#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss8 n ALA 3 N 0.00 -0.79 -2.68 0.00 0.00 -1.26 -4.91 120.51 110.87 1ss8 n ALA 3 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1ss8 n ALA 3 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 1ss8 n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ss8 s LYS 4 N -1.47 2.49 -0.16 0.00 -0.14 -1.26 -2.70 119.74 116.49 1ss8 s LYS 4 Ca 0.60 -1.33 -0.03 0.00 -1.36 0.00 0.00 55.97 53.85 1ss8 s LYS 4 Cb -0.73 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 1ss8 s LYS 4 CO 0.59 0.34 -0.05 0.34 -0.76 0.00 0.00 175.35 175.81 1ss8 s ASP 5 N -3.75 4.62 -0.06 2.83 -1.08 0.22 -4.70 116.67 114.75 1ss8 s ASP 5 Ca 0.33 -0.20 0.06 0.00 -0.52 0.00 0.00 52.55 52.22 1ss8 s ASP 5 Cb -0.06 -1.76 -0.01 0.00 -1.46 0.00 0.00 42.92 39.63 1ss8 s ASP 5 CO 0.22 0.14 -0.24 -0.69 0.52 0.00 0.00 175.17 175.11 1ss8 s VAL 6 N 0.55 1.99 0.08 1.11 1.01 -1.26 -2.57 120.40 121.30 1ss8 s VAL 6 Ca -0.04 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1ss8 s VAL 6 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1ss8 s VAL 6 CO 0.03 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.02 1ss8 s LYS 7 N -0.08 0.83 0.07 2.72 1.02 -0.65 -4.98 119.74 118.67 1ss8 s LYS 7 Ca -0.06 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 54.94 1ss8 s LYS 7 Cb -0.14 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1ss8 s LYS 7 CO 0.04 0.14 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.45 1ss8 s PHE 8 N -1.70 0.98 0.00 3.18 0.08 -1.26 -0.93 117.98 118.33 1ss8 s PHE 8 Ca 0.01 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1ss8 s PHE 8 Cb -0.07 -0.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 1ss8 s PHE 8 CO 0.02 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 1ss8 n GLY 9 N 1.01 2.63 0.37 4.36 0.00 -0.57 -2.22 105.19 110.78 1ss8 n GLY 9 Ca -0.19 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1ss8 n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ss8 h ASN 10 N 0.27 0.94 -0.57 1.61 -0.26 -1.96 -0.80 115.58 114.82 1ss8 h ASN 10 Ca 0.00 0.02 0.09 0.00 -0.56 0.00 0.00 56.30 55.85 1ss8 h ASN 10 Cb 0.00 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 37.01 1ss8 h ASN 10 CO 0.00 0.57 0.17 0.44 -1.06 0.00 0.00 177.43 177.55 1ss8 h ASP 11 N 1.05 0.11 -0.64 5.81 3.32 -1.88 0.46 116.42 124.65 1ss8 h ASP 11 Ca 0.43 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.48 1ss8 h ASP 11 Cb 0.28 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ss8 h ASP 11 CO -0.18 0.08 0.07 0.00 -1.72 0.00 0.00 179.24 177.49 1ss8 h ALA 12 N 1.42 0.86 0.46 3.45 0.00 -0.84 -2.44 119.26 122.16 1ss8 h ALA 12 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ss8 h ALA 12 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ss8 h ALA 12 CO -0.33 0.65 -0.22 0.78 0.00 0.00 0.00 179.25 180.13 1ss8 h GLY 13 N 1.00 -0.65 1.15 0.00 0.00 0.47 -1.48 103.07 103.56 1ss8 h GLY 13 Ca 0.19 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1ss8 h GLY 13 CO 0.02 -0.24 0.57 -0.39 0.00 0.00 0.00 176.54 176.51 1ss8 h VAL 14 N -0.65 1.22 -0.08 4.60 -1.51 -0.15 -0.28 116.25 119.40 1ss8 h VAL 14 Ca -0.06 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1ss8 h VAL 14 Cb 0.49 -0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.59 1ss8 h VAL 14 CO 0.10 0.21 0.05 0.11 -1.23 0.00 0.00 177.57 176.82 1ss8 h LYS 15 N 1.17 0.10 -0.76 5.19 1.79 -1.04 -1.66 116.57 121.35 1ss8 h LYS 15 Ca 0.32 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1ss8 h LYS 15 Cb -0.13 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 1ss8 h LYS 15 CO -0.07 0.07 0.49 0.52 -1.08 0.00 0.00 179.45 179.38 1ss8 h MET 16 N 0.10 1.00 -0.64 3.15 2.86 -0.63 -2.52 114.93 118.25 1ss8 h MET 16 Ca 0.03 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1ss8 h MET 16 Cb -0.01 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.37 1ss8 h MET 16 CO -0.01 0.67 0.35 1.25 1.06 0.00 0.00 176.91 180.23 1ss8 h LEU 17 N 1.03 0.51 -1.63 1.22 5.85 -0.74 -0.53 115.31 121.02 1ss8 h LEU 17 Ca 0.28 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1ss8 h LEU 17 Cb -0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ss8 h LEU 17 CO -0.06 0.33 -0.20 0.03 -0.34 0.00 0.00 178.44 178.20 1ss8 h ARG 18 N 0.65 0.00 -0.00 1.25 3.08 -0.91 0.88 114.38 119.33 1ss8 h ARG 18 Ca 0.29 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.08 1ss8 h ARG 18 Cb 0.18 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.25 1ss8 h ARG 18 CO -0.18 0.20 -1.02 0.78 -1.07 0.00 0.00 179.97 178.68 1ss8 h GLY 19 N 0.71 0.73 1.16 0.04 0.00 -0.85 -2.54 103.07 102.32 1ss8 h GLY 19 Ca -0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 47.33 45.90 1ss8 h GLY 19 CO 0.03 1.13 -0.36 -2.08 0.00 0.00 0.00 176.54 175.25 1ss8 h VAL 20 N 0.37 1.27 -0.82 4.60 2.07 -0.52 -2.47 116.25 120.76 1ss8 h VAL 20 Ca -0.12 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 65.90 1ss8 h VAL 20 Cb 1.67 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 1ss8 h VAL 20 CO 0.20 0.51 0.52 0.78 0.02 0.00 0.00 177.57 179.61 1ss8 h ASN 21 N 0.76 0.87 -0.66 0.57 2.35 -0.80 0.45 115.58 119.11 1ss8 h ASN 21 Ca 0.07 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1ss8 h ASN 21 Cb 0.95 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1ss8 h ASN 21 CO 0.09 0.60 0.16 0.58 -1.65 0.00 0.00 177.43 177.21 1ss8 h VAL 22 N 1.02 1.26 0.63 2.81 2.07 -1.18 -0.01 116.25 122.85 1ss8 h VAL 22 Ca 0.33 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1ss8 h VAL 22 Cb 0.00 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ss8 h VAL 22 CO -0.11 0.36 -0.30 0.25 0.02 0.00 0.00 177.57 177.79 1ss8 h LEU 23 N 0.99 -0.71 -0.58 2.57 5.85 -0.97 -1.83 115.31 120.63 1ss8 h LEU 23 Ca 0.21 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ss8 h LEU 23 Cb 0.37 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1ss8 h LEU 23 CO 0.00 -0.35 0.33 0.00 -0.34 0.00 0.00 178.44 178.08 1ss8 h ALA 24 N -0.97 0.74 -0.08 1.25 0.00 -0.07 -1.79 119.26 118.34 1ss8 h ALA 24 Ca -0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1ss8 h ALA 24 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ss8 h ALA 24 CO 0.14 0.25 -0.25 -0.44 0.00 0.00 0.00 179.25 178.95 1ss8 h ASP 25 N 0.78 0.14 -0.22 0.00 3.32 -1.02 0.64 116.42 120.06 1ss8 h ASP 25 Ca 0.20 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1ss8 h ASP 25 Cb 0.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1ss8 h ASP 25 CO -0.03 0.40 -0.42 0.00 -1.72 0.00 0.00 179.24 177.46 1ss8 h ALA 26 N 1.61 0.67 0.14 3.45 0.00 -0.51 -3.29 119.26 121.33 1ss8 h ALA 26 Ca 0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 1ss8 h ALA 26 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ss8 h ALA 26 CO 0.04 0.67 -1.60 0.28 0.00 0.00 0.00 179.25 178.63 1ss8 h VAL 27 N 0.62 1.08 0.00 0.00 2.07 -0.74 -3.34 116.25 115.94 1ss8 h VAL 27 Ca 0.05 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1ss8 h VAL 27 Cb 0.98 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1ss8 h VAL 27 CO 0.09 0.82 0.00 0.07 0.02 0.00 0.00 177.57 178.58 1ss8 h LYS 28 N 0.08 0.00 0.00 1.57 2.10 -0.96 -2.12 116.57 117.23 1ss8 h LYS 28 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1ss8 h LYS 28 Cb 2.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1ss8 h LYS 28 CO 0.17 0.00 0.00 -0.39 -2.00 0.00 0.00 179.45 177.23 1ss8 h VAL 29 N 0.00 0.00 -0.01 0.07 -1.51 -1.68 -1.59 116.25 111.52 1ss8 h VAL 29 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1ss8 h VAL 29 Cb 0.52 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1ss8 h VAL 29 CO 0.00 0.00 -0.20 0.35 -1.23 0.00 0.00 177.57 176.49 1ss8 n THR 30 N -2.32 0.00 -2.28 7.19 -2.24 -0.80 0.41 114.28 114.25 1ss8 n THR 30 Ca -0.01 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1ss8 n THR 30 Cb 0.08 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1ss8 n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ss8 s LEU 31 N -2.29 4.41 0.00 3.22 2.96 -0.60 -4.31 118.68 122.07 1ss8 s LEU 31 Ca 0.27 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1ss8 s LEU 31 Cb 0.20 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.28 1ss8 s LEU 31 CO 0.45 -0.49 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1ss8 n GLY 32 N 2.57 -0.52 0.25 7.98 0.00 -1.26 -3.61 105.19 110.61 1ss8 n GLY 32 Ca 0.07 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1ss8 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ss8 h PRO 33 N 0.00 0.00 -0.93 1.61 0.13 -1.91 -1.89 132.00 129.02 1ss8 h PRO 33 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1ss8 h PRO 33 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1ss8 h PRO 33 CO 0.00 0.14 0.60 1.63 -0.23 0.00 0.00 178.00 180.13 1ss8 n LYS 34 N -3.47 2.55 -1.91 0.86 4.01 -1.26 -5.00 118.16 113.93 1ss8 n LYS 34 Ca -0.01 -3.26 -0.34 0.00 -0.51 0.00 0.00 58.31 54.18 1ss8 n LYS 34 Cb 0.30 -2.21 0.04 0.00 -0.51 0.00 0.00 35.03 32.64 1ss8 n LYS 34 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1ss8 s GLY 35 N -1.86 2.47 0.31 0.72 0.00 -0.71 -4.50 107.32 103.74 1ss8 s GLY 35 Ca 0.60 0.79 0.02 0.00 0.00 0.00 0.00 44.72 46.13 1ss8 s GLY 35 CO 0.03 1.16 0.48 0.50 0.00 0.00 0.00 173.10 175.27 1ss8 s ARG 36 N -3.65 3.45 0.37 2.90 1.81 0.17 -4.93 118.95 119.07 1ss8 s ARG 36 Ca 0.72 -0.52 -0.24 0.00 -1.72 0.00 0.00 55.73 53.97 1ss8 s ARG 36 Cb -0.25 -2.75 -0.10 0.00 -0.45 0.00 0.00 34.95 31.40 1ss8 s ARG 36 CO 0.36 0.25 0.97 -0.80 -0.68 0.00 0.00 175.30 175.40 1ss8 s ASN 37 N -4.02 7.07 -0.04 0.23 0.01 -1.26 -4.19 114.94 112.74 1ss8 s ASN 37 Ca 0.38 1.84 0.03 0.00 -0.71 0.00 0.00 52.86 54.41 1ss8 s ASN 37 Cb -0.09 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 1ss8 s ASN 37 CO 0.33 -0.27 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.85 1ss8 s VAL 38 N -1.79 3.29 -0.19 1.60 1.01 0.41 -4.94 120.40 119.79 1ss8 s VAL 38 Ca 0.56 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1ss8 s VAL 38 Cb -0.17 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1ss8 s VAL 38 CO 0.21 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 175.21 1ss8 s VAL 39 N -0.81 4.47 -0.16 2.92 1.01 -1.26 -1.04 120.40 125.53 1ss8 s VAL 39 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1ss8 s VAL 39 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1ss8 s VAL 39 CO 0.02 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 1ss8 s LEU 40 N 0.58 2.23 0.57 3.92 1.43 0.02 -4.95 118.68 122.49 1ss8 s LEU 40 Ca 0.02 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1ss8 s LEU 40 Cb -0.13 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 1ss8 s LEU 40 CO 0.02 0.05 1.01 -0.62 0.23 0.00 0.00 176.35 177.04 1ss8 s ASP 41 N 0.98 6.42 0.03 2.29 2.15 -1.26 -0.71 116.67 126.57 1ss8 s ASP 41 Ca -0.03 1.49 0.03 0.00 0.43 0.00 0.00 52.55 54.47 1ss8 s ASP 41 Cb -0.15 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1ss8 s ASP 41 CO -0.05 -0.73 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.58 1ss8 s LYS 42 N -4.65 0.64 0.31 4.34 -0.14 -1.26 -4.84 119.74 114.14 1ss8 s LYS 42 Ca 0.57 -0.64 0.16 0.00 -1.36 0.00 0.00 55.97 54.70 1ss8 s LYS 42 Cb -0.10 -0.54 0.31 0.00 -1.68 0.00 0.00 37.83 35.82 1ss8 s LYS 42 CO 0.43 0.13 1.56 0.77 -0.76 0.00 0.00 175.35 177.47 1ss8 h SER 43 N 4.96 0.00 -0.67 2.83 0.02 -1.97 -3.37 113.55 115.34 1ss8 h SER 43 Ca -0.35 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1ss8 h SER 43 Cb 1.19 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.64 1ss8 h SER 43 CO 0.44 0.48 0.17 0.15 -1.14 0.00 0.00 176.83 176.93 1ss8 h PHE 44 N 0.00 0.27 0.00 3.45 3.57 -2.03 -3.49 116.94 118.72 1ss8 h PHE 44 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ss8 h PHE 44 Cb 1.21 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1ss8 h PHE 44 CO 0.00 -0.04 0.00 0.41 -2.23 0.00 0.00 178.31 176.45 1ss8 n GLY 45 N -1.33 -0.24 3.76 2.40 0.00 -1.26 -5.13 105.19 103.39 1ss8 n GLY 45 Ca 0.12 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 1ss8 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss8 s ALA 46 N -1.00 3.38 1.14 4.61 0.00 -1.26 -4.71 121.76 123.92 1ss8 s ALA 46 Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 1ss8 s ALA 46 Cb 0.00 -3.37 0.24 0.00 0.00 0.00 0.00 23.12 19.99 1ss8 s ALA 46 CO 0.00 -0.33 0.81 -0.35 0.00 0.00 0.00 175.76 175.89 1ss8 n PRO 47 N 0.89 -2.10 -4.47 0.00 -0.04 -1.26 -4.73 135.00 123.29 1ss8 n PRO 47 Ca 0.00 -0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 62.56 1ss8 n PRO 47 Cb 0.44 -2.08 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 1ss8 n PRO 47 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ss8 s THR 48 N -2.39 3.47 -0.21 0.52 -4.23 0.12 -4.93 115.64 107.98 1ss8 s THR 48 Ca 0.66 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1ss8 s THR 48 Cb -0.23 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 1ss8 s THR 48 CO 0.65 0.35 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.41 1ss8 s ILE 49 N -1.01 3.42 0.07 2.99 1.01 -1.26 -0.79 121.20 125.63 1ss8 s ILE 49 Ca 0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1ss8 s ILE 49 Cb -0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1ss8 s ILE 49 CO 0.08 0.43 0.04 0.28 0.00 0.00 0.00 174.94 175.77 1ss8 s THR 50 N 1.36 0.18 0.00 2.92 -1.32 -0.21 -4.94 115.64 113.64 1ss8 s THR 50 Ca 0.04 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1ss8 s THR 50 Cb -0.14 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1ss8 s THR 50 CO -0.02 -0.83 0.63 0.29 -2.21 0.00 0.00 174.62 172.48 1ss8 n LYS 51 N 0.04 0.97 -2.82 7.08 5.02 -1.26 -0.45 118.16 126.74 1ss8 n LYS 51 Ca -0.13 -0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 54.90 1ss8 n LYS 51 Cb 0.62 -0.82 -0.04 0.00 -0.02 0.00 0.00 35.03 34.77 1ss8 n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ss8 s ASP 52 N -0.40 6.37 0.32 4.39 -1.08 -1.26 -4.83 116.67 120.18 1ss8 s ASP 52 Ca 0.00 -0.25 0.05 0.00 -0.52 0.00 0.00 52.55 51.83 1ss8 s ASP 52 Cb 0.00 -2.45 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 1ss8 s ASP 52 CO 0.00 -1.22 1.80 1.23 0.52 0.00 0.00 175.17 177.50 1ss8 h GLY 53 N 10.98 0.44 0.40 2.66 0.00 -1.92 -1.71 103.07 113.91 1ss8 h GLY 53 Ca -0.26 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 46.80 1ss8 h GLY 53 CO 1.09 0.29 -0.22 -2.08 0.00 0.00 0.00 176.54 175.61 1ss8 h VAL 54 N 0.37 0.47 -0.98 4.60 2.07 -1.95 -1.40 116.25 119.42 1ss8 h VAL 54 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1ss8 h VAL 54 Cb 0.54 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1ss8 h VAL 54 CO 0.04 0.00 0.63 0.28 0.02 0.00 0.00 177.57 178.54 1ss8 h SER 55 N -0.32 0.97 0.08 0.57 0.02 -1.75 -2.11 113.55 111.01 1ss8 h SER 55 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ss8 h SER 55 Cb 0.43 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ss8 h SER 55 CO -0.25 0.59 -0.07 0.58 -1.14 0.00 0.00 176.83 176.54 1ss8 h VAL 56 N 1.08 0.84 -0.90 2.27 2.07 -1.14 -2.92 116.25 117.56 1ss8 h