0.23 0.25 -0.35 119.30 121.37 1ug9 s MET 926 Ca 0.35 -0.23 0.03 0.00 -1.03 0.00 0.00 55.69 54.81 1ug9 s MET 926 Cb -0.13 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1ug9 s MET 926 CO 0.22 -0.24 -0.19 -1.12 -2.03 0.00 0.00 175.02 171.67 1ug9 s SER 927 N -1.58 3.59 -0.15 -1.18 0.01 -0.62 -0.43 113.70 113.33 1ug9 s SER 927 Ca -0.10 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1ug9 s SER 927 Cb -0.03 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1ug9 s SER 927 CO 0.02 0.24 -0.18 -0.69 0.41 0.00 0.00 173.24 173.04 1ug9 s VAL 928 N -0.09 1.84 0.01 3.43 1.01 -1.26 -1.28 120.40 124.07 1ug9 s VAL 928 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1ug9 s VAL 928 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1ug9 s VAL 928 CO 0.04 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 1ug9 s ALA 929 N 1.19 0.59 -0.22 5.51 0.00 -0.64 -1.82 121.76 126.37 1ug9 s ALA 929 Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1ug9 s ALA 929 Cb -0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1ug9 s ALA 929 CO -0.08 0.10 0.05 1.41 0.00 0.00 0.00 175.76 177.23 1ug9 s MET 930 N -0.61 3.69 0.34 0.00 1.75 -0.38 0.15 119.30 124.24 1ug9 s MET 930 Ca -0.01 -0.47 0.07 0.00 -1.25 0.00 0.00 55.69 54.03 1ug9 s MET 930 Cb -0.05 -3.22 -0.07 0.00 2.84 0.00 0.00 34.83 34.33 1ug9 s MET 930 CO 0.00 -0.04 -0.02 -0.06 -0.65 0.00 0.00 175.02 174.25 1ug9 s PHE 931 N 1.20 2.23 -0.19 4.11 0.40 0.10 -0.96 117.98 124.87 1ug9 s PHE 931 Ca 0.04 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 1ug9 s PHE 931 Cb -0.14 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1ug9 s PHE 931 CO 0.03 0.34 0.19 0.20 0.70 0.00 0.00 175.22 176.68 1ug9 s GLY 932 N -3.57 2.08 0.72 4.36 0.00 -1.26 -0.82 107.32 108.84 1ug9 s GLY 932 Ca 0.33 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 1ug9 s GLY 932 CO 0.16 0.28 1.15 0.21 0.00 0.00 0.00 173.10 174.89 1ug9 s ASN 933 N 0.49 4.48 0.16 1.64 3.84 -0.58 0.39 114.94 125.36 1ug9 s ASN 933 Ca 0.11 2.15 -0.23 0.00 0.21 0.00 0.00 52.86 55.10 1ug9 s ASN 933 Cb -0.12 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.08 1ug9 s ASN 933 CO 0.01 -2.06 0.63 0.00 -2.79 0.00 0.00 177.10 172.88 1ug9 s ALA 934 N -2.27 -1.58 0.61 1.71 0.00 -0.89 -4.14 121.76 115.21 1ug9 s ALA 934 Ca 0.69 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1ug9 s ALA 934 Cb -0.24 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1ug9 s ALA 934 CO 0.46 -0.79 1.04 -1.21 0.00 0.00 0.00 175.76 175.26 1ug9 s GLU 935 N -3.73 3.34 0.22 0.00 2.02 -1.26 -4.32 118.70 114.97 1ug9 s GLU 935 Ca 0.02 1.08 -0.09 0.00 0.02 0.00 0.00 54.97 56.01 1ug9 s GLU 935 Cb -0.01 -2.04 0.35 0.00 0.10 0.00 0.00 34.13 32.53 1ug9 s GLU 935 CO -0.11 -0.78 1.68 0.66 0.02 0.00 0.00 175.26 176.73 1ug9 h SER 936 N 0.19 -0.12 0.00 -0.19 4.64 -1.96 0.84 113.55 116.95 1ug9 h SER 936 Ca -0.46 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ug9 h SER 936 Cb 1.21 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ug9 h SER 936 CO 0.58 -0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1ug9 n GLY 937 N -1.35 -0.65 0.00 -0.77 0.00 -1.26 -2.21 105.19 98.94 1ug9 n GLY 937 Ca 0.11 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1ug9 n GLY 937 