VAL 56 Ca 0.44 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.07 1ss8 h VAL 56 Cb 0.29 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1ss8 h VAL 56 CO -0.19 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.93 1ss8 h ALA 57 N 0.75 1.31 0.00 1.67 0.00 -0.83 0.83 119.26 122.99 1ss8 h ALA 57 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ss8 h ALA 57 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ss8 h ALA 57 CO -0.01 0.15 -0.09 -0.09 0.00 0.00 0.00 179.25 179.21 1ss8 h ARG 58 N 0.88 0.00 -0.00 0.00 2.43 -1.19 -0.49 114.38 115.99 1ss8 h ARG 58 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1ss8 h ARG 58 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ss8 h ARG 58 CO -0.26 0.09 -0.16 0.39 -1.51 0.00 0.00 179.97 178.52 1ss8 n GLU 59 N -3.54 0.64 -3.23 0.20 -0.58 0.28 -4.89 120.64 109.53 1ss8 n GLU 59 Ca -0.02 -0.27 -0.40 0.00 -0.42 0.00 0.00 57.16 56.06 1ss8 n GLU 59 Cb 0.22 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1ss8 n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ss8 s ILE 60 N -2.54 5.08 -0.03 -3.67 -1.09 -0.20 -5.00 121.20 113.75 1ss8 s ILE 60 Ca 0.26 0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 59.59 1ss8 s ILE 60 Cb 0.20 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1ss8 s ILE 60 CO 0.50 0.13 0.09 -0.70 -1.23 0.00 0.00 174.94 173.73 1ss8 s GLU 61 N 1.98 0.12 0.09 2.79 2.12 -1.26 -4.90 118.70 119.64 1ss8 s GLU 61 Ca 0.23 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.74 1ss8 s GLU 61 Cb -0.15 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1ss8 s GLU 61 CO 0.09 -0.02 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.15 1ss8 s LEU 62 N -0.01 2.88 0.06 2.70 1.43 -1.26 -5.04 118.68 119.43 1ss8 s LEU 62 Ca -0.01 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1ss8 s LEU 62 Cb -0.01 -1.69 -0.15 0.00 0.03 0.00 0.00 46.19 44.37 1ss8 s LEU 62 CO 0.00 0.20 1.59 -0.08 0.23 0.00 0.00 176.35 178.29 1ss8 h GLU 63 N 3.91 0.08 -6.47 1.70 4.81 -2.01 -3.42 114.58 113.19 1ss8 h GLU 63 Ca -0.49 -0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.19 1ss8 h GLU 63 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ss8 h GLU 63 CO 0.50 0.23 0.64 0.34 -0.73 0.00 0.00 179.01 179.99 1ss8 s ASP 64 N -5.44 6.99 0.34 1.04 -1.08 -1.26 -4.90 116.67 112.37 1ss8 s ASP 64 Ca -0.14 2.08 0.04 0.00 -0.52 0.00 0.00 52.55 54.01 1ss8 s ASP 64 Cb 0.05 -2.58 0.63 0.00 -1.46 0.00 0.00 42.92 39.56 1ss8 s ASP 64 CO 0.68 -0.55 1.90 0.11 0.52 0.00 0.00 175.17 177.82 1ss8 h LYS 65 N 6.99 0.54 0.04 4.34 1.79 -1.95 -0.68 116.57 127.64 1ss8 h LYS 65 Ca -0.40 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1ss8 h LYS 65 Cb 1.20 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1ss8 h LYS 65 CO 0.84 0.54 -0.02 0.74 -1.08 0.00 0.00 179.45 180.47 1ss8 h PHE 66 N 0.53 -0.05 -0.66 -1.35 0.04 -1.94 -1.47 116.94 112.03 1ss8 h PHE 66 Ca 0.12 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.02 1ss8 h PHE 66 Cb 0.27 0.02 -0.13 0.00 2.20 0.00 0.00 35.95 38.31 1ss8 h PHE 66 CO 0.01 0.46 -0.16 0.93 -0.60 0.00 0.00 178.31 178.95 1ss8 h GLU 67 N -0.60 0.00 -0.01 1.51 5.08 -1.64 -0.04 114.58 118.88 1ss8 h GLU 67 Ca -0.01 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ss8 h GLU 67 Cb 0.54 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ss8 h GLU 67 CO 0.01 0.00 -0.12 -0.97 -1.00 0.00 0.00 179.01 176.93 1ss8 h ASN 68 N 0.00 0.01 -0.19 1.42 -0.73 -0.85 -0.10 115.58 115.14 1ss8 h ASN 68 Ca 0.32 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.45 1ss8 h ASN 68 Cb 0.49 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1ss8 h ASN 68 CO -0.68 0.13 -0.03 0.24 -0.37 0.00 0.00 177.43 176.72 1ss8 h MET 69 N 0.02 0.36 -0.42 6.67 2.86 0.05 0.16 114.93 124.61 1ss8 h MET 69 Ca 0.00 -0.13 0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1ss8 h MET 69 Cb 0.22 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.76 1ss8 h MET 69 CO 0.02 0.60 -0.28 0.78 1.06 0.00 0.00 176.91 179.08 1ss8 h GLY 70 N 0.08 -0.10 0.96 8.32 0.00 -0.10 -1.00 103.07 111.24 1ss8 h GLY 70 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.75 1ss8 h GLY 70 CO 0.02 -0.21 0.30 0.00 0.00 0.00 0.00 176.54 176.65 1ss8 h ALA 71 N 0.94 0.60 -0.23 3.60 0.00 -0.82 -1.96 119.26 121.39 1ss8 h ALA 71 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ss8 h ALA 71 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ss8 h ALA 71 CO -0.54 0.02 -0.26 1.96 0.00 0.00 0.00 179.25 180.43 1ss8 h GLN 72 N 0.61 0.44 0.12 0.00 1.08 -0.58 0.16 115.11 116.94 1ss8 h GLN 72 Ca 0.18 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1ss8 h GLN 72 Cb -0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1ss8 h GLN 72 CO -0.06 0.67 -0.06 0.52 -0.95 0.00 0.00 178.83 178.95 1ss8 h MET 73 N 0.39 -0.16 -0.89 1.46 2.86 -0.73 0.51 114.93 118.36 1ss8 h MET 73 Ca 0.06 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1ss8 h MET 73 Cb 0.66 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1ss8 h MET 73 CO 0.05 0.11 0.51 0.28 1.06 0.00 0.00 176.91 178.93 1ss8 h VAL 74 N -0.43 1.25 -0.92 -2.22 2.07 -1.18 -2.05 116.25 112.78 1ss8 h VAL 74 Ca -0.02 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 66.99 1ss8 h VAL 74 Cb 0.35 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1ss8 h VAL 74 CO 0.03 0.28 0.57 0.11 0.02 0.00 0.00 177.57 178.58 1ss8 h LYS 75 N 1.24 0.98 -0.36 1.57 1.57 -0.33 -0.36 116.57 120.88 1ss8 h LYS 75 Ca 0.32 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1ss8 h LYS 75 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1ss8 h LYS 75 CO -0.06 0.65 -0.28 1.49 -0.57 0.00 0.00 179.45 180.69 1ss8 h GLU 76 N 1.01 0.75 0.12 3.15 4.81 -0.17 -1.40 114.58 122.85 1ss8 h GLU 76 Ca 0.41 -0.33 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 1ss8 h GLU 76 Cb 0.24 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ss8 h GLU 76 CO -0.20 0.94 -1.15 0.28 -0.73 0.00 0.00 179.01 178.15 1ss8 h VAL 77 N 0.65 1.24 -0.71 0.32 2.07 -1.33 -3.05 116.25 115.44 1ss8 h VAL 77 Ca 0.08 -2.46 0.02 0.00 0.82 0.00 0.00 66.70 65.16 1ss8 h VAL 77 Cb 0.80 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.44 1ss8 h VAL 77 CO 0.07 0.70 0.47 0.00 0.02 0.00 0.00 177.57 178.83 1ss8 h ALA 78 N -0.00 1.54 0.00 1.67 0.00 -0.98 0.14 119.26 121.62 1ss8 h ALA 78 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ss8 h ALA 78 Cb 1.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ss8 h ALA 78 CO 0.09 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 1ss8 n SER 79 N -4.44 0.00 0.22 0.00 3.41 -0.54 -0.75 113.62 111.53 1ss8 n SER 79 Ca 0.08 0.39 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1ss8 n SER 79 Cb 0.07 -0.45 0.51 0.00 -0.26 0.00 0.00 64.21 64.08 1ss8 n SER 79 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ss8 h LYS 80 N 0.00 0.00 0.45 4.33 1.57 -0.64 -2.74 116.57 119.54 1ss8 h LYS 80 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ss8 h LYS 80 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ss8 h LYS 80 CO 0.00 0.24 -0.22 0.00 -0.57 0.00 0.00 179.45 178.90 1ss8 h ALA 81 N 1.76 -0.60 -0.83 3.86 0.00 -0.95 0.89 119.26 123.39 1ss8 h ALA 81 Ca -0.00 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1ss8 h ALA 81 Cb 0.64 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1ss8 h ALA 81 CO 0.03 -0.77 0.37 -0.91 0.00 0.00 0.00 179.25 177.98 1ss8 h ASN 82 N -0.75 0.38 0.04 0.00 4.21 -1.53 0.28 115.58 118.22 1ss8 h ASN 82 Ca -0.06 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.57 1ss8 h ASN 82 Cb 0.53 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1ss8 h ASN 82 CO 0.10 0.12 -0.08 0.44 -1.29 0.00 0.00 177.43 176.72 1ss8 h ASP 83 N 0.50 -0.22 -0.57 5.81 3.32 -1.24 0.42 116.42 124.44 1ss8 h ASP 83 Ca 0.47 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 1ss8 h ASP 83 Cb 0.75 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1ss8 h ASP 83 CO -0.42 -0.12 -0.04 0.00 -1.72 0.00 0.00 179.24 176.94 1ss8 h ALA 84 N 0.79 0.83 0.00 3.45 0.00 0.65 -3.38 119.26 121.60 1ss8 h ALA 84 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ss8 h ALA 84 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ss8 h ALA 84 CO -0.05 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1ss8 n ALA 85 N -2.49 1.99 -0.46 0.00 0.00 0.85 -5.00 120.51 115.40 1ss8 n ALA 85 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ss8 n ALA 85 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1ss8 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ss8 n GLY 86 N 0.72 0.74 3.70 0.00 0.00 0.15 -4.77 105.19 105.73 1ss8 n GLY 86 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ss8 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ss8 s ASP 87 N -2.64 -0.00 0.00 1.61 -1.08 -1.21 -4.93 116.67 108.42 1ss8 s ASP 87 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1ss8 s ASP 87 Cb 0.00 0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.47 1ss8 s ASP 87 CO 0.00 -0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1ss8 n GLY 88 N -0.64 0.65 0.22 2.66 0.00 -1.26 -3.24 105.19 103.57 1ss8 n GLY 88 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1ss8 n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ss8 h THR 89 N 0.00 1.18 -0.36 2.61 2.02 -1.91 0.25 112.91 116.70 1ss8 h THR 89 Ca 0.00 -0.49 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1ss8 h THR 89 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ss8 h THR 89 CO 0.00 0.20 -0.30 0.74 0.37 0.00 0.00 175.52 176.53 1ss8 h THR 90 N 0.65 1.28 -0.40 3.16 2.02 -1.92 -1.75 112.91 115.96 1ss8 h THR 90 Ca 0.17 -1.46 0.07 0.00 0.77 0.00 0.00 66.41 65.96 1ss8 h THR 90 Cb 0.09 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1ss8 h THR 90 CO -0.02 0.48 0.03 0.74 0.37 0.00 0.00 175.52 177.12 1ss8 h THR 91 N 0.62 0.73 -0.65 3.16 2.02 -1.86 0.15 112.91 117.10 1ss8 h THR 91 Ca 0.06 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1ss8 h THR 91 Cb 0.88 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1ss8 h THR 91 CO 0.08 0.03 0.43 0.00 0.37 0.00 0.00 175.52 176.42 1ss8 h ALA 92 N 1.33 1.56 -0.50 6.16 0.00 -0.38 -0.59 119.26 126.83 1ss8 h ALA 92 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ss8 h ALA 92 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ss8 h ALA 92 CO -0.30 0.40 0.18 1.15 0.00 0.00 0.00 179.25 180.68 1ss8 h THR 93 N 0.86 1.22 -0.19 0.00 2.02 -0.09 -0.78 112.91 115.96 1ss8 h THR 93 Ca 0.24 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1ss8 h THR 93 Cb -0.07 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1ss8 h THR 93 CO -0.06 0.27 -0.07 0.58 0.37 0.00 0.00 175.52 176.62 1ss8 h VAL 94 N 0.67 0.77 -0.51 3.16 2.07 -0.34 -0.94 116.25 121.14 1ss8 h VAL 94 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1ss8 h VAL 94 Cb 0.24 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1ss8 h VAL 94 CO -0.01 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.78 1ss8 h LEU 95 N -0.03 0.39 -0.61 2.57 3.38 -0.98 -2.08 115.31 117.96 1ss8 h LEU 95 Ca 0.10 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ss8 h LEU 95 Cb 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ss8 h LEU 95 CO -0.21 0.27 -0.03 0.00 0.09 0.00 0.00 178.44 178.57 1ss8 h ALA 96 N 1.26 0.82 -1.00 1.53 0.00 -0.80 0.30 119.26 121.37 1ss8 h ALA 96 Ca 0.22 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ss8 h ALA 96 Cb 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 1ss8 h ALA 96 CO -0.14 0.67 0.64 0.37 0.00 0.00 0.00 179.25 180.79 1ss8 h GLN 97 N 0.97 1.03 0.19 0.00 4.15 -0.79 0.13 115.11 120.80 1ss8 h GLN 97 Ca 0.17 -0.06 -0.31 0.00 0.77 0.00 0.00 58.65 59.21 1ss8 h GLN 97 Cb 0.59 -0.23 0.02 0.00 0.21 0.00 0.00 27.48 28.07 1ss8 h GLN 97 CO 0.04 0.68 -1.42 0.00 -1.93 0.00 0.00 178.83 176.20 1ss8 h ALA 98 N 1.51 0.01 -0.40 3.38 0.00 0.04 -0.64 119.26 123.17 1ss8 h ALA 98 Ca 0.47 -0.92 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1ss8 h ALA 98 Cb 0.37 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ss8 h ALA 98 CO -0.23 0.88 -0.18 0.82 0.00 0.00 0.00 179.25 180.55 1ss8 h ILE 99 N 0.11 1.28 -0.52 0.00 2.04 -0.24 -2.20 117.51 117.98 1ss8 h ILE 99 Ca -0.22 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.35 1ss8 h ILE 99 Cb 2.07 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 1ss8 h ILE 99 CO 0.23 0.44 0.33 0.40 0.00 0.00 0.00 178.15 179.55 1ss8 h ILE 100 N 0.63 1.10 0.05 -0.67 2.04 -0.69 0.20 117.51 120.17 1ss8 h ILE 100 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ss8 h ILE 100 Cb 0.73 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1ss8 h ILE 100 CO 0.06 0.12 -0.02 0.74 0.00 0.00 0.00 178.15 179.04 1ss8 h THR 101 N 0.67 1.16 -0.08 -0.27 2.02 -1.05 0.26 112.91 115.62 1ss8 h THR 101 Ca 0.20 -0.69 -0.21 0.00 0.77 0.00 0.00 66.41 66.48 1ss8 h THR 101 Cb -0.04 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1ss8 h THR 101 CO -0.06 0.17 -0.80 -0.33 0.37 0.00 0.00 175.52 174.86 1ss8 h GLU 102 N -0.37 0.53 -0.44 6.66 4.39 -1.18 -2.78 114.58 121.39 1ss8 h GLU 102 Ca -0.01 -0.47 0.04 0.00 0.34 0.00 0.00 59.36 59.27 1ss8 h GLU 102 Cb 0.33 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1ss8 h GLU 102 CO 0.01 1.10 0.20 0.78 -1.16 0.00 0.00 179.01 179.94 1ss8 h GLY 103 N 1.03 0.60 2.00 -3.84 0.00 -0.52 -1.65 103.07 100.69 1ss8 h GLY 103 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1ss8 h GLY 103 CO 0.15 0.07 -0.14 1.41 0.00 0.00 0.00 176.54 178.03 1ss8 h LEU 104 N 0.40 0.00 -0.68 3.11 3.38 -0.94 -0.36 115.31 120.21 1ss8 h LEU 104 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1ss8 h LEU 104 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ss8 h LEU 104 CO -0.16 0.14 0.18 0.50 0.09 0.00 0.00 178.44 179.18 1ss8 h LYS 105 N 0.00 1.09 0.00 1.13 3.64 -1.03 -0.53 116.57 120.87 1ss8 h LYS 105 Ca -0.00 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1ss8 h LYS 105 Cb 0.26 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1ss8 h LYS 105 CO 0.02 0.96 -0.31 0.00 -2.27 0.00 0.00 179.45 177.85 1ss8 h ALA 106 N 1.08 1.26 -0.07 5.00 0.00 -0.67 -1.66 119.26 124.21 1ss8 h ALA 106 Ca 0.22 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ss8 h ALA 106 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ss8 h ALA 106 CO 0.00 0.39 -0.18 0.28 0.00 0.00 0.00 179.25 179.74 1ss8 h VAL 107 N 0.00 1.42 -0.06 0.00 2.07 0.02 -1.66 116.25 118.04 1ss8 h VAL 107 Ca -0.00 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1ss8 h VAL 107 Cb 0.64 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ss8 h VAL 107 CO 0.04 0.43 0.11 0.00 0.02 0.00 0.00 177.57 178.17 1ss8 h ALA 108 N 0.46 1.44 -0.10 1.67 0.00 -1.06 0.79 119.26 122.45 1ss8 h ALA 108 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ss8 h ALA 108 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ss8 h ALA 108 CO 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1ss8 n ALA 109 N -2.20 2.55 -0.83 0.00 0.00 -0.63 -4.92 120.51 114.49 1ss8 n ALA 109 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1ss8 n ALA 109 Cb 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ss8 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ss8 n GLY 110 N 1.07 0.53 3.86 0.00 0.00 0.27 -5.06 105.19 105.86 1ss8 n GLY 110 Ca 0.17 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1ss8 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ss8 s MET 111 N -0.95 3.41 -0.49 1.61 -1.94 -0.65 -4.99 119.30 115.31 1ss8 s MET 111 Ca 0.00 0.76 -0.27 0.00 -1.71 0.00 0.00 55.69 54.46 1ss8 s MET 111 Cb 0.00 -2.06 0.03 0.00 2.01 0.00 0.00 34.83 34.81 1ss8 s MET 111 CO 0.00 -0.71 1.06 1.21 -0.01 0.00 0.00 175.02 176.56 1ss8 s ASN 112 N -4.13 6.55 0.45 3.03 3.84 -1.26 -4.52 114.94 118.90 1ss8 s ASN 112 Ca 0.56 0.26 0.22 0.00 0.21 0.00 0.00 52.86 54.11 1ss8 s ASN 112 Cb -0.12 -2.51 1.21 0.00 -0.55 0.00 0.00 41.25 39.28 1ss8 s ASN 112 CO 0.54 -1.20 1.86 -0.65 -2.79 0.00 0.00 177.10 174.86 1ss8 h PRO 113 N 9.21 0.27 -0.22 0.43 0.11 -1.93 -0.53 132.00 139.34 1ss8 h PRO 113 Ca -0.24 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 1ss8 h PRO 113 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ss8 h PRO 113 CO 1.10 0.18 -0.45 0.52 -0.21 0.00 0.00 178.00 179.13 1ss8 h MET 114 N 0.28 0.70 -0.33 1.05 2.86 -1.91 -0.69 114.93 116.89 1ss8 h MET 114 Ca 0.47 -0.46 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 1ss8 h MET 114 Cb 1.36 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 1ss8 h MET 114 CO -0.14 1.08 -0.40 -0.44 1.06 0.00 0.00 176.91 178.07 1ss8 h ASP 115 N 0.42 0.93 -0.36 1.22 3.32 -1.52 -1.61 116.42 118.80 1ss8 h ASP 115 Ca 0.01 -0.49 0.08 0.00 0.02 0.00 0.00 57.03 56.65 1ss8 h ASP 115 Cb 1.06 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1ss8 h ASP 115 CO 0.10 1.23 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.61 1ss8 h LEU 116 N 0.65 -0.58 -1.11 1.55 4.07 -1.11 -1.58 115.31 117.20 1ss8 h LEU 116 Ca 0.05 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.22 1ss8 h LEU 116 Cb 0.99 0.32 -0.06 0.00 1.08 0.00 0.00 40.66 42.99 1ss8 h LEU 116 CO 0.10 -0.21 0.61 0.50 -1.08 0.00 0.00 178.44 178.36 1ss8 h LYS 117 N -0.11 1.01 -0.29 1.13 3.64 -0.89 -0.73 116.57 120.33 1ss8 h LYS 117 Ca 0.18 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1ss8 h LYS 117 Cb 0.39 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ss8 h LYS 117 CO -0.43 0.67 0.12 -0.09 -2.27 0.00 0.00 179.45 177.45 1ss8 h ARG 118 N 1.04 0.43 0.42 1.90 2.43 -0.68 -0.64 114.38 119.28 1ss8 h ARG 118 Ca 0.42 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1ss8 h ARG 118 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1ss8 h ARG 118 CO -0.17 0.44 -0.29 0.78 -1.51 0.00 0.00 179.97 179.22 1ss8 h GLY 119 N 0.32 -0.73 -0.48 2.80 0.00 -0.96 0.11 103.07 104.13 1ss8 h GLY 119 Ca 0.10 0.32 0.21 0.00 0.00 0.00 0.00 47.33 47.96 1ss8 h GLY 119 CO -0.01 -0.28 0.09 -2.22 0.00 0.00 0.00 176.54 174.13 1ss8 h ILE 120 N -0.69 0.28 -0.46 2.60 2.04 -1.10 -0.08 117.51 120.11 1ss8 h ILE 120 Ca -0.04 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 1ss8 h ILE 120 Cb 0.58 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1ss8 h ILE 120 CO 0.02 0.02 -0.17 0.44 0.00 0.00 0.00 178.15 178.47 1ss8 h ASP 121 N 0.13 0.88 -0.04 1.72 3.32 -0.50 -1.85 116.42 120.08 1ss8 h ASP 121 Ca 0.49 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1ss8 h ASP 121 Cb 0.94 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1ss8 h ASP 121 CO -0.70 1.04 -0.02 0.50 -1.72 0.00 0.00 179.24 178.34 1ss8 h LYS 122 N 0.77 0.09 -0.74 3.56 3.64 -0.06 -1.30 116.57 122.53 1ss8 h LYS 122 Ca 0.11 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.62 1ss8 h LYS 122 Cb 0.70 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 1ss8 h LYS 122 CO 0.05 0.47 0.03 0.00 -2.27 0.00 0.00 179.45 177.74 1ss8 h ALA 123 N 0.62 0.80 -0.06 5.00 0.00 -0.92 -1.44 119.26 123.26 1ss8 h ALA 123 Ca 0.01 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1ss8 h ALA 123 Cb 0.44 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ss8 h ALA 123 CO 0.01 -0.41 -0.65 0.28 0.00 0.00 0.00 179.25 178.47 1ss8 h VAL 124 N 0.13 1.40 -0.33 0.00 2.07 -1.14 0.49 116.25 118.87 1ss8 h VAL 124 Ca 0.41 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1ss8 h VAL 124 Cb 0.72 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1ss8 h VAL 124 CO -0.63 0.62 0.12 0.74 0.02 0.00 0.00 177.57 178.44 1ss8 h THR 125 N 0.18 1.19 -0.27 2.57 2.02 -0.67 -1.17 112.91 116.76 1ss8 h THR 125 Ca -0.01 -0.59 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 1ss8 h THR 125 Cb 1.18 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1ss8 h THR 125 CO 0.10 0.21 -0.29 0.58 0.37 0.00 0.00 175.52 176.49 1ss8 h VAL 126 N 0.39 1.31 -0.29 3.16 2.07 -0.80 -2.43 116.25 119.66 1ss8 h VAL 126 Ca 0.11 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.22 1ss8 h VAL 126 Cb 0.20 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1ss8 h VAL 126 CO -0.01 0.46 0.20 0.00 0.02 0.00 0.00 177.57 178.24 1ss8 h ALA 127 N 0.69 2.08 -0.15 1.67 0.00 0.08 -1.50 119.26 122.13 1ss8 h ALA 127 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ss8 h ALA 127 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ss8 h ALA 127 CO 0.07 -0.14 -0.39 0.28 0.00 0.00 0.00 179.25 179.07 1ss8 h VAL 128 N 0.15 1.35 -1.00 0.00 2.07 -0.90 0.18 116.25 118.10 1ss8 h VAL 128 Ca 0.13 -1.66 0.19 0.00 0.82 0.00 0.00 66.70 66.18 1ss8 h VAL 128 Cb 0.32 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 1ss8 h VAL 128 CO -0.02 0.50 0.61 -0.33 0.02 0.00 0.00 177.57 178.36 1ss8 h GLU 129 N 0.16 0.71 -0.21 1.57 5.08 -0.89 -1.80 114.58 119.20 1ss8 h GLU 129 Ca -0.01 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1ss8 h GLU 129 Cb 1.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1ss8 h GLU 129 CO 0.08 0.47 -0.28 0.93 -1.00 0.00 0.00 179.01 179.21 1ss8 h GLU 130 N 0.73 0.56 -0.91 2.33 4.39 -0.60 -2.47 114.58 118.61 1ss8 h GLU 130 Ca 0.58 -0.32 0.10 0.00 0.34 0.00 0.00 59.36 60.05 1ss8 h GLU 130 Cb 0.94 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 1ss8 h GLU 130 CO -0.37 0.92 0.55 -0.07 -1.16 0.00 0.00 179.01 178.89 1ss8 h LEU 131 N 0.24 0.82 -1.40 1.33 3.38 0.13 -0.69 115.31 119.11 1ss8 h LEU 131 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ss8 h LEU 131 Cb 0.86 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1ss8 h LEU 131 CO 0.07 0.46 0.27 0.50 0.09 0.00 0.00 178.44 179.83 1ss8 h LYS 132 N 0.92 0.68 0.11 1.13 3.64 -1.08 -2.51 116.57 119.45 1ss8 h LYS 132 Ca 0.44 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.48 1ss8 h LYS 132 Cb 0.38 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ss8 h LYS 132 CO -0.24 0.50 -1.26 0.00 -2.27 0.00 0.00 179.45 176.18 1ss8 h ALA 133 N 1.61 0.17 0.00 5.00 0.00 -0.74 -3.06 119.26 122.24 1ss8 h ALA 133 Ca 0.18 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ss8 h ALA 133 Cb 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ss8 h ALA 133 CO -0.03 1.05 -0.01 1.25 0.00 0.00 0.00 179.25 181.51 1ss8 h LEU 134 N 0.06 0.00 -9.87 0.00 5.85 -0.95 -3.46 115.31 106.94 1ss8 h LEU 134 Ca -0.13 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.08 1ss8 h LEU 134 Cb 1.95 0.00 0.04 0.00 0.37 0.00 0.00 40.66 43.02 1ss8 h LEU 134 CO 0.19 0.01 0.52 -0.55 -0.34 0.00 0.00 178.44 178.27 1ss8 s SER 135 N -5.69 6.93 -0.22 1.25 0.15 -0.97 -4.91 113.70 110.24 1ss8 s SER 135 Ca 0.01 2.39 -0.07 0.00 0.70 0.00 0.00 55.95 58.97 1ss8 s SER 135 Cb 0.09 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1ss8 s SER 135 CO 0.54 -0.39 0.06 -0.69 1.20 0.00 0.00 173.24 173.96 1ss8 s VAL 136 N -1.24 4.39 0.69 4.45 1.01 -0.45 -4.88 120.40 124.36 1ss8 s VAL 136 Ca 0.49 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1ss8 s VAL 136 Cb -0.33 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ss8 s VAL 136 CO 0.43 0.38 1.22 -2.16 0.00 0.00 0.00 175.10 174.97 1ss8 s PRO 137 N 1.20 2.38 -0.52 2.72 0.04 -1.26 -2.18 135.00 137.38 1ss8 s PRO 137 Ca 0.04 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1ss8 s PRO 137 Cb -0.14 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.71 1ss8 s PRO 137 CO 0.03 -1.66 0.38 0.00 0.04 0.00 0.00 177.00 175.79 1ss8 n SER 139 N 2.62 0.21 -4.71 0.00 3.41 -1.26 -4.22 113.62 109.67 1ss8 n SER 139 Ca 0.24 -1.04 -0.24 0.00 -0.26 0.00 0.00 58.87 57.57 1ss8 n SER 139 Cb 0.42 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1ss8 n SER 139 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1ss8 s ASP 140 N -0.04 4.48 0.28 4.04 -4.77 -1.26 -5.01 116.67 114.39 1ss8 s ASP 140 Ca 0.00 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 48.33 1ss8 s ASP 140 Cb 0.00 -0.59 0.52 0.00 -1.09 0.00 0.00 42.92 41.75 1ss8 s ASP 140 CO 0.00 -0.37 1.84 0.28 0.70 0.00 0.00 175.17 177.62 1ss8 h SER 141 N 1.56 0.94 -0.41 2.11 0.02 -1.97 -1.14 113.55 114.66 1ss8 h SER 141 Ca -0.43 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1ss8 h SER 141 Cb 1.25 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1ss8 h SER 141 CO 0.66 0.52 0.07 0.11 -1.14 0.00 0.00 176.83 177.05 1ss8 h LYS 142 N 1.02 0.67 -0.40 3.45 6.56 -2.00 -1.53 116.57 124.34 1ss8 h LYS 142 Ca 0.48 -0.18 -0.10 0.00 -1.06 0.00 0.00 60.65 59.80 1ss8 h LYS 142 Cb 0.43 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1ss8 h LYS 142 CO -0.25 0.71 -0.15 0.00 -2.06 0.00 0.00 179.45 177.70 1ss8 h ALA 143 N 0.93 0.98 -0.30 3.86 0.00 -1.80 -1.98 119.26 120.95 1ss8 h ALA 143 Ca 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ss8 h ALA 143 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ss8 h ALA 143 CO 0.01 0.60 0.10 0.82 0.00 0.00 0.00 179.25 180.78 1ss8 h ILE 144 N 0.67 1.19 -0.43 0.00 2.04 -1.04 -0.93 117.51 119.02 1ss8 h ILE 144 Ca 0.11 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.42 1ss8 h ILE 144 Cb 0.63 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1ss8 h ILE 144 CO 0.04 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.53 1ss8 h ALA 145 N 0.94 0.50 -0.48 1.87 0.00 -1.09 -0.69 119.26 120.32 1ss8 h ALA 145 Ca 0.10 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ss8 h ALA 145 Cb 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ss8 h ALA 145 CO -0.01 -0.26 0.31 1.96 0.00 0.00 0.00 179.25 181.25 1ss8 h GLN 146 N 0.29 0.61 -0.33 0.00 4.20 -0.93 0.22 115.11 119.16 1ss8 h GLN 146 Ca 0.20 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1ss8 h GLN 146 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ss8 h GLN 146 CO -0.23 0.40 -0.32 0.28 -0.67 0.00 0.00 178.83 178.29 1ss8 h VAL 147 N 0.62 1.29 -0.38 -0.54 2.07 -0.85 -1.51 116.25 116.96 1ss8 h VAL 147 Ca 0.18 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 1ss8 h VAL 147 Cb -0.05 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1ss8 h VAL 147 CO -0.05 0.49 -0.21 1.23 0.02 0.00 0.00 177.57 179.04 1ss8 h GLY 148 N 0.58 0.81 2.00 2.17 0.00 -0.79 -0.92 103.07 106.92 1ss8 h GLY 148 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 1ss8 h GLY 148 CO 0.08 0.62 -0.62 -0.91 0.00 0.00 0.00 176.54 175.71 1ss8 h THR 149 N 0.65 1.40 -0.06 4.70 1.35 -0.29 -1.76 112.91 118.90 1ss8 h THR 149 Ca 0.09 -2.16 -0.01 0.00 -0.55 0.00 0.00 66.41 63.78 1ss8 h THR 149 Cb 0.71 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1ss8 h THR 149 CO 0.05 0.61 -0.01 0.40 -0.25 0.00 0.00 175.52 176.32 1ss8 h ILE 150 N 0.00 1.28 0.00 6.82 2.04 -1.03 0.11 117.51 126.74 1ss8 h ILE 150 Ca -0.01 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1ss8 h ILE 150 Cb 1.13 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1ss8 h ILE 150 CO 0.08 0.24 0.00 0.28 0.00 0.00 0.00 178.15 178.75 1ss8 h SER 151 N -0.21 0.00 -0.77 1.72 0.02 -1.09 -2.32 113.55 110.91 1ss8 h SER 151 Ca 0.02 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.59 1ss8 h SER 151 Cb 0.39 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.71 1ss8 h SER 151 CO 0.01 0.00 0.39 0.00 -1.14 0.00 0.00 176.83 176.08 1ss8 n ALA 152 N -2.03 5.05 -3.32 3.77 0.00 -0.67 -4.50 120.51 118.81 1ss8 n ALA 152 Ca -0.03 -2.88 -0.17 0.00 0.00 0.00 0.00 53.44 50.36 1ss8 n ALA 152 Cb 0.06 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.38 1ss8 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ss8 n ASN 153 N -0.99 -3.56 -1.21 0.00 2.85 -0.87 -2.99 115.26 108.49 1ss8 n ASN 153 Ca 0.49 -0.51 -0.14 0.00 -0.11 0.00 0.00 54.58 54.31 1ss8 n ASN 153 Cb 1.45 -4.47 -0.04 0.00 1.24 0.00 0.00 39.78 37.95 1ss8 n ASN 153 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ss8 n SER 154 N -2.67 -4.56 -4.40 1.20 7.64 0.36 -4.98 113.62 106.22 1ss8 n SER 154 Ca -0.15 0.24 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 1ss8 n SER 154 Cb 0.61 -3.41 -0.04 0.00 -1.01 0.00 0.00 64.21 60.35 1ss8 n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ss8 s ASP 155 N -2.72 6.18 0.61 6.43 -1.08 -1.16 -4.91 116.67 120.03 1ss8 s ASP 155 Ca 0.00 -1.30 0.40 0.00 -0.52 0.00 0.00 52.55 51.13 1ss8 s ASP 155 Cb 0.00 -2.34 2.03 0.00 -1.46 0.00 0.00 42.92 41.15 1ss8 s ASP 155 CO 0.00 -1.21 2.22 1.05 0.52 0.00 0.00 175.17 177.75 1ss8 h GLU 156 N 9.30 0.00 0.13 4.34 4.11 -1.92 -2.60 114.58 127.93 1ss8 h GLU 156 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 1ss8 h GLU 156 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ss8 h GLU 156 CO 1.12 0.00 -0.06 1.15 0.07 0.00 0.00 179.01 181.29 1ss8 h THR 157 N 0.00 1.00 -0.49 -1.06 2.02 -1.98 -2.24 112.91 110.17 1ss8 h THR 157 Ca 0.00 -0.53 0.07 0.00 0.77 0.00 0.00 66.41 66.72 1ss8 h THR 157 Cb 0.18 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1ss8 h THR 157 CO 0.00 0.13 0.16 0.58 0.37 0.00 0.00 175.52 176.75 1ss8 h VAL 158 N -0.42 0.81 -0.07 3.16 2.07 -1.83 0.31 116.25 120.28 1ss8 h VAL 158 Ca -0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ss8 h VAL 158 Cb 0.34 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1ss8 h VAL 158 CO 0.03 0.06 -0.33 1.23 0.02 0.00 0.00 177.57 178.57 1ss8 h GLY 159 N 0.32 -0.51 -0.00 2.17 0.00 -1.53 -0.73 103.07 102.79 1ss8 h GLY 159 Ca 0.24 0.41 0.13 0.00 0.00 0.00 0.00 47.33 48.10 1ss8 h GLY 159 CO -0.26 -0.23 0.05 1.70 0.00 0.00 0.00 176.54 177.80 1ss8 h LYS 160 N -0.44 0.16 -0.64 4.80 3.64 -0.89 -1.87 116.57 121.32 1ss8 h LYS 160 Ca 0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1ss8 h LYS 160 Cb 0.56 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1ss8 h LYS 160 CO -0.32 0.11 0.23 -0.07 -2.27 0.00 0.00 179.45 177.13 1ss8 h LEU 161 N 0.16 0.90 0.20 5.20 3.38 0.42 -0.80 115.31 124.79 1ss8 h LEU 161 Ca 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ss8 h LEU 161 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ss8 h LEU 161 CO -0.50 0.85 -0.10 0.40 0.09 0.00 0.00 178.44 179.19 1ss8 h ILE 162 N 0.91 0.85 -0.76 1.22 1.08 -0.75 -1.87 117.51 118.19 1ss8 h ILE 162 Ca 0.21 -0.27 0.16 0.00 -0.39 0.00 0.00 64.86 64.57 1ss8 h ILE 162 Cb 0.24 1.