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug9 n GLU 938 N -0.62 2.97 0.00 1.61 1.02 0.28 -5.02 120.64 120.87 1ug9 n GLU 938 Ca 0.04 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ug9 n GLU 938 Cb 0.02 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1ug9 n GLU 938 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ug9 n GLY 939 N 1.35 3.41 3.77 0.62 0.00 -0.94 -4.56 105.19 108.85 1ug9 n GLY 939 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1ug9 n GLY 939 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ug9 s ILE 940 N -1.06 2.19 0.00 -0.61 -4.36 -0.69 -2.87 121.20 113.81 1ug9 s ILE 940 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 60.65 60.58 1ug9 s ILE 940 Cb 0.00 -3.12 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1ug9 s ILE 940 CO 0.00 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1ug9 n GLY 941 N 0.55 0.53 3.29 6.27 0.00 -1.26 -1.57 105.19 113.00 1ug9 n GLY 941 Ca 0.02 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1ug9 n GLY 941 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug9 n ASN 942 N 0.09 -5.71 -4.16 1.61 3.02 -1.14 -4.75 115.26 104.22 1ug9 n ASN 942 Ca 0.00 -0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 53.76 1ug9 n ASN 942 Cb 0.00 -4.37 -0.16 0.00 -0.61 0.00 0.00 39.78 34.65 1ug9 n ASN 942 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ug9 s VAL 943 N -3.27 2.30 -0.30 2.41 1.01 -1.25 -2.09 120.40 119.22 1ug9 s VAL 943 Ca 0.50 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1ug9 s VAL 943 Cb -0.22 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1ug9 s VAL 943 CO 0.62 0.52 1.65 -0.60 0.00 0.00 0.00 175.10 177.29 1ug9 s ARG 944 N 1.24 3.58 0.80 2.72 3.52 0.16 -4.47 118.95 126.50 1ug9 s ARG 944 Ca 0.03 1.44 -0.11 0.00 -0.13 0.00 0.00 55.73 56.96 1ug9 s ARG 944 Cb -0.14 -4.10 0.08 0.00 -1.56 0.00 0.00 34.95 29.23 1ug9 s ARG 944 CO -0.10 -1.56 1.12 -1.25 -0.81 0.00 0.00 175.30 172.71 1ug9 s PRO 945 N 5.10 1.92 -0.15 5.12 0.04 -1.26 -4.61 135.00 141.16 1ug9 s PRO 945 Ca 0.73 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1ug9 s PRO 945 Cb -0.22 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1ug9 s PRO 945 CO 0.32 -1.93 -0.04 0.08 0.04 0.00 0.00 177.00 175.46 1ug9 s VAL 946 N -2.66 3.83 0.48 -0.36 1.01 -1.26 -2.91 120.40 118.53 1ug9 s VAL 946 Ca 0.65 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1ug9 s VAL 946 Cb -0.21 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1ug9 s VAL 946 CO 0.54 0.50 0.28 -0.31 0.00 0.00 0.00 175.10 176.11 1ug9 s TYR 947 N 0.35 2.10 0.45 5.22 1.51 -0.38 -4.20 117.35 122.41 1ug9 s TYR 947 Ca -0.05 -0.73 -0.23 0.00 -1.01 0.00 0.00 57.07 55.05 1ug9 s TYR 947 Cb -0.14 -1.93 -0.10 0.00 -0.11 0.00 0.00 41.96 39.68 1ug9 s TYR 947 CO 0.03 -0.14 0.94 -3.47 -1.11 0.00 0.00 175.55 171.81 1ug9 n ASP 948 N -1.51 0.91 0.06 2.29 4.64 0.91 -0.56 116.55 123.30 1ug9 n ASP 948 Ca -0.03 0.98 -0.03 0.00 -1.38 0.00 0.00 54.79 54.34 1ug9 n ASP 948 Cb 0.64 -1.33 -0.02 0.00 -1.04 0.00 0.00 41.12 39.38 1ug9 n ASP 948 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1ug9 h GLY 949 N 1.30 -0.48 0.28 0.27 0.00 -1.82 -0.22 103.07 102.39 1ug9 h GLY 949 Ca -0.45 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.20 