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.91 1ss8 h ILE 162 CO -0.01 0.06 0.27 0.00 -0.69 0.00 0.00 178.15 177.78 1ss8 h ALA 163 N 0.36 1.06 -0.19 1.87 0.00 -1.07 0.88 119.26 122.17 1ss8 h ALA 163 Ca -0.03 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ss8 h ALA 163 Cb 0.31 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ss8 h ALA 163 CO 0.05 -0.27 0.11 0.93 0.00 0.00 0.00 179.25 180.07 1ss8 h GLU 164 N 0.38 0.27 -0.05 0.00 5.08 -1.02 0.02 114.58 119.24 1ss8 h GLU 164 Ca 0.43 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1ss8 h GLU 164 Cb 0.70 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ss8 h GLU 164 CO -0.45 0.24 -0.07 0.00 -1.00 0.00 0.00 179.01 177.72 1ss8 h ALA 165 N 1.01 -0.03 0.00 3.43 0.00 -0.38 -0.81 119.26 122.49 1ss8 h ALA 165 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ss8 h ALA 165 Cb 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ss8 h ALA 165 CO -0.01 -0.55 -0.18 0.52 0.00 0.00 0.00 179.25 179.03 1ss8 h MET 166 N -0.10 0.00 -0.16 0.00 2.86 -0.66 0.34 114.93 117.20 1ss8 h MET 166 Ca 0.05 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 1ss8 h MET 166 Cb 0.17 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1ss8 h MET 166 CO -0.11 0.18 -0.67 0.22 1.06 0.00 0.00 176.91 177.58 1ss8 h ASP 167 N 0.00 0.88 0.88 1.22 3.58 -0.55 0.20 116.42 122.63 1ss8 h ASP 167 Ca -0.00 -0.62 -0.03 0.00 0.42 0.00 0.00 57.03 56.80 1ss8 h ASP 167 Cb 0.33 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1ss8 h ASP 167 CO 0.02 1.35 -0.14 0.50 -2.88 0.00 0.00 179.24 178.09 1ss8 h LYS 168 N 0.46 0.00 0.00 0.28 1.63 0.47 -3.37 116.57 116.04 1ss8 h LYS 168 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ss8 h LYS 168 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1ss8 h LYS 168 CO 0.14 0.14 0.00 1.55 -3.45 0.00 0.00 179.45 177.83 1ss8 n VAL 169 N -3.32 0.05 0.00 2.00 3.14 -0.30 -5.07 118.33 114.83 1ss8 n VAL 169 Ca 0.00 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1ss8 n VAL 169 Cb 0.36 1.43 0.00 0.00 -1.06 0.00 0.00 33.84 34.57 1ss8 n VAL 169 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ss8 n GLY 170 N -0.03 0.69 0.32 7.55 0.00 0.69 -3.77 105.19 110.64 1ss8 n GLY 170 Ca 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 1ss8 n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ss8 h LYS 171 N 0.00 0.98 -0.00 1.61 1.57 -1.95 -2.04 116.57 116.73 1ss8 h LYS 171 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ss8 h LYS 171 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ss8 h LYS 171 CO 0.00 0.85 -0.04 0.39 -0.57 0.00 0.00 179.45 180.08 1ss8 n GLU 172 N -4.26 0.92 -1.73 3.15 -0.58 -1.26 -4.95 120.64 111.92 1ss8 n GLU 172 Ca 0.05 -0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.25 1ss8 n GLU 172 Cb 0.23 -1.49 0.15 0.00 -0.57 0.00 0.00 31.44 29.76 1ss8 n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ss8 s GLY 173 N -2.25 1.65 -0.13 0.62 0.00 -0.77 -5.01 107.32 101.43 1ss8 s GLY 173 Ca 0.37 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 1ss8 s GLY 173 CO 0.42 -0.20 0.43 0.54 0.00 0.00 0.00 173.10 174.28 1ss8 s VAL 174 N -3.56 5.22 -0.06 1.40 0.11 -1.26 -4.97 120.40 117.28 1ss8 s VAL 174 Ca 0.68 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.58 1ss8 s VAL 174 Cb -0.09 -3.77 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 1ss8 s VAL 174 CO 0.52 0.34 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.92 1ss8 s ILE 175 N 0.62 0.85 0.37 7.04 1.01 -1.26 -1.14 121.20 128.69 1ss8 s ILE 175 Ca 0.23 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1ss8 s ILE 175 Cb -0.14 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1ss8 s ILE 175 CO 0.08 0.30 0.07 0.42 0.00 0.00 0.00 174.94 175.81 1ss8 s THR 176 N 0.98 2.52 -0.08 2.92 -4.23 0.61 -4.95 115.64 113.41 1ss8 s THR 176 Ca -0.09 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1ss8 s THR 176 Cb -0.15 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.81 1ss8 s THR 176 CO 0.00 -0.13 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.05 1ss8 s VAL 177 N -2.55 1.83 0.33 2.29 1.01 -1.26 -0.91 120.40 121.14 1ss8 s VAL 177 Ca 0.37 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1ss8 s VAL 177 Cb 0.02 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 1ss8 s VAL 177 CO 0.20 0.51 0.07 -1.61 0.00 0.00 0.00 175.10 174.27 1ss8 s GLU 178 N 0.24 1.66 0.54 2.72 2.02 0.44 -4.96 118.70 121.36 1ss8 s GLU 178 Ca -0.13 -1.93 -0.22 0.00 0.02 0.00 0.00 54.97 52.71 1ss8 s GLU 178 Cb -0.16 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.23 1ss8 s GLU 178 CO 0.06 -0.23 1.35 -0.51 0.02 0.00 0.00 175.26 175.95 1ss8 s ASP 179 N -3.49 5.33 0.80 -0.19 1.11 -1.26 -2.40 116.67 116.57 1ss8 s ASP 179 Ca 0.35 2.75 -0.04 0.00 0.18 0.00 0.00 52.55 55.79 1ss8 s ASP 179 Cb 0.08 -2.63 0.16 0.00 1.07 0.00 0.00 42.92 41.60 1ss8 s ASP 179 CO 0.15 -1.53 1.09 -0.83 1.18 0.00 0.00 175.17 175.23 1ss8 s GLY 180 N -0.96 1.76 -0.00 0.21 0.00 -0.79 -4.44 107.32 103.10 1ss8 s GLY 180 Ca 0.71 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1ss8 s GLY 180 CO 0.47 -1.09 0.16 -1.30 0.00 0.00 0.00 173.10 171.35 1ss8 n THR 181 N -3.09 0.00 -0.30 0.90 -2.24 -1.26 -4.94 114.28 103.35 1ss8 n THR 181 Ca 0.17 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ss8 n THR 181 Cb 0.60 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1ss8 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ss8 n GLY 182 N 1.29 3.34 0.15 3.38 0.00 -1.26 -5.02 105.19 107.07 1ss8 n GLY 182 Ca 0.01 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1ss8 n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ss8 h LEU 183 N 0.00 0.75 -9.89 0.99 5.85 -1.92 -3.03 115.31 108.06 1ss8 h LEU 183 Ca 0.00 -0.76 -0.50 0.00 0.84 0.00 0.00 57.88 57.46 1ss8 h LEU 183 Cb 0.00 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 40.82 1ss8 h LEU 183 CO 0.00 1.58 0.47 -1.10 -0.34 0.00 0.00 178.44 179.06 1ss8 s GLN 184 N -2.75 4.35 0.54 1.25 -1.52 -1.26 -3.04 119.66 117.23 1ss8 s GLN 184 Ca -0.08 1.76 -0.19 0.00 -1.95 0.00 0.00 55.36 54.90 1ss8 s GLN 184 Cb 0.05 -2.88 -0.06 0.00 -0.22 0.00 0.00 33.01 29.90 1ss8 s GLN 184 CO 0.93 -0.04 1.08 -0.51 -0.25 0.00 0.00 175.29 176.50 1ss8 s ASP 185 N -1.11 5.91 0.06 5.90 1.01 -1.26 -3.57 116.67 123.61 1ss8 s ASP 185 Ca 0.51 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.81 1ss8 s ASP 185 Cb -0.29 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.05 1ss8 s ASP 185 CO 0.37 -1.08 -0.09 -1.61 0.21 0.00 0.00 175.17 172.97 1ss8 s GLU 186 N -3.47 0.64 -0.06 8.23 2.02 0.43 -4.93 118.70 121.56 1ss8 s GLU 186 Ca 0.69 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1ss8 s GLU 186 Cb -0.19 -0.42 0.03 0.00 0.10 0.00 0.00 34.13 33.65 1ss8 s GLU 186 CO 0.27 0.08 0.06 -1.17 0.02 0.00 0.00 175.26 174.52 1ss8 s LEU 187 N -1.78 0.19 0.04 1.80 2.96 -1.26 -0.81 118.68 119.82 1ss8 s LEU 187 Ca -0.06 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1ss8 s LEU 187 Cb -0.08 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1ss8 s LEU 187 CO 0.00 -0.26 -0.01 1.51 -1.32 0.00 0.00 176.35 176.27 1ss8 s ASP 188 N 2.16 0.39 -0.10 3.68 -4.77 -0.94 -4.98 116.67 112.10 1ss8 s ASP 188 Ca 0.05 -0.83 -0.10 0.00 -3.30 0.00 0.00 52.55 48.36 1ss8 s ASP 188 Cb -0.13 0.18 -0.05 0.00 -1.09 0.00 0.00 42.92 41.84 1ss8 s ASP 188 CO -0.04 -0.52 0.23 -0.69 0.70 0.00 0.00 175.17 174.85 1ss8 s VAL 189 N -3.21 5.34 0.03 2.11 1.01 -1.26 -0.47 120.40 123.95 1ss8 s VAL 189 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1ss8 s VAL 189 Cb 0.03 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1ss8 s VAL 189 CO -0.07 0.55 -0.06 0.54 0.00 0.00 0.00 175.10 176.06 1ss8 s VAL 190 N -0.66 0.38 0.29 2.92 0.11 -0.58 -4.98 120.40 117.88 1ss8 s VAL 190 Ca 0.17 -0.94 -0.30 0.00 -2.93 0.00 0.00 61.98 57.98 1ss8 s VAL 190 Cb -0.13 -0.46 -0.12 0.00 -1.53 0.00 0.00 36.38 34.14 1ss8 s VAL 190 CO 0.06 -0.38 1.54 -0.62 -3.33 0.00 0.00 175.10 172.37 1ss8 n GLU 191 N 1.65 2.54 -3.30 1.54 -0.58 -1.26 -1.52 120.64 119.71 1ss8 n GLU 191 Ca -0.22 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1ss8 n GLU 191 Cb 0.55 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 1ss8 n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ss8 n GLY 192 N 2.01 -1.50 3.58 0.62 0.00 -1.26 -0.86 105.19 107.78 1ss8 n GLY 192 Ca 0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1ss8 n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ss8 s MET 193 N -1.45 0.73 -0.05 1.61 1.75 -0.16 -3.90 119.30 117.83 1ss8 s MET 193 Ca 0.00 0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.80 1ss8 s MET 193 Cb 0.00 0.34 0.00 0.00 2.84 0.00 0.00 34.83 38.02 1ss8 s MET 193 CO 0.00 -0.20 -0.15 -1.14 -0.65 0.00 0.00 175.02 172.88 1ss8 s GLN 194 N -0.79 1.73 0.24 4.11 0.74 -1.26 -0.86 119.66 123.57 1ss8 s GLN 194 Ca -0.03 -0.54 0.07 0.00 0.05 0.00 0.00 55.36 54.90 1ss8 s GLN 194 Cb -0.01 -1.48 -0.05 0.00 1.10 0.00 0.00 33.01 32.56 1ss8 s GLN 194 CO 0.03 0.18 -0.10 -0.59 -0.55 0.00 0.00 175.29 174.26 1ss8 s PHE 195 N 0.20 1.82 -1.29 1.67 -0.71 -0.58 -5.02 117.98 114.07 1ss8 s PHE 195 Ca -0.07 -0.65 -0.06 0.00 -1.04 0.00 0.00 56.93 55.11 1ss8 s PHE 195 Cb -0.12 -0.95 0.15 0.00 -1.21 0.00 0.00 43.02 40.88 1ss8 s PHE 195 CO 0.03 0.30 2.24 -0.25 -1.34 0.00 0.00 175.22 176.20 1ss8 n ASP 196 N -0.48 7.48 -3.82 1.98 8.00 -1.26 -1.70 116.55 126.74 1ss8 n ASP 196 Ca -0.07 -3.18 -0.17 0.00 0.71 0.00 0.00 54.79 52.09 1ss8 n ASP 196 Cb 0.62 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.19 1ss8 n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ss8 s ARG 197 N -1.15 0.31 0.61 -1.24 1.81 -1.22 -4.79 118.95 113.29 1ss8 s ARG 197 Ca 0.50 0.06 0.02 0.00 -1.72 0.00 0.00 55.73 54.59 1ss8 s ARG 197 Cb 0.17 -0.48 0.12 0.00 -0.45 0.00 0.00 34.95 34.31 1ss8 s ARG 197 CO -0.08 -0.13 0.84 0.41 -0.68 0.00 0.00 175.30 175.67 1ss8 n GLY 198 N 4.09 0.92 3.73 -3.53 0.00 -1.25 -1.95 105.19 107.19 1ss8 n GLY 198 Ca -0.27 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 1ss8 n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ss8 s TYR 199 N -2.58 2.11 -0.34 1.61 -0.85 -0.31 -4.36 117.35 112.63 1ss8 s TYR 199 Ca 0.57 1.55 0.23 0.00 -0.52 0.00 0.00 57.07 58.90 1ss8 s TYR 199 Cb -0.03 -3.54 0.17 0.00 0.38 0.00 0.00 41.96 38.94 1ss8 s TYR 199 CO 0.38 -2.64 1.34 -0.07 -1.52 0.00 0.00 175.55 173.04 1ss8 h LEU 200 N 0.12 0.00 -7.80 -3.49 3.38 -1.45 -3.45 115.31 102.62 1ss8 h LEU 200 Ca -0.49 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.29 1ss8 h LEU 200 Cb 1.31 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.82 1ss8 h LEU 200 CO 0.51 0.02 -0.65 -0.94 0.09 0.00 0.00 178.44 177.48 1ss8 s SER 201 N -5.82 0.07 0.29 -0.43 1.04 -1.26 -5.03 113.70 102.55 1ss8 s SER 201 Ca 0.03 -0.17 0.15 0.00 0.48 0.00 0.00 55.95 56.45 1ss8 s SER 201 Cb 0.07 0.12 0.81 0.00 0.10 0.00 0.00 66.02 67.12 1ss8 s SER 201 CO 0.73 -0.18 1.39 -2.65 0.98 0.00 0.00 173.24 173.51 1ss8 n PRO 202 N 2.26 0.10 0.17 4.02 -0.02 -1.26 -3.12 135.00 137.15 1ss8 n PRO 202 Ca -0.18 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1ss8 n PRO 202 Cb 0.57 -2.00 0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1ss8 n PRO 202 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1ss8 h TYR 203 N 0.00 0.00 0.00 6.00 0.05 -1.98 -3.10 116.97 117.94 1ss8 h TYR 203 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ss8 h TYR 203 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1ss8 h TYR 203 CO 0.00 0.18 0.00 0.74 -1.05 0.00 0.00 178.16 178.03 1ss8 h PHE 204 N 0.00 0.00 -1.51 4.88 0.04 -1.88 -3.43 116.94 115.05 1ss8 h PHE 204 Ca -0.01 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 1ss8 h PHE 204 Cb 1.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1ss8 h PHE 204 CO 0.00 0.00 1.58 -0.89 -0.60 0.00 0.00 178.31 178.40 1ss8 n ILE 205 N -2.30 0.08 1.13 -0.55 5.41 -1.17 -4.76 119.36 117.21 1ss8 n ILE 205 Ca 0.01 -0.56 0.12 0.00 1.00 0.00 0.00 62.75 63.32 1ss8 n ILE 205 Cb 0.16 -2.38 0.19 0.00 -0.71 0.00 0.00 39.64 36.90 1ss8 n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1ss8 n ASN 206 N 13.43 1.83 -3.70 4.38 0.23 -1.11 -4.59 115.26 125.73 1ss8 n ASN 206 Ca 0.38 -1.41 -0.28 0.00 -0.53 0.00 0.00 54.58 52.74 1ss8 n ASN 206 Cb 0.43 0.24 -0.11 0.00 -2.08 0.00 0.00 39.78 38.26 1ss8 n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ss8 n LYS 207 N 0.04 1.39 0.28 -3.83 5.02 -0.67 -4.99 118.16 115.41 1ss8 n LYS 207 Ca 0.12 -4.09 0.18 0.00 -2.02 0.00 0.00 58.31 52.50 1ss8 n LYS 207 Cb 0.44 -2.08 0.97 0.00 -0.02 0.00 0.00 35.03 34.34 1ss8 n LYS 207 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ss8 h PRO 208 N 5.31 0.00 -0.11 1.97 0.13 -1.81 -1.69 132.00 135.80 1ss8 h PRO 208 Ca 0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 1ss8 h PRO 208 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1ss8 h PRO 208 CO 0.62 0.00 -0.66 0.93 -0.23 0.00 0.00 178.00 178.66 1ss8 h GLU 209 N 0.00 0.45 0.00 0.86 3.07 -1.95 -2.16 114.58 114.85 1ss8 h GLU 209 Ca 0.03 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1ss8 h GLU 209 Cb 0.30 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1ss8 h GLU 209 CO -0.00 0.95 -0.54 2.41 -1.40 0.00 0.00 179.01 180.43 1ss8 n THR 210 N -3.89 0.26 -3.36 1.13 -1.04 -1.08 -4.97 114.28 101.34 1ss8 n THR 210 Ca -0.04 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 61.54 1ss8 n THR 210 Cb 0.66 -0.07 0.06 0.00 -1.82 0.00 0.00 70.33 69.16 1ss8 n THR 210 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ss8 n GLY 211 N 1.38 -0.54 3.61 3.41 0.00 -0.69 -5.03 105.19 107.34 1ss8 n GLY 211 Ca 0.04 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1ss8 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss8 s ALA 212 N -3.26 3.15 -0.15 4.61 0.00 -0.89 -4.62 121.76 120.59 1ss8 s ALA 212 Ca 0.47 -1.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1ss8 s ALA 212 Cb -0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1ss8 s ALA 212 CO 0.58 0.07 -0.07 0.08 0.00 0.00 0.00 175.76 176.42 1ss8 s VAL 213 N -2.54 3.59 -0.12 0.00 1.01 -0.23 -1.67 120.40 120.44 1ss8 s VAL 213 Ca 0.34 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ss8 s VAL 213 Cb 0.01 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1ss8 s VAL 213 CO 0.19 0.50 0.00 -0.70 0.00 0.00 0.00 175.10 175.09 1ss8 s GLU 214 N 0.46 0.75 -0.01 2.72 2.12 -1.26 -0.23 118.70 123.24 1ss8 s GLU 214 Ca -0.05 -0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.20 1ss8 s GLU 214 Cb -0.15 -1.49 -0.02 0.00 0.26 0.00 0.00 34.13 32.73 1ss8 s GLU 214 CO 0.03 -0.43 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.60 1ss8 s LEU 215 N 1.89 2.05 -0.15 2.70 1.43 -0.55 -4.97 118.68 121.08 1ss8 s LEU 215 Ca 0.03 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1ss8 s LEU 215 Cb -0.14 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1ss8 s LEU 215 CO -0.07 0.26 -0.04 -1.61 0.23 0.00 0.00 176.35 175.12 1ss8 s GLU 216 N -0.56 3.63 -1.63 1.70 2.02 -1.26 -1.77 118.70 120.83 1ss8 s GLU 216 Ca 0.08 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 1ss8 s GLU 216 Cb -0.08 -2.89 0.11 0.00 0.10 0.00 0.00 34.13 31.37 1ss8 s GLU 216 CO -0.01 0.26 0.58 0.43 0.02 0.00 0.00 175.26 176.55 1ss8 n SER 217 N 3.48 -1.90 -4.81 -0.19 7.64 -0.76 -4.51 113.62 112.57 1ss8 n SER 217 Ca -0.17 -1.06 -0.33 0.00 1.01 0.00 0.00 58.87 58.31 1ss8 n SER 217 Cb 0.52 -2.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.10 1ss8 n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ss8 s PRO 218 N -6.92 3.86 0.34 1.43 0.04 -1.16 -4.58 135.00 128.02 1ss8 s PRO 218 Ca 0.48 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 1ss8 s PRO 218 Cb -0.26 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 1ss8 s PRO 218 CO 0.94 -0.36 0.86 -0.06 0.04 0.00 0.00 177.00 178.41 1ss8 s PHE 219 N -2.24 3.47 -0.16 0.56 0.08 -0.33 -3.05 117.98 116.31 1ss8 s PHE 219 Ca 0.64 1.52 0.01 0.00 0.12 0.00 0.00 56.93 59.21 1ss8 s PHE 219 Cb -0.13 -2.75 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1ss8 s PHE 219 CO 0.23 0.09 -0.18 0.42 -0.10 0.00 0.00 175.22 175.69 1ss8 s ILE 220 N -1.88 1.83 -0.24 0.64 1.01 0.16 -0.54 121.20 122.18 1ss8 s ILE 220 Ca 0.54 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 1ss8 s ILE 220 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1ss8 s ILE 220 CO 0.18 0.50 0.35 -0.22 0.00 0.00 0.00 174.94 175.76 1ss8 s LEU 221 N 1.28 4.10 -0.30 2.97 2.96 0.87 -1.61 118.68 128.95 1ss8 s LEU 221 Ca 0.03 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1ss8 s LEU 221 Cb -0.13 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.15 1ss8 s LEU 221 CO -0.10 -0.10 0.08 -0.76 -1.32 0.00 0.00 176.35 174.15 1ss8 s LEU 222 N 1.59 3.90 -0.15 -0.68 1.43 -1.26 -0.95 118.68 122.56 1ss8 s LEU 222 Ca 0.16 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ss8 s LEU 222 Cb -0.15 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.24 1ss8 s LEU 222 CO 0.08 -0.21 -0.03 0.00 0.23 0.00 0.00 176.35 176.42 1ss8 s ALA 223 N 1.48 1.23 -1.06 4.21 0.00 -0.72 -2.15 121.76 124.74 1ss8 s ALA 223 Ca 0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1ss8 s ALA 223 Cb -0.17 -1.03 0.15 0.00 0.00 0.00 0.00 23.12 22.06 1ss8 s ALA 223 CO 0.02 -0.74 1.28 0.34 0.00 0.00 0.00 175.76 176.66 1ss8 s ASP 224 N 1.75 6.83 0.00 0.00 2.15 -0.47 -2.83 116.67 124.10 1ss8 s ASP 224 Ca 0.02 -2.48 0.00 0.00 0.43 0.00 0.00 52.55 50.52 1ss8 s ASP 224 Cb -0.15 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1ss8 s ASP 224 CO -0.07 -0.92 0.00 2.29 -0.17 0.00 0.00 175.17 176.29 1ss8 n LYS 225 N 6.18 0.00 -2.91 4.34 2.85 -1.26 -4.09 118.16 123.27 1ss8 n LYS 225 Ca 0.30 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.16 1ss8 n LYS 225 Cb 0.46 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.80 1ss8 n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1ss8 s LYS 226 N -2.00 4.48 -0.67 -1.58 1.02 -1.26 -2.31 119.74 117.42 1ss8 s LYS 226 Ca 0.00 1.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.94 1ss8 s LYS 226 Cb 0.00 -3.46 0.17 0.00 -0.52 0.00 0.00 37.83 34.02 1ss8 s LYS 226 CO 0.00 0.00 0.63 0.42 -0.92 0.00 0.00 175.35 175.48 1ss8 s ILE 227 N 0.95 5.40 -0.23 2.17 1.01 -0.33 -4.86 121.20 125.31 1ss8 s ILE 227 Ca 0.43 -1.96 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 1ss8 s ILE 227 Cb -0.19 -4.40 -0.17 0.00 0.01 0.00 0.00 42.46 37.71 1ss8 s ILE 227 CO 0.22 -0.94 0.07 -1.20 0.00 0.00 0.00 174.94 173.08 1ss8 n SER 228 N 4.65 1.89 -4.84 3.58 7.64 -1.26 -2.03 113.62 123.25 1ss8 n SER 228 Ca -0.01 0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.91 1ss8 n SER 228 Cb 0.43 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1ss8 n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ss8 s ASN 229 N -7.03 6.90 0.20 6.43 0.01 -1.26 -1.94 114.94 118.24 1ss8 s ASN 229 Ca -0.31 1.25 0.21 0.00 -0.71 0.00 0.00 52.86 53.30 1ss8 s ASN 229 Cb 0.08 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.38 1ss8 s ASN 229 CO 0.57 -0.01 1.05 -0.29 -1.51 0.00 0.00 177.10 176.91 1ss8 h ILE 230 N 2.54 0.10 -0.84 0.60 2.10 -1.92 -3.36 117.51 116.73 1ss8 h ILE 230 Ca -0.48 -1.19 0.20 0.00 1.08 0.00 0.00 64.86 64.47 1ss8 h ILE 230 Cb 1.19 1.64 -0.12 0.00 -1.09 0.00 0.00 36.82 38.43 1ss8 h ILE 230 CO 0.66 0.06 0.29 0.03 -1.08 0.00 0.00 178.15 178.10 1ss8 h ARG 231 N 0.00 0.32 0.00 2.19 3.08 -2.02 0.12 114.38 118.07 1ss8 h ARG 231 Ca -0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1ss8 h ARG 231 Cb 1.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1ss8 h ARG 231 CO 0.01 0.21 -0.13 0.93 -1.07 0.00 0.00 179.97 179.92 1ss8 h GLU 232 N 0.33 0.00 0.01 0.04 5.08 -1.97 -3.28 114.58 114.79 1ss8 h GLU 232 Ca 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1ss8 h GLU 232 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ss8 h GLU 232 CO -0.54 0.13 -0.00 0.52 -1.00 0.00 0.00 179.01 178.11 1ss8 h MET 233 N 0.00 -0.01 -0.63 2.33 2.86 -0.97 -3.31 114.93 115.20 1ss8 h MET 233 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1ss8 h MET 233 Cb 0.37 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.94 1ss8 h MET 233 CO 0.02 0.77 -0.32 1.28 1.06 0.00 0.00 176.91 179.71 1ss8 n LEU 234 N -4.67 -0.57 -0.34 1.22 4.77 -1.06 -0.64 117.00 115.71 1ss8 n LEU 234 Ca -0.08 1.11 0.10 0.00 -0.03 0.00 0.00 56.01 57.11 1ss8 n LEU 234 Cb 0.38 -0.18 0.27 0.00 -2.33 0.00 0.00 43.42 41.55 1ss8 n LEU 234 CO 0.28 -0.94 1.19 1.55 -1.33 0.00 0.00 177.39 178.14 1ss8 h PRO 235 N 0.00 0.79 0.00 3.23 0.13 -1.82 0.79 132.00 135.12 1ss8 h PRO 235 Ca 0.14 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ss8 h PRO 235 Cb 0.30 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1ss8 h PRO 235 CO -0.60 0.52 -0.00 0.28 -0.23 0.00 0.00 178.00 177.97 1ss8 h VAL 236 N 0.82 1.62 -0.91 1.56 2.07 -1.07 -3.12 116.25 117.21 1ss8 h VAL 236 Ca 0.53 -1.83 0.20 0.00 0.82 0.00 0.00 66.70 66.41 1ss8 h VAL 236 Cb 0.70 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 33.27 1ss8 h VAL 236 CO -0.34 0.47 0.60 -0.07 0.02 0.00 0.00 177.57 178.26 1ss8 h LEU 237 N -0.78 0.46 -0.08 2.57 3.38 -0.45 -0.41 115.31 120.00 1ss8 h LEU 237 Ca -0.00 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ss8 h LEU 237 Cb 0.78 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ss8 h LEU 237 CO 0.00 0.19 -0.39 -0.33 0.09 0.00 0.00 178.44 178.00 1ss8 h GLU 238 N 0.46 0.40 0.00 1.13 5.08 -1.00 -2.59 114.58 118.07 1ss8 h GLU 238 Ca 0.48 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ss8 h GLU 238 Cb 1.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ss8 h GLU 238 CO -0.20 0.97 -0.04 0.00 -1.00 0.00 0.00 179.01 178.74 1ss8 h ALA 239 N 0.44 1.76 0.02 3.43 0.00 -1.13 -1.20 119.26 122.59 1ss8 h ALA 239 Ca -0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1ss8 h ALA 239 Cb 1.04 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ss8 h ALA 239 CO 0.08 0.05 -0.78 0.28 0.00 0.00 0.00 179.25 178.88 1ss8 h VAL 240 N 0.00 1.39 -0.21 0.00 2.07 -1.16 -3.22 116.25 115.13 1ss8 h VAL 240 Ca -0.00 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 1ss8 h VAL 240 Cb 0.08 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1ss8 h VAL 240 CO 0.01 0.65 0.05 0.00 0.02 0.00 0.00 177.57 178.29 1ss8 h ALA 241 N 0.31 1.70 -0.03 1.67 0.00 -0.99 -2.75 119.26 119.16 1ss8 h ALA 241 Ca -0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ss8 h ALA 241 Cb 1.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1ss8 h ALA 241 CO 0.15 0.24 -0.25 0.87 0.00 0.00 0.00 179.25 180.26 1ss8 h LYS 242 N 0.29 0.05 -0.00 0.00 1.57 -1.26 -2.08 116.57 115.14 1ss8 h LYS 242 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ss8 h LYS 242 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ss8 h LYS 242 CO -0.00 0.30 -0.27 0.00 -0.57 0.00 0.00 179.45 178.91 1ss8 n ALA 243 N -2.49 3.02 -0.92 3.86 0.00 -1.05 -4.95 120.51 117.98 1ss8 n ALA 243 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ss8 n ALA 243 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ss8 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ss8 n GLY 244 N 1.47 0.41 3.93 0.00 0.00 -0.78 -5.02 105.19 105.20 1ss8 n GLY 244 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1ss8 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss8 s LYS 245 N -0.65 3.51 0.96 1.61 1.02 -1.24 -5.05 119.74 119.90 1ss8 s LYS 245 Ca 0.00 -0.35 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 1ss8 s LYS 245 Cb 0.00 -2.77 0.19 0.00 -0.52 0.00 0.00 37.83 34.74 1ss8 s LYS 245 CO 0.00 0.30 1.29 -1.25 -0.92 0.00 0.00 175.35 174.77 1ss8 s PRO 246 N -3.75 0.65 -0.02 -1.68 0.04 -1.26 -4.62 135.00 124.35 1ss8 s PRO 246 Ca 0.39 -0.31 -0.01 0.00 0.04 0.00 0.00 61.00 61.12 1ss8 s PRO 246 Cb -0.10 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1ss8 s PRO 246 CO 0.31 -2.42 0.04 -1.17 0.04 0.00 0.00 177.00 173.80 1ss8 s LEU 247 N -5.94 1.35 -0.19 -3.56 2.96 -0.05 -1.19 118.68 112.05 1ss8 s LEU 247 Ca 0.72 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.63 1ss8 s LEU 247 Cb -0.05 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 1ss8 s LEU 247 CO 0.53 -0.09 0.05 -0.22 -1.32 0.00 0.00 176.35 175.31 1ss8 s LEU 248 N 0.70 3.70 -0.28 -0.68 2.96 0.30 -1.54 118.68 123.83 1ss8 s LEU 248 Ca -0.06 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 1ss8 s LEU 248 Cb -0.08 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1ss8 s LEU 248 CO -0.02 0.14 0.15 -0.63 -1.32 0.00 0.00 176.35 174.67 1ss8 s ILE 249 N 0.57 4.85 -0.39 6.68 -1.09 0.10 -0.09 121.20 131.84 1ss8 s ILE 249 Ca 0.03 -0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1ss8 s ILE 249 Cb -0.13 -3.35 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1ss8 s ILE 249 CO 0.01 0.22 0.17 -0.63 -1.23 0.00 0.00 174.94 173.49 1ss8 s ILE 250 N 1.68 3.47 0.32 2.92 1.01 -0.13 -0.73 121.20 129.75 1ss8 s ILE 250 Ca 0.06 -1.74 0.03 0.00 0.00 0.00 0.00 60.65 59.01 1ss8 s ILE 250 Cb -0.16 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1ss8 s ILE 250 CO 0.08 -0.52 0.08 0.00 0.00 0.00 0.00 174.94 174.58 1ss8 s ALA 251 N 1.24 2.28 0.25 9.38 0.00 -1.11 -1.76 121.76 132.04 1ss8 s ALA 251 Ca 0.04 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 1ss8 s ALA 251 Cb -0.22 0.80 0.42 0.00 0.00 0.00 0.00 23.12 24.12 1ss8 s ALA 251 CO -0.02 -0.36 1.82 1.49 0.00 0.00 0.00 175.76 178.69 1ss8 h GLU 252 N 2.13 0.82 -2.33 0.00 4.81 -1.30 0.27 114.58 118.99 1ss8 h GLU 252 Ca -0.39 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1ss8 h GLU 252 Cb 1.25 -0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1ss8 h GLU 252 CO 0.64 0.54 0.41 0.34 -0.73 0.00 0.00 179.01 180.22 1ss8 s ASP 253 N -5.64 -0.44 -0.19 1.04 2.15 -1.25 -4.25 116.67 108.09 1ss8 s ASP 253 Ca -0.12 0.11 -0.00 0.00 0.43 0.00 0.00 52.55 52.97 1ss8 s ASP 253 Cb 0.20 0.44 0.05 0.00 -0.30 0.00 0.00 42.92 43.30 1ss8 s ASP 253 CO 0.79 -0.66 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.38 1ss8 s VAL 254 N -2.85 1.26 0.28 1.11 1.01 -1.26 -1.18 120.40 118.77 1ss8 s VAL 254 Ca 0.02 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1ss8 s VAL 254 Cb -0.01 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1ss8 s VAL 254 CO -0.07 0.04 0.18 -1.61 0.00 0.00 0.00 175.10 173.65 1ss8 s GLU 255 N 1.55 2.74 0.00 2.72 2.02 -0.86 -4.72 118.70 122.14 1ss8 s GLU 255 Ca -0.02 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1ss8 s GLU 255 Cb -0.17 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1ss8 s GLU 255 CO -0.07 0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1ss8 n GLY 256 N -1.18 0.00 0.00 -1.39 0.00 -1.26 -2.51 105.19 98.85 1ss8 n GLY 256 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ss8 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ss8 n GLU 257 N 0.00 0.00 0.21 1.61 0.00 -1.26 -1.67 120.64 119.53 1ss8 n GLU 257 Ca 0.00 0.48 0.07 0.00 0.00 0.00 0.00 57.16 57.70 1ss8 n GLU 257 Cb 0.00 -1.40 0.47 0.00 0.00 0.00 0.00 31.44 30.51 1ss8 n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ss8 h ALA 258 N -1.88 1.24 0.86 4.31 0.00 -1.23 -2.55 119.26 120.01 1ss8 h ALA 258 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1ss8 h ALA 258 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ss8 h ALA 258 CO 0.00 0.36 -0.41 1.25 0.00 0.00 0.00 179.25 180.45 1ss8 h LEU 259 N 0.00 -0.97 -2.01 0.00 5.85 -1.53 -1.06 115.31 115.59 1ss8 h LEU 259 Ca -0.00 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1ss8 h LEU 259 Cb 0.62 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1ss8 h LEU 259 CO 0.04 -0.67 0.41 0.00 -0.34 0.00 0.00 178.44 177.88 1ss8 h ALA 260 N -1.06 2.47 0.04 1.25 0.00 -1.08 -1.34 119.26 119.53 1ss8 h ALA 260 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ss8 h ALA 260 Cb 0.89 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ss8 h ALA 260 CO 0.19 -0.69 -0.02 1.15 0.00 0.00 0.00 179.25 179.88 1ss8 h THR 261 N 0.00 1.34 -0.29 0.00 2.02 -1.19 -2.52 112.91 112.26 1ss8 h THR 261 Ca 0.26 -1.36 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1ss8 h THR 261 Cb 1.08 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.66 1ss8 h THR 261 CO -0.00 0.34 -0.03 -0.07 0.37 0.00 0.00 175.52 176.12 1ss8 h LEU 262 N -0.67 -0.19 -0.71 2.58 3.38 -0.78 0.12 115.31 119.05 1ss8 h LEU 262 Ca -0.01 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.19 1ss8 h LEU 262 Cb 0.59 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1ss8 h LEU 262 CO 0.01 -0.06 -0.06 0.58 0.09 0.00 0.00 178.44 179.00 1ss8 h VAL 263 N 0.05 0.35 0.00 1.22 2.07 -1.30 -0.48 116.25 118.16 1ss8 h VAL 263 Ca 0.14 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.50 1ss8 h VAL 263 Cb 0.20 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ss8 h VAL 263 CO -0.27 0.01 -0.67 0.58 0.02 0.00 0.00 177.57 177.25 1ss8 h VAL 264 N 0.07 1.28 0.00 2.57 2.07 -0.96 -2.87 116.25 118.41 1ss8 h VAL 264 Ca 0.37 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1ss8 h VAL 264 Cb 0.61 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1ss8 h VAL 264 CO -0.66 0.66 -0.55 0.59 0.02 0.00 0.00 177.57 177.62 1ss8 n ASN 265 N -3.45 0.70 0.02 0.57 5.03 0.35 -2.41 115.26 116.07 1ss8 n ASN 265 Ca 0.00 0.16 0.04 0.00 0.87 0.00 0.00 54.58 55.65 1ss8 n ASN 265 Cb 0.74 0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 39.46 1ss8 n ASN 265 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1ss8 n THR 266 N -2.11 0.76 -0.29 3.41 -2.24 -0.33 -2.29 114.28 111.20 1ss8 n THR 266 Ca 0.04 -0.63 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 1ss8 n THR 266 Cb 0.43 -0.41 0.07 0.00 -2.10 0.00 0.00 70.33 68.33 1ss8 n THR 266 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1ss8 h MET 267 N 0.00 1.07 -0.01 -0.78 -1.53 -1.42 -2.19 114.93 110.06 1ss8 h MET 267 Ca -0.14 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 1ss8 h MET 267 Cb 1.39 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 32.20 1ss8 h MET 267 CO 0.02 0.72 0.00 0.54 0.14 0.00 0.00 176.91 178.34 1ss8 n ARG 268 N -4.50 1.27 -1.23 0.39 1.74 -1.01 -4.91 116.66 108.40 1ss8 n ARG 268 Ca 0.08 -0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 56.69 1ss8 n ARG 268 Cb 0.03 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1ss8 n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ss8 n GLY 269 N 1.06 0.96 0.14 -0.13 0.00 -0.83 -4.94 105.19 101.46 1ss8 n GLY 269 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1ss8 n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ss8 h ILE 270 N 0.00 1.22 -3.16 -0.61 2.04 -1.70 -3.45 117.51 111.85 1ss8 h ILE 270 Ca -0.16 -0.72 -0.17 0.00 1.00 0.00 0.00 64.86 64.80 1ss8 h ILE 270 Cb 0.63 1.24 -0.26 0.00 -0.74 0.00 0.00 36.82 37.69 1ss8 h ILE 270 CO 0.24 0.23 -0.45 -0.69 0.00 0.00 0.00 178.15 177.48 1ss8 s VAL 271 N -5.24 -0.00 -0.61 1.67 1.01 -1.04 -5.00 120.40 111.20 1ss8 s VAL 271 Ca -0.14 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1ss8 s VAL 271 Cb 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1ss8 s VAL 271 CO 0.73 0.01 1.07 -0.54 0.00 0.00 0.00 175.10 176.37 1ss8 s LYS 272 N 0.22 3.33 0.18 2.72 3.01 -1.26 -3.69 119.74 124.25 1ss8 s LYS 272 Ca -0.01 -0.19 0.11 0.00 -1.01 0.00 0.00 55.97 54.87 1ss8 s LYS 272 Cb -0.02 -4.09 -0.04 0.00 -1.01 0.00 0.00 37.83 32.67 1ss8 s LYS 272 CO -0.00 -1.70 -0.24 0.08 0.51 0.00 0.00 175.35 174.00 1ss8 s VAL 273 N 4.55 2.37 0.00 3.17 1.01 -1.26 -0.87 120.40 129.37 1ss8 s VAL 273 Ca 0.34 -1.