1ug9 h GLY 949 CO 0.55 -0.17 0.21 0.00 0.00 0.00 0.00 176.54 177.13 1ug9 h ALA 950 N -1.77 0.81 -0.42 3.60 0.00 -1.96 0.47 119.26 119.98 1ug9 h ALA 950 Ca -0.02 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ug9 h ALA 950 Cb 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1ug9 h ALA 950 CO 0.01 -0.23 -0.00 -0.92 0.00 0.00 0.00 179.25 178.11 1ug9 h TYR 951 N 0.37 -0.03 -0.16 0.00 3.20 -1.94 0.20 116.97 118.61 1ug9 h TYR 951 Ca 0.33 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1ug9 h TYR 951 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1ug9 h TYR 951 CO -0.19 -0.09 0.05 2.35 -1.64 0.00 0.00 178.16 178.63 1ug9 h TRP 952 N 0.10 0.25 -0.96 -3.82 7.01 0.11 -2.93 115.95 115.72 1ug9 h TRP 952 Ca 0.21 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.23 1ug9 h TRP 952 Cb 0.30 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1ug9 h TRP 952 CO -0.28 0.36 0.63 1.49 -2.79 0.00 0.00 178.44 177.84 1ug9 h GLU 953 N 0.07 1.13 -0.49 2.65 4.57 -0.44 -1.90 114.58 120.18 1ug9 h GLU 953 Ca 0.05 -0.07 0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1ug9 h GLU 953 Cb 0.23 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ug9 h GLU 953 CO -0.00 0.75 0.35 0.00 -1.18 0.00 0.00 179.01 178.93 1ug9 h ALA 954 N 1.46 2.43 -5.42 2.92 0.00 -0.42 -3.47 119.26 116.75 1ug9 h ALA 954 Ca 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1ug9 h ALA 954 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ug9 h ALA 954 CO -0.14 -0.56 -0.56 0.41 0.00 0.00 0.00 179.25 178.40 1ug9 n GLY 955 N -1.63 -1.16 3.15 0.00 0.00 -0.71 -5.05 105.19 99.79 1ug9 n GLY 955 Ca 0.09 1.23 0.05 0.00 0.00 0.00 0.00 46.02 47.39 1ug9 n GLY 955 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ug9 s ASP 956 N -2.51 -0.46 1.38 1.61 -4.77 -1.26 -4.53 116.67 106.13 1ug9 s ASP 956 Ca 0.25 0.14 -0.23 0.00 -3.30 0.00 0.00 52.55 49.41 1ug9 s ASP 956 Cb -0.06 1.33 0.35 0.00 -1.09 0.00 0.00 42.92 43.44 1ug9 s ASP 956 CO 0.78 -0.08 1.00 -2.16 0.70 0.00 0.00 175.17 175.40 1ug9 s PRO 957 N 2.95 -2.60 0.24 2.11 0.04 -1.26 -4.99 135.00 131.50 1ug9 s PRO 957 Ca 0.15 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.15 1ug9 s PRO 957 Cb -0.05 -1.43 0.27 0.00 0.04 0.00 0.00 34.50 33.32 1ug9 s PRO 957 CO -0.18 -4.62 1.60 0.00 0.04 0.00 0.00 177.00 173.84 1ug9 h ALA 958 N -3.23 0.89 0.00 8.56 0.00 -1.99 -3.21 119.26 120.29 1ug9 h ALA 958 Ca -0.41 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ug9 h ALA 958 Cb 1.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ug9 h ALA 958 CO 0.26 0.66 -0.01 0.11 0.00 0.00 0.00 179.25 180.27 1ug9 h TRP 959 N 0.30 0.00 0.38 0.00 5.08 -1.96 -2.37 115.95 117.39 1ug9 h TRP 959 Ca 0.01 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 1ug9 h TRP 959 Cb 0.97 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1ug9 h TRP 959 CO 0.03 0.01 -0.18 0.82 -1.28 0.00 0.00 178.44 177.84 1ug9 h ILE 960 N 0.00 0.62 0.00 0.12 1.08 -1.93 0.78 117.51 118.18 1ug9 h ILE 960 Ca -0.00 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1ug9 h ILE 960 Cb 0.42 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1ug9 h ILE 960 CO 0.00 0.05 -0.02 0.50 -0.69 0.00 0.00 178.15 178.00 1ug9 h LYS 961 N -0.68 0.00 0.00 2.37 3.64 -1.73 -1.63 116.57 