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.28 1ss8 s VAL 273 Cb -0.11 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1ss8 s VAL 273 CO 0.19 -0.07 0.14 0.00 0.00 0.00 0.00 175.10 175.36 1ss8 s ALA 274 N -1.54 -0.34 -0.02 5.51 0.00 -0.59 -4.87 121.76 119.90 1ss8 s ALA 274 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1ss8 s ALA 274 Cb -0.08 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1ss8 s ALA 274 CO 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 175.76 175.58 1ss8 s ALA 275 N -1.37 0.65 0.05 0.00 0.00 -1.26 0.00 121.76 119.82 1ss8 s ALA 275 Ca -0.15 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1ss8 s ALA 275 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1ss8 s ALA 275 CO 0.02 0.08 -0.09 0.14 0.00 0.00 0.00 175.76 175.91 1ss8 s VAL 276 N 0.36 0.63 0.37 0.00 -7.23 0.09 -1.04 120.40 113.59 1ss8 s VAL 276 Ca -0.05 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 1ss8 s VAL 276 Cb -0.09 -0.68 -0.11 0.00 0.56 0.00 0.00 36.38 36.07 1ss8 s VAL 276 CO 0.00 -0.34 1.48 -0.54 -0.31 0.00 0.00 175.10 175.40 1ss8 s LYS 277 N -1.55 4.13 0.71 4.82 1.02 -1.26 -2.76 119.74 124.85 1ss8 s LYS 277 Ca -0.08 2.55 -0.16 0.00 0.02 0.00 0.00 55.97 58.30 1ss8 s LYS 277 Cb -0.10 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1ss8 s LYS 277 CO 0.01 -0.52 1.24 0.00 -0.92 0.00 0.00 175.35 175.16 1ss8 s ALA 278 N -1.02 2.15 0.43 5.17 0.00 0.96 -4.79 121.76 124.66 1ss8 s ALA 278 Ca 0.53 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 1ss8 s ALA 278 Cb -0.46 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 1ss8 s ALA 278 CO 0.61 -1.86 0.92 -1.25 0.00 0.00 0.00 175.76 174.18 1ss8 s PRO 279 N -3.75 4.14 1.14 0.00 0.04 -1.26 -4.92 135.00 130.38 1ss8 s PRO 279 Ca 0.77 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1ss8 s PRO 279 Cb -0.32 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1ss8 s PRO 279 CO 0.44 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1ss8 n GLY 280 N -0.76 -1.74 3.27 0.56 0.00 -1.26 -4.39 105.19 100.86 1ss8 n GLY 280 Ca 0.06 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1ss8 n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ss8 s PHE 281 N -0.29 1.39 0.00 1.61 -0.71 -1.26 -4.77 117.98 113.95 1ss8 s PHE 281 Ca 0.00 -1.31 0.00 0.00 -1.04 0.00 0.00 56.93 54.58 1ss8 s PHE 281 Cb 0.00 -0.74 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 1ss8 s PHE 281 CO 0.00 -0.52 0.00 0.41 -1.34 0.00 0.00 175.22 173.77 1ss8 n GLY 282 N -0.40 3.49 0.07 1.99 0.00 -1.26 -2.73 105.19 106.35 1ss8 n GLY 282 Ca 0.01 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1ss8 n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ss8 h ASP 283 N 0.00 0.03 0.00 1.61 3.32 -2.01 -3.15 116.42 116.23 1ss8 h ASP 283 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1ss8 h ASP 283 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ss8 h ASP 283 CO 0.00 0.95 0.50 0.08 -1.72 0.00 0.00 179.24 179.05 1ss8 h ARG 284 N -0.88 0.00 0.06 3.56 0.11 -1.96 -2.31 114.38 112.95 1ss8 h ARG 284 Ca -0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1ss8 h ARG 284 Cb 0.97 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.06 1ss8 h ARG 284 CO 0.01 0.00 -0.34 -0.09 0.10 0.00 0.00 179.97 179.65 1ss8 h ARG 285 N 0.00 0.13 -0.57 0.08 2.43 -1.47 -2.65 114.38 112.33 1ss8 h ARG 285 Ca 0.00 -0.22 0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1ss8 h ARG 285 Cb 0.99 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1ss8 h ARG 285 CO 0.00 1.09 0.28 0.87 -1.51 0.00 0.00 179.97 180.70 1ss8 h LYS 286 N -0.71 0.50 -0.22 0.20 1.57 -1.44 -1.05 116.57 115.43 1ss8 h LYS 286 Ca -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ss8 h LYS 286 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1ss8 h LYS 286 CO 0.06 0.33 0.09 0.00 -0.57 0.00 0.00 179.45 179.37 1ss8 h ALA 287 N 1.33 0.28 -0.32 3.86 0.00 -1.56 -2.91 119.26 119.95 1ss8 h ALA 287 Ca 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ss8 h ALA 287 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ss8 h ALA 287 CO -0.21 -0.14 -0.15 0.52 0.00 0.00 0.00 179.25 179.28 1ss8 h MET 288 N 0.21 0.56 -0.96 0.00 2.86 -1.14 -1.00 114.93 115.46 1ss8 h MET 288 Ca 0.07 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1ss8 h MET 288 Cb 0.16 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 1ss8 h MET 288 CO -0.01 0.69 0.61 -0.07 1.06 0.00 0.00 176.91 179.20 1ss8 h LEU 289 N 0.51 0.95 -1.01 1.22 3.38 -1.13 -0.70 115.31 118.52 1ss8 h LEU 289 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1ss8 h LEU 289 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ss8 h LEU 289 CO 0.04 0.59 -0.17 -0.61 0.09 0.00 0.00 178.44 178.37 1ss8 h GLN 290 N 1.07 0.51 0.23 1.13 5.75 -1.02 0.78 115.11 123.57 1ss8 h GLN 290 Ca 0.43 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1ss8 h GLN 290 Cb 0.24 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1ss8 h GLN 290 CO -0.20 0.67 -0.11 -0.44 -2.65 0.00 0.00 178.83 176.10 1ss8 h ASP 291 N 0.47 -0.26 -0.78 -0.69 3.32 -0.16 -0.63 116.42 117.69 1ss8 h ASP 291 Ca 0.08 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ss8 h ASP 291 Cb 0.56 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1ss8 h ASP 291 CO 0.04 -0.17 0.50 0.40 -1.72 0.00 0.00 179.24 178.29 1ss8 h ILE 292 N -0.33 1.14 0.02 0.35 2.04 -1.00 -1.30 117.51 118.44 1ss8 h ILE 292 Ca -0.03 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1ss8 h ILE 292 Cb 0.25 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1ss8 h ILE 292 CO 0.05 0.18 -0.33 0.00 0.00 0.00 0.00 178.15 178.06 1ss8 h ALA 293 N 1.32 -0.49 -0.73 1.87 0.00 -0.46 -1.20 119.26 119.56 1ss8 h ALA 293 Ca 0.31 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1ss8 h ALA 293 Cb -0.03 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1ss8 h ALA 293 CO -0.10 -0.85 0.38 1.15 0.00 0.00 0.00 179.25 179.83 1ss8 h THR 294 N -0.49 0.87 -0.86 0.00 2.02 -0.73 0.21 112.91 113.92 1ss8 h THR 294 Ca 0.05 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1ss8 h THR 294 Cb 0.57 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1ss8 h THR 294 CO -0.26 0.12 0.56 0.25 0.37 0.00 0.00 175.52 176.57 1ss8 h LEU 295 N 0.65 0.87 -1.50 2.58 6.46 -0.69 -3.14 115.31 120.54 1ss8 h LEU 295 Ca 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1ss8 h LEU 295 Cb 0.35 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1ss8 h LEU 295 CO -0.26 0.57 -0.00 0.35 -0.62 0.00 0.00 178.44 178.48 1ss8 n THR 296 N -4.48 0.00 -3.14 1.05 -2.24 -0.51 -1.61 114.28 103.36 1ss8 n THR 296 Ca 0.13 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 1ss8 n THR 296 Cb 0.18 1.27 0.06 0.00 -2.10 0.00 0.00 70.33 69.74 1ss8 n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ss8 n GLY 297 N 0.74 -0.09 3.75 3.38 0.00 0.26 -0.62 105.19 112.61 1ss8 n GLY 297 Ca 0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1ss8 n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ss8 s GLY 298 N -3.54 2.47 -0.06 -0.02 0.00 0.48 -4.24 107.32 102.40 1ss8 s GLY 298 Ca 0.22 -1.77 0.05 0.00 0.00 0.00 0.00 44.72 43.22 1ss8 s GLY 298 CO 0.50 -1.98 -0.21 -1.59 0.00 0.00 0.00 173.10 169.82 1ss8 s THR 299 N -2.68 2.44 0.01 0.90 2.01 0.59 -4.42 115.64 114.49 1ss8 s THR 299 Ca 0.34 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1ss8 s THR 299 Cb 0.03 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1ss8 s THR 299 CO 0.19 0.57 1.10 -0.69 -0.69 0.00 0.00 174.62 175.10 1ss8 s VAL 300 N -0.25 4.43 -0.60 3.82 1.01 -1.26 -4.56 120.40 122.98 1ss8 s VAL 300 Ca -0.00 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 1ss8 s VAL 300 Cb -0.13 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.27 1ss8 s VAL 300 CO 0.03 0.11 0.58 -0.63 0.00 0.00 0.00 175.10 175.19 1ss8 s ILE 301 N 1.25 5.20 -0.10 2.22 1.01 -0.92 -4.97 121.20 124.89 1ss8 s ILE 301 Ca 0.55 -1.56 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1ss8 s ILE 301 Cb -0.25 -4.39 -0.01 0.00 0.01 0.00 0.00 42.46 37.82 1ss8 s ILE 301 CO 0.27 -0.95 -0.16 -0.94 0.00 0.00 0.00 174.94 173.16 1ss8 s SER 302 N 3.39 3.75 0.00 3.58 1.04 -1.26 -1.37 113.70 122.83 1ss8 s SER 302 Ca 0.07 -0.37 0.21 0.00 0.48 0.00 0.00 55.95 56.35 1ss8 s SER 302 Cb -0.26 -1.37 0.97 0.00 0.10 0.00 0.00 66.02 65.46 1ss8 s SER 302 CO 0.02 0.20 1.69 -0.62 0.98 0.00 0.00 173.24 175.50 1ss8 n GLU 303 N 3.27 0.10 0.17 4.02 1.02 -1.26 -2.67 120.64 125.29 1ss8 n GLU 303 Ca -0.18 0.12 0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1ss8 n GLU 303 Cb 0.53 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.75 1ss8 n GLU 303 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ss8 h GLU 304 N 0.00 0.02 -0.10 3.49 5.08 -1.90 -1.49 114.58 119.67 1ss8 h GLU 304 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ss8 h GLU 304 Cb 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ss8 h GLU 304 CO 0.00 0.44 0.00 -0.89 -1.00 0.00 0.00 179.01 177.56 1ss8 n ILE 305 N -4.02 0.13 -1.37 3.13 5.41 -1.09 -4.95 119.36 116.59 1ss8 n ILE 305 Ca -0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 62.75 63.46 1ss8 n ILE 305 Cb 0.46 0.13 -0.02 0.00 -0.71 0.00 0.00 39.64 39.50 1ss8 n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ss8 n GLY 306 N 1.01 0.65 3.83 7.39 0.00 -0.56 -5.04 105.19 112.47 1ss8 n GLY 306 Ca 0.15 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1ss8 n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ss8 s MET 307 N -2.87 4.07 0.17 1.61 -1.94 -1.19 -5.00 119.30 114.16 1ss8 s MET 307 Ca 0.00 0.60 0.08 0.00 -1.71 0.00 0.00 55.69 54.67 1ss8 s MET 307 Cb 0.00 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.82 1ss8 s MET 307 CO 0.00 0.50 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.24 1ss8 s GLU 308 N -1.79 2.21 0.50 2.03 2.02 -1.26 -4.15 118.70 118.26 1ss8 s GLU 308 Ca 0.37 -1.18 0.28 0.00 0.02 0.00 0.00 54.97 54.46 1ss8 s GLU 308 Cb -0.16 -2.26 1.26 0.00 0.10 0.00 0.00 34.13 33.07 1ss8 s GLU 308 CO 0.19 0.45 1.96 -0.07 0.02 0.00 0.00 175.26 177.82 1ss8 h LEU 309 N 2.87 0.00 -0.29 1.80 3.38 -1.96 -3.12 115.31 118.00 1ss8 h LEU 309 Ca -0.47 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1ss8 h LEU 309 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ss8 h LEU 309 CO 0.56 0.14 -0.29 -0.33 0.09 0.00 0.00 178.44 178.60 1ss8 h GLU 310 N 0.00 0.71 -1.87 1.13 3.07 -1.93 -3.17 114.58 112.52 1ss8 h GLU 310 Ca -0.00 -0.37 -0.36 0.00 -0.50 0.00 0.00 59.36 58.12 1ss8 h GLU 310 Cb 0.53 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.32 1ss8 h GLU 310 CO 0.02 0.99 0.23 1.63 -1.40 0.00 0.00 179.01 180.48 1ss8 n LYS 311 N -4.26 2.07 -3.99 2.33 5.02 -1.18 -4.79 118.16 113.37 1ss8 n LYS 311 Ca -0.04 -1.74 -0.28 0.00 -2.02 0.00 0.00 58.31 54.24 1ss8 n LYS 311 Cb 0.47 -1.90 -0.17 0.00 -0.02 0.00 0.00 35.03 33.42 1ss8 n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ss8 s ALA 312 N -1.15 1.47 0.35 7.82 0.00 -1.20 -4.85 121.76 124.20 1ss8 s ALA 312 Ca 0.49 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1ss8 s ALA 312 Cb 0.31 -0.92 0.06 0.00 0.00 0.00 0.00 23.12 22.56 1ss8 s ALA 312 CO -0.11 -0.37 0.47 0.25 0.00 0.00 0.00 175.76 176.01 1ss8 n THR 313 N 4.81 0.00 0.00 0.00 -2.24 -1.26 -4.35 114.28 111.25 1ss8 n THR 313 Ca -0.14 -1.20 0.01 0.00 -2.27 0.00 0.00 64.05 60.44 1ss8 n THR 313 Cb 0.50 -0.66 0.32 0.00 -2.10 0.00 0.00 70.33 68.39 1ss8 n THR 313 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ss8 h LEU 314 N 0.00 0.47 -1.42 3.22 3.38 -1.94 -2.82 115.31 116.21 1ss8 h LEU 314 Ca -0.17 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 57.94 1ss8 h LEU 314 Cb 0.77 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 1ss8 h LEU 314 CO 0.25 0.51 0.62 -0.08 0.09 0.00 0.00 178.44 179.83 1ss8 h GLU 315 N 0.50 0.44 0.00 1.13 4.81 -2.00 -1.08 114.58 118.39 1ss8 h GLU 315 Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ss8 h GLU 315 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ss8 h GLU 315 CO 0.00 0.29 0.00 -0.44 -0.73 0.00 0.00 179.01 178.13 1ss8 h ASP 316 N 0.45 0.00 -3.37 1.04 3.32 -1.87 -3.45 116.42 112.55 1ss8 h ASP 316 Ca 0.51 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 57.00 1ss8 h ASP 316 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1ss8 h ASP 316 CO -0.23 0.00 0.07 -0.76 -1.72 0.00 0.00 179.24 176.61 1ss8 s LEU 317 N -6.11 4.42 0.80 1.55 1.02 -0.41 -0.30 118.68 119.65 1ss8 s LEU 317 Ca 0.02 1.29 -0.12 0.00 0.02 0.00 0.00 54.13 55.34 1ss8 s LEU 317 Cb 0.08 -3.07 0.07 0.00 0.02 0.00 0.00 46.19 43.29 1ss8 s LEU 317 CO 0.56 0.05 1.13 -0.83 0.02 0.00 0.00 176.35 177.28 1ss8 s GLY 318 N -0.05 1.60 0.04 -3.19 0.00 -0.63 -4.58 107.32 100.51 1ss8 s GLY 318 Ca 0.35 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 1ss8 s GLY 318 CO 0.20 -0.00 0.07 1.62 0.00 0.00 0.00 173.10 174.98 1ss8 s GLN 319 N -5.38 0.55 0.06 2.90 0.74 0.21 0.38 119.66 119.12 1ss8 s GLN 319 Ca 0.61 -0.77 -0.20 0.00 0.05 0.00 0.00 55.36 55.05 1ss8 s GLN 319 Cb -0.12 0.21 0.04 0.00 1.10 0.00 0.00 33.01 34.24 1ss8 s GLN 319 CO 0.52 -0.13 0.46 0.00 -0.55 0.00 0.00 175.29 175.58 1ss8 s ALA 320 N -2.55 -1.13 0.12 1.58 0.00 -1.17 -1.31 121.76 117.30 1ss8 s ALA 320 Ca -0.06 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.46 1ss8 s ALA 320 Cb -0.02 0.41 0.57 0.00 0.00 0.00 0.00 23.12 24.09 1ss8 s ALA 320 CO -0.04 -0.50 1.68 0.87 0.00 0.00 0.00 175.76 177.76 1ss8 h LYS 321 N 2.83 0.00 -1.88 0.00 1.57 -0.96 -3.07 116.57 115.05 1ss8 h LYS 321 Ca -0.31 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1ss8 h LYS 321 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.30 1ss8 h LYS 321 CO 0.43 0.41 0.19 0.50 -0.57 0.00 0.00 179.45 180.41 1ss8 s ARG 322 N -3.50 0.71 0.05 3.15 3.52 -0.97 -1.82 118.95 120.08 1ss8 s ARG 322 Ca 0.01 0.94 0.06 0.00 -0.13 0.00 0.00 55.73 56.60 1ss8 s ARG 322 Cb 0.10 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 1ss8 s ARG 322 CO 0.70 -0.10 -0.16 0.14 -0.81 0.00 0.00 175.30 175.06 1ss8 s VAL 323 N 0.69 1.29 -0.09 7.11 -7.23 -0.73 -0.78 120.40 120.66 1ss8 s VAL 323 Ca -0.02 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1ss8 s VAL 323 Cb -0.05 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.75 1ss8 s VAL 323 CO -0.06 0.01 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.99 1ss8 s VAL 324 N -0.92 0.87 -0.00 1.32 1.01 -0.40 -1.49 120.40 120.79 1ss8 s VAL 324 Ca 0.03 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1ss8 s VAL 324 Cb -0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1ss8 s VAL 324 CO 0.02 0.33 -0.24 0.27 0.00 0.00 0.00 175.10 175.48 1ss8 s ILE 325 N 1.59 2.24 0.51 2.22 -0.00 0.68 -1.11 121.20 127.33 1ss8 s ILE 325 Ca 0.02 -1.15 0.07 0.00 -0.00 0.00 0.00 60.65 59.58 1ss8 s ILE 325 Cb -0.13 -1.82 0.07 0.00 -0.00 0.00 0.00 42.46 40.58 1ss8 s ILE 325 CO -0.06 0.50 0.58 0.59 -0.00 0.00 0.00 174.94 176.56 1ss8 n ASN 326 N 2.18 2.20 -0.29 4.36 3.02 0.14 -1.07 115.26 125.80 1ss8 n ASN 326 Ca -0.16 -2.53 0.07 0.00 -0.03 0.00 0.00 54.58 51.93 1ss8 n ASN 326 Cb 0.51 -0.24 0.29 0.00 -0.61 0.00 0.00 39.78 39.73 1ss8 n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ss8 h LYS 327 N 0.00 0.88 -0.06 3.52 3.64 -1.94 -0.82 116.57 121.79 1ss8 h LYS 327 Ca -0.27 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 58.87 1ss8 h LYS 327 Cb 1.14 -0.20 -0.39 0.00 -0.41 0.00 0.00 32.23 32.38 1ss8 h LYS 327 CO 0.41 0.58 -1.03 -0.40 -2.27 0.00 0.00 179.45 176.74 1ss8 n ASP 328 N -4.52 1.03 -3.76 4.20 5.68 -1.26 -3.96 116.55 113.96 1ss8 n ASP 328 Ca 0.15 -2.00 -0.13 0.00 -0.50 0.00 0.00 54.79 52.30 1ss8 n ASP 328 Cb 0.29 -0.31 -0.10 0.00 -1.14 0.00 0.00 41.12 39.86 1ss8 n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ss8 s THR 329 N -0.53 0.02 -0.08 2.12 2.01 -1.17 -3.43 115.64 114.58 1ss8 s THR 329 Ca 0.32 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1ss8 s THR 329 Cb 0.37 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1ss8 s THR 329 CO -0.15 -0.09 -0.11 -0.89 -0.69 0.00 0.00 174.62 172.69 1ss8 s THR 330 N -0.31 1.13 -0.11 -0.82 2.01 -0.69 0.24 115.64 117.10 1ss8 s THR 330 Ca -0.04 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1ss8 s THR 330 Cb -0.03 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.43 1ss8 s THR 330 CO 0.02 0.36 -0.10 0.28 -0.69 0.00 0.00 174.62 174.49 1ss8 s THR 331 N 0.98 1.13 -0.28 -0.82 -1.32 -0.26 -1.53 115.64 113.54 1ss8 s THR 331 Ca -0.08 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 59.90 1ss8 s THR 331 Cb -0.15 -1.11 -0.05 0.00 -1.51 0.00 0.00 72.50 69.69 1ss8 s THR 331 CO -0.00 0.38 0.18 -0.63 -2.21 0.00 0.00 174.62 172.34 1ss8 s ILE 332 N 1.41 5.27 -0.19 5.08 1.01 -0.04 -1.27 121.20 132.47 1ss8 s ILE 332 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1ss8 s ILE 332 Cb -0.13 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1ss8 s ILE 332 CO -0.06 0.26 -0.16 -0.63 0.00 0.00 0.00 174.94 174.35 1ss8 s ILE 333 N 1.73 2.43 -0.35 2.92 1.01 0.04 -0.99 121.20 127.98 1ss8 s ILE 333 Ca 0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1ss8 s ILE 333 Cb -0.16 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1ss8 s ILE 333 CO 0.10 0.51 0.43 -0.67 0.00 0.00 0.00 174.94 175.31 1ss8 n ASP 334 N 4.64 -6.06 -4.73 3.58 -0.08 -0.04 -2.26 116.55 111.61 1ss8 n ASP 334 Ca -0.20 0.26 -0.40 0.00 -1.51 0.00 0.00 54.79 52.94 1ss8 n ASP 334 Cb 0.50 -4.01 -0.05 0.00 2.34 0.00 0.00 41.12 39.91 1ss8 n ASP 334 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ss8 s GLY 335 N -2.26 2.70 0.57 0.27 0.00 -0.96 -2.08 107.32 105.55 1ss8 s GLY 335 Ca 0.13 0.20 0.27 0.00 0.00 0.00 0.00 44.72 45.32 1ss8 s GLY 335 CO 0.52 1.15 2.03 -2.08 0.00 0.00 0.00 173.10 174.72 1ss8 h VAL 336 N 4.50 0.57 -1.15 1.40 2.07 -1.31 -3.45 116.25 118.87 1ss8 h VAL 336 Ca -0.42 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.52 1ss8 h VAL 336 Cb 1.20 0.77 0.12 0.00 -1.52 0.00 0.00 31.29 31.86 1ss8 h VAL 336 CO 0.73 0.00 -0.64 0.61 0.02 0.00 0.00 177.57 178.30 1ss8 n GLY 337 N -1.51 -1.94 3.79 2.17 0.00 -0.63 -4.79 105.19 102.27 1ss8 n GLY 337 Ca 0.05 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1ss8 n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ss8 s GLU 338 N -0.89 4.49 0.25 1.61 2.02 -1.26 -4.89 118.70 120.03 1ss8 s GLU 338 Ca 0.55 1.24 -0.04 0.00 0.02 0.00 0.00 54.97 56.74 1ss8 s GLU 338 Cb -0.71 -2.71 0.42 0.00 0.10 0.00 0.00 34.13 31.23 1ss8 s GLU 338 CO 0.52 0.25 1.79 0.93 0.02 0.00 0.00 175.26 178.77 1ss8 h GLU 339 N 3.00 0.67 -0.11 1.61 4.39 -1.96 -0.78 114.58 121.41 1ss8 h GLU 339 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ss8 h GLU 339 Cb 1.19 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1ss8 h GLU 339 CO 0.64 0.44 0.07 0.00 -1.16 0.00 0.00 179.01 179.01 1ss8 h ALA 340 N 1.48 0.14 -0.72 3.43 0.00 -1.99 0.19 119.26 121.78 1ss8 h ALA 340 Ca 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ss8 h ALA 340 Cb 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1ss8 h ALA 340 CO -0.29 -0.37 0.47 0.00 0.00 0.00 0.00 179.25 179.07 1ss8 h ALA 341 N 1.02 0.92 -0.33 0.00 0.00 -1.82 -1.22 119.26 117.82 1ss8 h ALA 341 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ss8 h ALA 341 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ss8 h ALA 341 CO -0.01 0.34 -0.06 0.82 0.00 0.00 0.00 179.25 180.35 1ss8 h ILE 342 N 0.98 1.27 -0.82 0.00 2.04 -1.12 -2.31 117.51 117.55 1ss8 h ILE 342 Ca 0.26 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1ss8 h ILE 342 Cb -0.10 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1ss8 h ILE 342 CO -0.06 0.35 0.43 1.56 0.00 0.00 0.00 178.15 180.43 1ss8 h GLN 343 N 0.42 1.16 -0.83 2.37 1.08 -0.73 -2.14 115.11 116.44 1ss8 h GLN 343 Ca 0.09 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1ss8 h GLN 343 Cb 0.54 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1ss8 h GLN 343 CO 0.03 0.87 0.44 0.78 -0.95 0.00 0.00 178.83 180.00 1ss8 h GLY 344 N 1.15 1.25 1.45 3.46 0.00 -1.15 -1.17 103.07 108.05 1ss8 h GLY 344 Ca 0.29 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1ss8 h GLY 344 CO -0.04 0.56 0.01 -0.09 0.00 0.00 0.00 176.54 176.98 1ss8 h ARG 345 N 1.16 0.68 0.07 4.80 9.65 -1.19 -1.10 114.38 128.46 1ss8 h ARG 345 Ca 0.29 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1ss8 h ARG 345 Cb 0.06 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1ss8 h ARG 345 CO -0.04 0.69 -0.03 0.28 2.80 0.00 0.00 179.97 183.66 1ss8 h VAL 346 N 0.65 1.19 -0.87 0.20 2.07 -0.98 -1.81 116.25 116.69 1ss8 h VAL 346 Ca 0.13 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.76 1ss8 h VAL 346 Cb 0.39 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1ss8 h VAL 346 CO 0.01 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.41 1ss8 h ALA 347 N 0.31 1.73 0.06 1.67 0.00 -1.17 0.91 119.26 122.77 1ss8 h ALA 347 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ss8 h ALA 347 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ss8 h ALA 347 CO 0.02 0.07 -0.07 1.96 0.00 0.00 0.00 179.25 181.22 1ss8 h GLN 348 N 0.78 -0.15 -0.39 0.00 4.20 -1.01 -2.60 115.11 115.94 1ss8 h GLN 348 Ca 0.42 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 59.05 1ss8 h GLN 348 Cb 0.53 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1ss8 h GLN 348 CO -0.18 -0.10 -0.09 0.82 -0.67 0.00 0.00 178.83 178.60 1ss8 h ILE 349 N -0.16 1.28 0.00 2.54 2.04 -0.80 -2.35 117.51 120.05 1ss8 h ILE 349 Ca 0.01 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1ss8 h ILE 349 Cb 0.16 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ss8 h ILE 349 CO -0.03 0.39 0.08 -0.09 0.00 0.00 0.00 178.15 178.50 1ss8 h ARG 350 N 0.55 0.00 0.08 2.37 2.43 -0.80 -0.19 114.38 118.82 1ss8 h ARG 350 Ca 0.10 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.94 1ss8 h ARG 350 Cb 0.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1ss8 h ARG 350 CO 0.04 0.00 -1.77 1.96 -1.51 0.00 0.00 179.97 178.69 1ss8 h GLN 351 N 0.00 0.18 -0.21 0.20 1.08 -1.08 -3.20 115.11 112.08 1ss8 h GLN 351 Ca 0.00 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 56.84 1ss8 h GLN 351 Cb 0.16 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1ss8 h GLN 351 CO 0.00 0.95 -0.13 1.96 -0.95 0.00 0.00 178.83 180.67 1ss8 h GLN 352 N 0.05 0.33 -0.46 1.46 4.20 -0.58 -1.67 115.11 118.45 1ss8 h GLN 352 Ca -0.33 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.37 1ss8 h GLN 352 Cb 2.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.73 1ss8 h GLN 352 CO 0.11 0.47 0.31 0.82 -0.67 0.00 0.00 178.83 179.87 1ss8 h ILE 353 N 0.31 0.94 0.00 2.54 2.04 -1.26 0.45 117.51 122.54 1ss8 h ILE 353 Ca 0.06 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1ss8 h ILE 353 Cb 0.42 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1ss8 h ILE 353 CO 0.02 0.06 -0.32 -0.33 0.00 0.00 0.00 178.15 177.59 1ss8 h GLU 354 N 0.34 0.00 -0.03 2.37 4.39 -1.29 -3.32 114.58 117.04 1ss8 h GLU 354 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1ss8 h GLU 354 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ss8 h GLU 354 CO -0.05 0.32 0.00 0.39 -1.16 0.00 0.00 179.01 178.51 1ss8 n GLU 355 N -3.92 0.18 -1.67 2.33 1.02 -0.67 -5.00 120.64 112.92 1ss8 n GLU 355 Ca -0.02 -0.93 -0.47 0.00 -0.02 0.00 0.00 57.16 55.72 1ss8 n GLU 355 Cb 0.38 -1.09 -0.04 0.00 -0.02 0.00 0.00 31.44 30.67 1ss8 n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ss8 n ALA 356 N 0.21 1.16 -0.57 0.62 0.00 0.06 -4.88 120.51 117.11 1ss8 n ALA 356 Ca 0.03 0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.97 1ss8 n ALA 356 Cb 0.15 -2.37 0.28 0.00 0.00 0.00 0.00 19.45 17.51 1ss8 n ALA 356 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ss8 n THR 357 N 3.71 1.66 -3.84 0.00 -2.24 -1.26 -4.95 114.28 107.36 1ss8 n THR 357 Ca 0.18 -1.28 -0.12 0.00 -2.27 0.00 0.00 64.05 60.56 1ss8 n THR 357 Cb 0.28 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 1ss8 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ss8 s SER 358 N -1.16 -0.10 0.18 3.42 0.15 -1.26 -5.06 113.70 109.86 1ss8 s SER 358 Ca 0.41 0.18 -0.22 0.00 0.70 0.00 0.00 55.95 57.02 1ss8 s SER 358 Cb 0.27 0.26 0.10 0.00 -1.71 0.00 0.00 66.02 64.93 1ss8 s SER 358 CO 0.19 -0.10 1.59 0.44 1.20 0.00 0.00 173.24 176.56 1ss8 h ASP 359 N 5.67 -1.16 -0.36 5.45 3.32 -2.00 -2.45 116.42 124.89 1ss8 h ASP 359 Ca -0.26 0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ss8 h ASP 359 Cb 1.20 0.56 -0.04 0.00 0.22 0.00 0.00 39.33 41.27 1ss8 h ASP 359 CO 0.42 -0.31 0.11 0.22 -1.72 0.00 0.00 179.24 177.96 1ss8 h TYR 360 N -0.20 0.19 -0.77 4.55 3.20 -2.00 -1.51 116.97 120.43 1ss8 h TYR 360 Ca 0.21 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1ss8 h TYR 360 Cb 0.55 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1ss8 h TYR 360 CO -0.61 0.07 0.49 -0.44 -1.64 0.00 0.00 178.16 176.02 1ss8 h ASP 361 N 0.25 0.80 0.42 -2.11 5.19 -1.93 -2.21 116.42 116.83 1ss8 h ASP 361 Ca 0.17 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1ss8 h ASP 361 Cb 0.16 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1ss8 h ASP 361 CO -0.19 0.55 -0.43 -0.09 -3.12 0.00 0.00 179.24 175.97 1ss8 h ARG 362 N 0.95 -0.84 -0.78 3.56 2.43 -0.97 -2.16 114.38 116.57 1ss8 h ARG 362 Ca 0.31 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.63 1ss8 h ARG 362 Cb 0.02 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1ss8 h ARG 362 CO -0.12 -0.56 0.43 0.93 -1.51 0.00 0.00 179.97 179.15 1ss8 h GLU 363 N -0.87 0.72 -0.36 0.20 5.08 -1.08 -0.50 114.58 117.77 1ss8 h GLU 363 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ss8 h GLU 363 Cb 0.77 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1ss8 h GLU 363 CO -0.07 0.47 0.05 0.87 -1.00 0.00 0.00 179.01 179.34 1ss8 h LYS 364 N 0.74 0.53 0.01 2.33 1.79 -1.30 -1.20 116.57 119.47 1ss8 h LYS 364 Ca 0.37 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.71 1ss8 h LYS 364 Cb 0.34 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1ss8 h LYS 364 CO -0.24 0.52 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.42 1ss8 h LEU 365 N 0.52 0.13 -1.52 2.94 3.38 -0.84 -3.03 115.31 116.88 1ss8 h LEU 365 Ca 0.12 -0.83 0.22 0.00 0.09 0.00 0.00 57.88 57.48 1ss8 h LEU 365 Cb 0.26 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1ss8 h LEU 365 CO 0.00 0.94 0.62 1.56 0.09 0.00 0.00 178.44 181.65 1ss8 h GLN 366 N -0.67 0.37 -0.25 1.13 4.20 -0.92 -0.49 115.11 118.49 1ss8 h GLN 366 Ca -0.02 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1ss8 h GLN 366 Cb 0.98 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1ss8 h GLN 366 CO 0.03 0.24 -0.44 0.93 -0.67 0.00 0.00 178.83 178.93 1ss8 h GLU 367 N 0.38 0.61 -0.27 1.46 5.08 -1.27 -1.72 114.58 118.84 1ss8 h GLU 367 Ca 0.49 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1ss8 h GLU 367 Cb 1.27 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ss8 h GLU 367 CO -0.18 0.93 -0.40 0.00 -1.00 0.00 0.00 179.01 178.36 1ss8 h ARG 368 N 0.50 0.74 -0.62 2.33 3.08 -1.00 -2.92 114.38 116.49 1ss8 h ARG 368 Ca 0.04 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1ss8 h ARG 368 Cb 0.96 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1ss8 h ARG 368 CO 0.09 1.07 0.28 -0.39 -1.07 0.00 0.00 179.97 179.95 1ss8 h VAL 369 N 0.48 1.22 -0.80 2.04 -1.51 -1.31 -1.94 116.25 114.43 1ss8 h VAL 369 Ca 0.03 -0.64 0.14 0.00 -1.23 0.00 0.00 66.70 64.99 1ss8 h VAL 369 Cb 0.99 0.50 -0.09 0.00 -2.13 0.00 0.00 31.29 30.56 1ss8 h VAL 369 CO 0.09 0.26 0.37 0.00 -1.23 0.00 0.00 177.57 177.06 1ss8 h ALA 370 N 1.12 1.16 0.32 5.19 0.00 -1.31 0.36 119.26 126.11 1ss8 h ALA 370 Ca 0.21 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1ss8 h ALA 370 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ss8 h ALA 370 CO -0.02 -0.14 -0.16 0.87 0.00 0.00 0.00 179.25 179.80 1ss8 h LYS 371 N 0.54 -0.42 -0.13 0.00 1.57 -1.29 -0.46 116.57 116.38 1ss8 h LYS 371 Ca 0.43 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1ss8 h LYS 371 Cb 0.62 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1ss8 h LYS 371 CO -0.37 -0.11 0.08 1.25 -0.57 0.00 0.00 179.45 179.72 1ss8 h LEU 372 N -0.97 0.16 -0.28 2.94 5.85 -1.15 -3.04 115.31 118.82 1ss8 h LEU 372 Ca -0.04 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ss8 h LEU 372 Cb 0.50 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ss8 h LEU 372 CO 0.07 0.17 -0.05 0.00 -0.34 0.00 0.00 178.44 178.30 1ss8 n ALA 373 N -2.16 2.69 0.07 1.25 0.00 0.12 -4.14 120.51 118.34 1ss8 n ALA 373 Ca -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.09 1ss8 n ALA 373 Cb 0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1ss8 n ALA 373 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ss8 h GLY 374 N 4.96 0.00 0.00 0.00 0.00 -0.94 -3.49 103.07 103.59 1ss8 h GLY 374 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ss8 h GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ss8 n GLY 375 N 1.35 0.23 2.88 4.60 0.00 -1.25 -4.89 105.19 108.10 1ss8 n GLY 375 Ca -0.03 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1ss8 n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ss8 s VAL 376 N 0.00 0.40 -0.08 1.61 1.01 -0.58 -4.44 120.40 118.33 1ss8 s VAL 376 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 1ss8 s VAL 376 Cb 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1ss8 s VAL 376 CO 0.00 0.19 0.84 0.00 0.00 0.00 0.00 175.10 176.13 1ss8 s ALA 377 N 0.82 3.34 -0.33 5.51 0.00 -0.30 -1.53 121.76 129.27 1ss8 s ALA 377 Ca -0.10 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 1ss8 s ALA 377 Cb -0.13 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1ss8 s ALA 377 CO -0.00 -0.32 0.09 0.08 0.00 0.00 0.00 175.76 175.60 1ss8 s VAL 378 N 1.31 3.65 -0.40 0.00 1.01 0.38 -0.29 120.40 126.06 1ss8 s VAL 378 Ca 0.43 -1.18 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1ss8 s VAL 378 Cb -0.18 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1ss8 s VAL 378 CO 0.20 -0.17 1.01 -0.63 0.00 0.00 0.00 175.10 175.50 1ss8 s ILE 379 N 1.38 4.45 -0.30 2.22 1.01 -0.09 -2.22 121.20 127.66 1ss8 s ILE 379 Ca -0.02 1.