118.54 1ug9 h LYS 961 Ca -0.05 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.09 1ug9 h LYS 961 Cb 0.48 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1ug9 h LYS 961 CO 0.09 0.02 -1.89 -1.91 -2.27 0.00 0.00 179.45 173.49 1ug9 n GLU 962 N -3.11 0.65 0.00 1.90 2.13 -0.89 -2.10 120.64 119.22 1ug9 n GLU 962 Ca 0.03 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1ug9 n GLU 962 Cb 0.47 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1ug9 n GLU 962 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1ug9 n TRP 963 N -2.77 0.00 -4.32 4.31 7.02 0.27 -2.44 117.44 119.51 1ug9 n TRP 963 Ca -0.18 -0.25 -0.17 0.00 -1.02 0.00 0.00 57.50 55.88 1ug9 n TRP 963 Cb 0.95 -0.03 -0.10 0.00 -2.42 0.00 0.00 31.31 29.71 1ug9 n TRP 963 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1ug9 s ARG 964 N -0.51 1.31 0.37 -0.99 1.81 -0.61 -4.94 118.95 115.38 1ug9 s ARG 964 Ca 0.00 -1.65 -0.12 0.00 -1.72 0.00 0.00 55.73 52.24 1ug9 s ARG 964 Cb 0.00 -0.61 -0.08 0.00 -0.45 0.00 0.00 34.95 33.81 1ug9 s ARG 964 CO 0.00 -0.08 0.75 -0.06 -0.68 0.00 0.00 175.30 175.23 1ug9 s PHE 965 N -3.41 3.43 0.23 -0.53 0.08 -1.14 -3.91 117.98 112.72 1ug9 s PHE 965 Ca 0.27 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.45 1ug9 s PHE 965 Cb 0.05 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 1ug9 s PHE 965 CO 0.08 -0.01 0.10 0.20 -0.10 0.00 0.00 175.22 175.48 1ug9 s GLY 966 N -2.76 1.61 0.00 4.36 0.00 -1.16 -1.25 107.32 108.13 1ug9 s GLY 966 Ca 0.52 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1ug9 s GLY 966 CO 0.25 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.42 1ug9 n GLY 967 N -0.39 0.95 0.00 0.20 0.00 -0.79 -1.41 105.19 103.74 1ug9 n GLY 967 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ug9 n GLY 967 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug9 n GLY 968 N -2.07 0.63 3.57 -0.02 0.00 0.28 -4.46 105.19 103.12 1ug9 n GLY 968 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ug9 n GLY 968 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug9 s ALA 969 N -3.02 -1.85 0.00 4.61 0.00 -1.20 -4.25 121.76 116.06 1ug9 s ALA 969 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ug9 s ALA 969 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1ug9 s ALA 969 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1ug9 n GLY 970 N 1.31 1.16 3.54 0.00 0.00 -1.26 -3.63 105.19 106.30 1ug9 n GLY 970 Ca -0.15 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 1ug9 n GLY 970 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ug9 s VAL 971 N -2.79 2.03 0.68 1.61 -7.23 -1.26 -0.06 120.40 113.38 1ug9 s VAL 971 Ca 0.00 -2.13 -0.17 0.00 -1.81 0.00 0.00 61.98 57.88 1ug9 s VAL 971 Cb 0.00 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1ug9 s VAL 971 CO 0.00 -0.15 1.22 0.12 -0.31 0.00 0.00 175.10 175.98 1ug9 s PHE 972 N -2.73 2.17 -0.27 2.82 2.19 -1.26 -1.47 117.98 119.42 1ug9 s PHE 972 Ca 0.33 1.55 -0.03 0.00 0.33 0.00 0.00 56.93 59.12 1ug9 s PHE 972 Cb 0.05 -3.51 0.16 0.00 -1.31 0.00 0.00 43.02 38.41 1ug9 s PHE 972 CO 0.16 -2.53 0.52 0.34 1.83 0.00 0.00 175.22 175.54 1ug9 s ASP 973 N -1.82 -0.76 0.00 6.13 3.68 -0.86 -4.76 116.67 118.29 1ug9 s ASP 973 Ca 0.76 0.72 0.31 0.00 2.13 0.00 0.00 52.55 56.47 1ug9 s ASP 973 Cb -0.31 1.78 1.78 0.00 -1.45 0.00 0.00 42.92 44.72 1ug9 s ASP 973 CO 0.41 -0.27 2.14 0.61 0.13 0.00 0.00 175.17 178.19 1ug9 n GLY 974 N 5.41 -1.01 0.14 2.66 0.00 -1.26 -3.80 105.19 107.33 1ug9 n GLY 974 Ca -0.03 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1ug9 n GLY 974 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ug9 h THR 975 N 0.00 1.01 -2.94 2.61 1.35 -1.97 -3.47 112.91 109.50 1ug9 h THR 975 Ca 0.00 -2.49 -0.53 0.00 -0.55 0.00 0.00 66.41 62.84 1ug9 h THR 975 Cb 0.04 2.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 1ug9 h THR 975 CO 0.00 0.81 -0.28 0.27 -0.25 0.00 0.00 175.52 176.07 1ug9 s ILE 976 N -2.54 5.15 0.64 6.82 -0.00 -1.25 -5.00 121.20 125.02 1ug9 s ILE 976 Ca -0.17 -0.25 0.38 0.00 -0.00 0.00 0.00 60.65 60.62 1ug9 s ILE 976 Cb 0.05 -3.73 0.40 0.00 -0.00 0.00 0.00 42.46 39.18 1ug9 s ILE 976 CO 0.83 -0.22 2.29 1.55 -0.00 0.00 0.00 174.94 179.40 1ug9 h PRO 977 N 1.91 0.00 0.00 0.37 0.13 -1.91 -2.10 132.00 130.40 1ug9 h PRO 977 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ug9 h PRO 977 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ug9 h PRO 977 CO 0.67 0.00 -0.35 0.66 -0.23 0.00 0.00 178.00 178.76 1ug9 h SER 978 N 0.00 0.00 -0.07 1.44 4.64 -1.94 -1.84 113.55 115.78 1ug9 h SER 978 Ca 0.01 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ug9 h SER 978 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1ug9 h SER 978 CO -0.00 0.03 -0.02 0.54 -0.87 0.00 0.00 176.83 176.51 1ug9 n ARG 979 N -2.54 -1.96 -4.93 4.77 5.12 -0.79 -4.58 116.66 111.75 1ug9 n ARG 979 Ca 0.03 0.47 -0.28 0.00 -1.93 0.00 0.00 57.85 56.15 1ug9 n ARG 979 Cb 0.48 -4.72 -0.16 0.00 -1.16 0.00 0.00 32.46 26.90 1ug9 n ARG 979 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1ug9 s ASP 980 N -1.79 2.39 0.00 0.55 -1.08 -1.26 -2.03 116.67 113.45 1ug9 s ASP 980 Ca 0.00 -0.40 0.30 0.00 -0.52 0.00 0.00 52.55 51.93 1ug9 s ASP 980 Cb 0.00 -0.75 1.53 0.00 -1.46 0.00 0.00 42.92 42.24 1ug9 s ASP 980 CO 0.00 0.16 2.03 0.35 0.52 0.00 0.00 175.17 178.23 1ug9 n THR 981 N 3.21 0.00 -3.46 1.71 -2.24 -0.54 -4.64 114.28 108.32 1ug9 n THR 981 Ca -0.19 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1ug9 n THR 981 Cb 0.53 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 1ug9 n THR 981 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ug9 s ASP 982 N -2.21 -0.02 -0.07 3.42 3.68 -1.26 -4.89 116.67 115.32 1ug9 s ASP 982 Ca 0.38 0.55 0.13 0.00 2.13 0.00 0.00 52.55 55.75 1ug9 s ASP 982 Cb 0.21 1.25 0.41 0.00 -1.45 0.00 0.00 42.92 43.34 1ug9 s ASP 982 CO 0.41 -0.27 1.34 0.35 0.13 0.00 0.00 175.17 177.12 1ug9 n THR 983 N 5.38 1.50 0.16 1.71 -2.24 -1.26 -4.50 114.28 115.02 1ug9 n THR 983 Ca -0.05 -1.32 0.02 0.00 -2.27 0.00 0.00 64.05 60.43 1ug9 n THR 983 Cb 0.50 0.21 0.37 0.00 -2.10 0.00 0.00 70.33 69.31 1ug9 n THR 983 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ug9 h ASP 984 N 2.07 0.10 -3.43 3.42 3.45 -1.93 -3.43 116.42 116.67 1ug9 h ASP 984 Ca 0.00 -0.03 -0.54 0.00 0.43 0.00 0.00 57.03 56.89 1ug9 h ASP 984 Cb 1.03 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.73 1ug9 h ASP 984 CO 0.09 0.39 0.14 1.51 -1.57 0.00 0.00 179.24 179.80 1ug9 s ASP 985 N -6.92 7.24 0.61 6.45 -4.77 -1.26 -4.63 116.67 113.39 1ug9 s ASP 985 Ca -0.04 1.47 -0.18 0.00 -3.30 0.00 0.00 52.55 50.51 1ug9 s ASP 985 Cb 0.15 -2.46 -0.02 0.00 -1.09 0.00 0.00 42.92 39.49 1ug9 s ASP 985 CO 0.73 0.09 1.17 -2.16 0.70 0.00 0.00 175.17 175.71 1ug9 s PRO 986 N -0.45 2.91 0.00 2.11 0.04 -1.26 -4.89 135.00 133.47 1ug9 s PRO 986 Ca 0.37 1.69 0.25 0.00 0.04 0.00 0.00 61.00 63.35 1ug9 s PRO 986 Cb -0.21 -1.94 0.53 0.00 0.04 0.00 0.00 34.50 32.92 1ug9 s PRO 986 CO 0.23 -1.22 1.45 0.09 0.04 0.00 0.00 177.00 177.59 1ug9 n ASN 987 N -1.83 2.46 -4.72 6.66 5.03 -1.08 -4.84 115.26 116.94 1ug9 n ASN 987 Ca 0.13 -1.82 -0.41 0.00 0.87 0.00 0.00 54.58 53.35 1ug9 n ASN 987 Cb 0.50 -0.03 -0.04 0.00 -1.02 0.00 0.00 39.78 39.20 1ug9 n ASN 987 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ug9 s ALA 988 N -1.95 3.22 -0.62 5.41 0.00 -1.26 -4.57 121.76 121.99 1ug9 s ALA 988 Ca 0.33 0.58 0.25 0.00 0.00 0.00 0.00 51.96 53.12 1ug9 s ALA 988 Cb 0.20 -3.32 0.58 0.00 0.00 0.00 0.00 23.12 20.59 1ug9 s ALA 988 CO 0.31 -0.14 1.63 -0.07 0.00 0.00 0.00 175.76 177.49 1ug9 h LEU 989 N 6.11 0.00 0.00 0.00 4.07 -1.38 -3.38 115.31 120.72 1ug9 h LEU 989 Ca -0.42 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1ug9 h LEU 989 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ug9 h LEU 989 CO 0.74 0.02 0.00 -0.90 -1.08 0.00 0.00 178.44 177.21 1ug9 n ASP 990 N -2.47 0.00 -3.17 -0.43 5.75 -1.25 0.57 116.55 115.55 1ug9 n ASP 990 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.64 1ug9 n ASP 990 Cb 0.46 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 1ug9 n ASP 990 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1ug9 n VAL 991 N -0.01 0.00 -4.40 2.12 0.24 -1.26 -1.25 118.33 113.76 1ug9 n VAL 991 Ca 0.00 -1.87 -0.33 0.00 -2.04 0.00 0.00 64.34 60.10 1ug9 n VAL 991 Cb 0.00 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 1ug9 n VAL 991 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ug9 s LEU 992 N 0.00 3.34 0.28 1.34 1.02 -0.76 -5.00 118.68 118.90 1ug9 s LEU 992 Ca 0.21 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.34 1ug9 s LEU 992 Cb 0.01 -1.88 -0.06 0.00 0.02 0.00 0.00 46.19 44.29 1ug9 s LEU 992 CO 0.15 0.30 0.04 0.68 0.02 0.00 0.00 176.35 177.53 1ug9 s VAL 993 N -1.00 1.06 0.44 -1.59 -7.23 -1.26 -4.53 120.40 106.29 1ug9 s VAL 993 Ca 0.17 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1ug9 s VAL 993 Cb -0.11 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.29 1ug9 s VAL 993 CO 0.07 -0.13 0.43 0.61 -0.31 0.00 0.00 175.10 175.77 1ug9 n GLY 994 N -0.55 2.52 3.56 2.32 0.00 -1.26 -5.02 105.19 106.76 1ug9 n GLY 994 Ca -0.03 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 1ug9 n GLY 994 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug9 n GLU 995 N -1.68 0.91 0.00 1.61 1.02 -1.26 -2.02 120.64 119.22 1ug9 n GLU 995 Ca 0.03 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ug9 n GLU 995 Cb 0.48 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1ug9 n GLU 995 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ug9 n GLY 996 N 1.42 2.44 3.63 0.62 0.00 -1.26 -4.98 105.19 107.06 1ug9 n GLY 996 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ug9 n GLY 996 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ug9 s GLN 997 N 0.00 2.16 0.05 1.61 -2.07 -0.86 -5.14 119.66 115.41 1ug9 s GLN 997 Ca 0.00 -1.57 0.06 0.00 -1.82 0.00 0.00 55.36 52.03 1ug9 s GLN 997 Cb 0.00 -2.04 -0.02 0.00 -1.09 0.00 0.00 33.01 29.85 1ug9 s GLN 997 CO 0.00 0.27 -0.18 -0.08 -1.32 0.00 0.00 175.29 173.97 1ug9 s THR 998 N -2.42 1.46 0.38 3.63 -1.32 -1.26 -4.75 115.64 111.36 1ug9 s THR 998 Ca 0.33 -1.15 0.20 0.00 -1.21 0.00 0.00 61.69 59.86 1ug9 s THR 998 Cb -0.04 -1.29 0.21 0.00 -1.51 0.00 0.00 72.50 69.87 1ug9 s THR 998 CO 0.19 0.11 1.96 -0.61 -2.21 0.00 0.00 174.62 174.06 1ug9 h GLN 999 N 4.83 0.00 -0.44 7.08 4.15 -1.95 -1.05 115.11 127.74 1ug9 h GLN 999 Ca -0.41 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.96 1ug9 h GLN 999 Cb 1.17 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1ug9 h GLN 999 CO 0.44 0.22 0.08 0.00 -1.93 0.00 0.00 178.83 177.63 1ug9 h ALA 1000N 1.78 0.59 0.01 3.38 0.00 -1.84 -1.65 119.26 121.52 1ug9 h ALA 1000Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ug9 h ALA 1000Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ug9 h ALA 1000CO 0.03 0.30 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 1ug9 h ALA 1001N 0.95 0.02 -0.34 0.00 0.00 -1.79 -2.98 119.26 115.12 1ug9 h ALA 1001Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ug9 h ALA 1001Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ug9 h ALA 1001CO 0.01 0.05 0.23 -0.24 0.00 0.00 0.00 179.25 179.29 1ug9 h VAL 1002N -0.60 1.03 -0.61 0.00 3.04 -1.25 -1.49 116.25 116.37 1ug9 h VAL 1002Ca -0.03 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1ug9 h VAL 1002Cb 0.99 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1ug9 h VAL 1002CO 0.04 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.85 1ug9 n LEU 1003N -4.49 4.00 -4.52 3.16 4.32 -0.62 -4.10 117.00 114.75 1ug9 n LEU 1003Ca 0.03 -2.01 -0.42 0.00 -0.02 0.00 0.00 56.01 53.59 1ug9 n LEU 1003Cb 0.14 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.40 1ug9 n LEU 1003CO 0.35 0.79 1.27 -0.62 -1.22 0.00 0.00 177.39 177.96 1ug9 s ASP 1004N -0.91 6.48 0.55 -1.43 -1.08 -0.56 -4.42 116.67 115.30 1ug9 s ASP 1004Ca 0.45 -1.49 0.33 0.00 -0.52 0.00 0.00 52.55 51.32 1ug9 s ASP 1004Cb 0.27 -2.51 1.33 0.00 -1.46 0.00 0.00 42.92 40.55 1ug9 s ASP 1004CO 0.25 -1.41 1.97 4.11 0.52 0.00 0.00 175.17 180.61 1ug9 h TRP 1005N 9.54 0.00 0.00 -5.34 5.08 -1.88 -2.63 115.95 120.73 1ug9 h TRP 1005Ca 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.07 1ug9 h TRP 1005Cb 1.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1ug9 h TRP 1005CO 1.22 0.01 -0.08 0.00 -1.28 0.00 0.00 178.44 178.30 1ug9 h ARG 1006N 0.00 0.00 -0.01 0.12 3.08 -1.93 -1.98 114.38 113.67 1ug9 h ARG 1006Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ug9 h ARG 1006Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ug9 h ARG 1006CO 0.00 0.08 -0.53 0.00 -1.07 0.00 0.00 179.97 178.45 1ug9 n ALA 1007N -2.18 3.68 0.00 0.04 0.00 -0.99 -4.98 120.51 116.08 1ug9 n ALA 1007Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1ug9 n ALA 1007Cb 0.26 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1ug9 n ALA 1007CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug9 n GLY 1008N 1.42 3.28 3.05 0.00 0.00 -0.74 -5.14 105.19 107.06 1ug9 n GLY 1008Ca 0.09 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1ug9 n GLY 1008CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug9 s SER 1009N 0.00 -0.09 0.73 1.61 0.15 -1.25 -3.99 113.70 110.86 1ug9 s SER 1009Ca 0.00 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 1ug9 s SER 1009Cb 0.00 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1ug9 s SER 1009CO 0.00 -0.16 1.07 -2.16 1.20 0.00 0.00 173.24 173.19 1ug9 s PRO 1010N -0.45 2.64 0.81 5.44 0.04 -1.26 -5.12 135.00 137.10 1ug9 s PRO 1010Ca -0.05 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 1ug9 s PRO 1010Cb -0.03 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1ug9 s PRO 1010CO 0.01 -1.29 1.12 0.14 0.04 0.00 0.00 177.00 177.01 1ug9 s VAL 1011N -3.06 2.85 -0.33 -0.36 -7.23 -1.26 -4.69 120.40 106.33 1ug9 s VAL 1011Ca 0.59 0.29 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 1ug9 s VAL 1011Cb -0.14 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.26 1ug9 s VAL 1011CO 0.55 -0.35 0.03 0.54 -0.31 0.00 0.00 175.10 175.56 1ug9 s VAL 1012N -2.75 2.49 0.02 1.32 0.11 -1.26 0.06 120.40 120.39 1ug9 s VAL 1012Ca 0.64 -2.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.38 1ug9 s VAL 1012Cb -0.20 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 1ug9 s VAL 1012CO 0.56 -0.41 1.12 -0.69 -3.33 0.00 0.00 175.10 172.35 1ug9 s VAL 1013N 1.03 4.35 0.46 2.04 1.01 0.11 -4.76 120.40 124.64 1ug9 s VAL 1013Ca 0.04 1.69 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 1ug9 s VAL 1013Cb -0.20 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1ug9 s VAL 1013CO -0.06 0.11 1.40 -2.16 0.00 0.00 0.00 175.10 174.39 1ug9 s PRO 1014N 1.23 3.65 -0.33 2.72 0.04 -1.26 -0.18 135.00 140.86 1ug9 s PRO 1014Ca 0.56 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.81 1ug9 s PRO 1014Cb -0.26 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1ug9 s PRO 1014CO 0.27 -0.82 0.24 1.41 0.04 0.00 0.00 177.00 178.14 1ug9 s MET 1015N -2.49 3.54 0.39 4.56 1.75 -1.26 -4.31 119.30 121.48 1ug9 s MET 1015Ca 0.62 -0.60 0.04 0.00 -1.25 0.00 0.00 55.69 54.50 1ug9 s MET 1015Cb -0.42 -3.79 -0.05 0.00 2.84 0.00 0.00 34.83 33.40 1ug9 s MET 1015CO 0.54 -0.42 0.05 -0.48 -0.65 0.00 0.00 175.02 174.05 1ug9 s LEU 1016N 1.74 2.34 0.18 4.11 0.05 0.42 -4.73 118.68 122.79 1ug9 s LEU 1016Ca 0.06 -1.47 0.09 0.00 0.05 0.00 0.00 54.13 52.86 1ug9 s LEU 1016Cb -0.17 -0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 43.41 1ug9 s LEU 1016CO 0.11 -0.67 -0.11 -0.83 -0.55 0.00 0.00 176.35 174.30 1ug9 s GLY 1017N -3.62 1.73 0.18 -3.48 0.00 -1.26 0.86 107.32 101.72 1ug9 s GLY 1017Ca 0.29 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 1ug9 s GLY 1017CO 0.14 -1.52 1.23 1.08 0.00 0.00 0.00 173.10 174.03 1ug9 s LEU 1018N -2.83 4.44 -0.17 0.66 1.02 -1.26 -4.92 118.68 115.61 1ug9 s LEU 1018Ca 0.25 2.27 -0.17 0.00 0.02 0.00 0.00 54.13 56.50 1ug9 s LEU 1018Cb -0.09 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1ug9 s LEU 1018CO 0.15 -0.42 0.42 -1.10 0.02 0.00 0.00 176.35 175.41 1ug9 s GLN 1019N -0.15 4.24 0.00 1.70 -1.52 -0.63 -4.67 119.66 118.64 1ug9 s GLN 1019Ca 0.54 0.29 0.00 0.00 -1.95 0.00 0.00 55.36 54.24 1ug9 s GLN 1019Cb -0.34 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 28.96 1ug9 s GLN 1019CO 0.37 0.05 0.40 -0.35 -0.25 0.00 0.00 175.29 175.51