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.76 1ss8 s ILE 379 Cb -0.20 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 1ss8 s ILE 379 CO 0.02 -0.69 0.18 -0.54 0.00 0.00 0.00 174.94 173.91 1ss8 s LYS 380 N 3.81 3.69 -0.22 2.79 -0.14 0.01 -0.42 119.74 129.25 1ss8 s LYS 380 Ca 0.42 -0.49 -0.22 0.00 -1.36 0.00 0.00 55.97 54.32 1ss8 s LYS 380 Cb -0.10 -3.63 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1ss8 s LYS 380 CO 0.23 -0.29 0.68 0.08 -0.76 0.00 0.00 175.35 175.29 1ss8 s VAL 381 N 1.70 4.96 0.11 3.17 1.01 -1.01 -0.43 120.40 129.92 1ss8 s VAL 381 Ca 0.06 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1ss8 s VAL 381 Cb -0.16 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ss8 s VAL 381 CO 0.09 0.04 0.15 -0.83 0.00 0.00 0.00 175.10 174.56 1ss8 s GLY 382 N 1.31 1.93 0.05 4.51 0.00 -1.23 -1.88 107.32 112.01 1ss8 s GLY 382 Ca 0.30 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1ss8 s GLY 382 CO 0.09 -1.02 0.08 0.00 0.00 0.00 0.00 173.10 172.25 1ss8 n ALA 383 N 0.06 -0.11 0.03 3.20 0.00 -1.15 -4.71 120.51 117.83 1ss8 n ALA 383 Ca -0.07 -0.20 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1ss8 n ALA 383 Cb 0.53 0.16 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 1ss8 n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ss8 h ALA 384 N 1.68 0.40 -2.16 0.00 0.00 -1.87 -3.32 119.26 113.99 1ss8 h ALA 384 Ca -0.04 -1.27 -0.42 0.00 0.00 0.00 0.00 54.91 53.17 1ss8 h ALA 384 Cb 0.16 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 1ss8 h ALA 384 CO 0.05 1.26 -0.68 0.95 0.00 0.00 0.00 179.25 180.83 1ss8 s THR 385 N -2.59 1.37 0.17 0.00 -4.23 -1.26 -5.03 115.64 104.07 1ss8 s THR 385 Ca -0.14 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.13 1ss8 s THR 385 Cb 0.07 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.71 1ss8 s THR 385 CO 0.82 -0.41 1.71 -0.08 -0.54 0.00 0.00 174.62 176.12 1ss8 h GLU 386 N 2.46 0.16 -0.53 3.99 4.81 -1.99 -1.52 114.58 121.95 1ss8 h GLU 386 Ca -0.39 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1ss8 h GLU 386 Cb 1.22 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1ss8 h GLU 386 CO 0.65 0.11 0.22 0.28 -0.73 0.00 0.00 179.01 179.54 1ss8 h VAL 387 N 0.16 0.86 -0.34 0.32 2.07 -1.99 -0.49 116.25 116.83 1ss8 h VAL 387 Ca 0.21 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 1ss8 h VAL 387 Cb 0.28 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1ss8 h VAL 387 CO -0.30 0.08 -0.35 -0.33 0.02 0.00 0.00 177.57 176.68 1ss8 h GLU 388 N 0.42 0.79 0.09 1.57 5.08 -1.87 -2.46 114.58 118.20 1ss8 h GLU 388 Ca 0.25 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1ss8 h GLU 388 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ss8 h GLU 388 CO -0.23 1.02 -0.12 1.98 -1.00 0.00 0.00 179.01 180.65 1ss8 h MET 389 N 0.66 -0.24 -0.29 2.33 4.05 -0.90 -1.32 114.93 119.21 1ss8 h MET 389 Ca 0.06 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1ss8 h MET 389 Cb 0.90 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 1ss8 h MET 389 CO 0.08 -0.16 0.06 0.87 0.23 0.00 0.00 176.91 177.99 1ss8 h LYS 390 N -0.25 0.42 -0.15 0.39 1.79 -0.97 -0.31 116.57 117.49 1ss8 h LYS 390 Ca 0.01 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 1ss8 h LYS 390 Cb 0.26 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1ss8 h LYS 390 CO -0.06 0.41 -0.59 0.93 -1.08 0.00 0.00 179.45 179.06 1ss8 h GLU 391 N 0.42 0.66 -0.77 3.15 5.08 -1.35 -2.87 114.58 118.90 1ss8 h GLU 391 Ca 0.10 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1ss8 h GLU 391 Cb 0.19 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ss8 h GLU 391 CO -0.00 1.13 0.35 -0.22 -1.00 0.00 0.00 179.01 179.27 1ss8 h LYS 392 N 0.34 1.12 -0.47 2.33 3.64 -0.93 -1.09 116.57 121.51 1ss8 h LYS 392 Ca -0.03 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1ss8 h LYS 392 Cb 1.22 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1ss8 h LYS 392 CO 0.12 0.88 0.24 -0.22 -2.27 0.00 0.00 179.45 178.20 1ss8 h LYS 393 N 1.10 0.45 -0.69 1.90 3.64 -1.05 0.38 116.57 122.30 1ss8 h LYS 393 Ca 0.26 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1ss8 h LYS 393 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1ss8 h LYS 393 CO -0.03 0.30 0.15 0.00 -2.27 0.00 0.00 179.45 177.60 1ss8 h ALA 394 N 1.25 0.95 -0.32 5.00 0.00 -1.20 0.28 119.26 125.21 1ss8 h ALA 394 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ss8 h ALA 394 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ss8 h ALA 394 CO -0.14 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.91 1ss8 h ARG 395 N 1.06 0.48 -0.73 0.00 3.08 -0.73 -0.21 114.38 117.32 1ss8 h ARG 395 Ca 0.22 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1ss8 h ARG 395 Cb 0.40 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1ss8 h ARG 395 CO 0.01 0.48 0.32 0.28 -1.07 0.00 0.00 179.97 179.99 1ss8 h VAL 396 N 0.37 1.24 -0.50 2.04 2.07 0.44 -0.81 116.25 121.10 1ss8 h VAL 396 Ca 0.11 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1ss8 h VAL 396 Cb 0.18 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1ss8 h VAL 396 CO -0.01 0.30 0.33 -0.33 0.02 0.00 0.00 177.57 177.88 1ss8 h GLU 397 N 1.04 0.65 0.62 1.57 5.08 -0.11 0.15 114.58 123.57 1ss8 h GLU 397 Ca 0.25 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1ss8 h GLU 397 Cb 0.17 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ss8 h GLU 397 CO -0.03 0.43 -0.30 -0.44 -1.00 0.00 0.00 179.01 177.68 1ss8 h ASP 398 N 0.67 -0.70 -0.98 1.42 3.32 -0.70 -2.86 116.42 116.59 1ss8 h ASP 398 Ca 0.19 -0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.43 1ss8 h ASP 398 Cb -0.07 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 1ss8 h ASP 398 CO -0.05 -0.45 0.61 0.00 -1.72 0.00 0.00 179.24 177.64 1ss8 h ALA 399 N -0.55 1.88 -0.16 3.45 0.00 -0.93 -1.19 119.26 121.77 1ss8 h ALA 399 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ss8 h ALA 399 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ss8 h ALA 399 CO 0.14 -0.22 0.07 1.25 0.00 0.00 0.00 179.25 180.49 1ss8 h LEU 400 N 0.64 0.21 -0.43 0.00 5.85 -0.63 0.87 115.31 121.83 1ss8 h LEU 400 Ca 0.54 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1ss8 h LEU 400 Cb 1.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1ss8 h LEU 400 CO -0.30 0.30 0.23 0.45 -0.34 0.00 0.00 178.44 178.78 1ss8 h HIS 401 N 0.11 0.59 -0.72 1.25 3.86 -1.03 -0.03 115.15 119.18 1ss8 h HIS 401 Ca 0.05 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1ss8 h HIS 401 Cb 0.15 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1ss8 h HIS 401 CO -0.02 0.46 0.47 0.00 0.86 0.00 0.00 177.93 179.70 1ss8 h ALA 402 N 1.08 0.92 0.01 2.45 0.00 -1.10 -0.94 119.26 121.68 1ss8 h ALA 402 Ca 0.15 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1ss8 h ALA 402 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ss8 h ALA 402 CO -0.02 0.31 -0.92 1.15 0.00 0.00 0.00 179.25 179.77 1ss8 h THR 403 N 0.96 1.50 -0.06 0.00 2.02 -0.18 0.11 112.91 117.26 1ss8 h THR 403 Ca 0.27 -2.67 0.02 0.00 0.77 0.00 0.00 66.41 64.79 1ss8 h THR 403 Cb -0.09 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1ss8 h THR 403 CO -0.07 0.78 -0.05 -0.09 0.37 0.00 0.00 175.52 176.47 1ss8 h ARG 404 N 0.11 -0.05 -0.78 6.66 1.12 -0.85 -0.30 114.38 120.28 1ss8 h ARG 404 Ca -0.05 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1ss8 h ARG 404 Cb 1.56 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.50 1ss8 h ARG 404 CO 0.14 -0.04 0.35 0.00 -3.11 0.00 0.00 179.97 177.31 1ss8 h ALA 405 N 0.99 1.01 -0.44 2.80 0.00 -0.73 -2.78 119.26 120.11 1ss8 h ALA 405 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ss8 h ALA 405 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ss8 h ALA 405 CO -0.09 0.60 0.17 0.00 0.00 0.00 0.00 179.25 179.93 1ss8 h ALA 406 N 1.18 1.47 0.00 0.00 0.00 -0.35 -2.11 119.26 119.45 1ss8 h ALA 406 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ss8 h ALA 406 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ss8 h ALA 406 CO -0.03 0.41 -0.23 -0.39 0.00 0.00 0.00 179.25 179.01 1ss8 h VAL 407 N 0.63 0.45 -0.07 0.00 -1.51 -0.79 0.69 116.25 115.64 1ss8 h VAL 407 Ca 0.15 -1.33 -0.11 0.00 -1.23 0.00 0.00 66.70 64.18 1ss8 h VAL 407 Cb 0.14 1.97 0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1ss8 h VAL 407 CO -0.01 0.22 -0.40 -0.33 -1.23 0.00 0.00 177.57 175.82 1ss8 h GLU 408 N 0.00 0.40 0.00 5.19 5.08 -1.18 -3.42 114.58 120.66 1ss8 h GLU 408 Ca -0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ss8 h GLU 408 Cb 0.95 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1ss8 h GLU 408 CO 0.03 0.98 -0.02 0.39 -1.00 0.00 0.00 179.01 179.38 1ss8 n GLU 409 N -4.35 0.36 0.00 2.33 1.02 -1.00 -5.09 120.64 113.91 1ss8 n GLU 409 Ca -0.08 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 1ss8 n GLU 409 Cb 0.55 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1ss8 n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ss8 n GLY 410 N -0.07 -0.37 3.39 0.62 0.00 0.23 -4.44 105.19 104.56 1ss8 n GLY 410 Ca 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1ss8 n GLY 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss8 s VAL 411 N 0.00 0.01 0.16 1.61 0.11 -0.93 -1.24 120.40 120.12 1ss8 s VAL 411 Ca 0.00 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1ss8 s VAL 411 Cb 0.00 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1ss8 s VAL 411 CO 0.00 -0.03 0.09 0.68 -3.33 0.00 0.00 175.10 172.51 1ss8 s VAL 412 N -0.02 0.06 -0.10 2.04 -7.23 0.24 -1.35 120.40 114.05 1ss8 s VAL 412 Ca -0.02 -1.95 -0.36 0.00 -1.81 0.00 0.00 61.98 57.84 1ss8 s VAL 412 Cb -0.03 -2.26 -0.13 0.00 0.56 0.00 0.00 36.38 34.51 1ss8 s VAL 412 CO 0.02 -0.25 1.78 0.00 -0.31 0.00 0.00 175.10 176.34 1ss8 n ALA 413 N -0.18 0.55 -1.00 1.32 0.00 -1.26 -1.14 120.51 118.80 1ss8 n ALA 413 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ss8 n ALA 413 Cb 0.65 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1ss8 n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ss8 n GLY 414 N 4.12 -0.96 3.60 0.00 0.00 0.32 -1.86 105.19 110.40 1ss8 n GLY 414 Ca 0.23 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 1ss8 n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss8 n GLY 415 N 4.99 -0.51 2.20 -0.02 0.00 -1.26 -0.08 105.19 110.51 1ss8 n GLY 415 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ss8 n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss8 n GLY 416 N -1.61 1.54 0.11 -0.02 0.00 -1.26 -4.62 105.19 99.32 1ss8 n GLY 416 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ss8 n GLY 416 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ss8 h VAL 417 N 0.00 1.55 -1.00 1.61 2.07 -0.63 -2.93 116.25 116.91 1ss8 h VAL 417 Ca 0.00 -2.12 0.13 0.00 0.82 0.00 0.00 66.70 65.53 1ss8 h VAL 417 Cb 0.00 2.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 1ss8 h VAL 417 CO 0.00 0.59 0.63 0.00 0.02 0.00 0.00 177.57 178.81 1ss8 h ALA 418 N 0.21 1.56 -0.43 1.67 0.00 -1.55 0.24 119.26 120.96 1ss8 h ALA 418 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ss8 h ALA 418 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ss8 h ALA 418 CO 0.08 0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.36 1ss8 h LEU 419 N 0.95 0.80 -1.22 0.00 3.38 -1.84 -2.07 115.31 115.31 1ss8 h LEU 419 Ca 0.51 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ss8 h LEU 419 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ss8 h LEU 419 CO -0.28 0.95 -0.25 -0.29 0.09 0.00 0.00 178.44 178.66 1ss8 h ILE 420 N 0.63 0.65 -0.06 1.22 2.10 -1.21 -1.60 117.51 119.24 1ss8 h ILE 420 Ca 0.11 -1.12 -0.04 0.00 1.08 0.00 0.00 64.86 64.90 1ss8 h ILE 420 Cb 0.58 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 1ss8 h ILE 420 CO 0.03 0.24 -0.12 -0.09 -1.08 0.00 0.00 178.15 177.14 1ss8 h ARG 421 N 0.00 0.18 -0.13 2.19 9.65 -0.20 -1.36 114.38 124.70 1ss8 h ARG 421 Ca -0.00 -0.12 -0.11 0.00 -1.10 0.00 0.00 59.98 58.65 1ss8 h ARG 421 Cb 0.71 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1ss8 h ARG 421 CO 0.03 0.70 -0.41 -0.39 2.80 0.00 0.00 179.97 182.71 1ss8 h VAL 422 N -0.32 1.31 -0.13 0.20 -1.51 -1.33 -2.68 116.25 111.79 1ss8 h VAL 422 Ca 0.00 -1.52 0.01 0.00 -1.23 0.00 0.00 66.70 63.96 1ss8 h VAL 422 Cb 0.70 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1ss8 h VAL 422 CO 0.03 0.46 0.05 0.00 -1.23 0.00 0.00 177.57 176.87 1ss8 h ALA 423 N 1.33 0.14 -0.03 5.19 0.00 -1.23 -2.24 119.26 122.42 1ss8 h ALA 423 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ss8 h ALA 423 Cb 0.83 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ss8 h ALA 423 CO 0.07 -0.40 0.17 0.66 0.00 0.00 0.00 179.25 179.75 1ss8 h SER 424 N 0.11 0.00 0.65 0.00 4.64 -0.91 -0.81 113.55 117.24 1ss8 h SER 424 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ss8 h SER 424 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ss8 h SER 424 CO -0.05 0.00 -0.14 0.29 -0.87 0.00 0.00 176.83 176.06 1ss8 n LYS 425 N -3.13 0.26 -0.35 4.77 5.02 -0.85 -4.04 118.16 119.85 1ss8 n LYS 425 Ca -0.02 -0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1ss8 n LYS 425 Cb 0.24 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.98 1ss8 n LYS 425 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ss8 n LEU 426 N -1.31 3.60 -0.13 -0.35 4.77 -0.31 -4.61 117.00 118.66 1ss8 n LEU 426 Ca 0.10 -2.41 0.28 0.00 -0.03 0.00 0.00 56.01 53.94 1ss8 n LEU 426 Cb 0.31 -0.40 0.71 0.00 -2.33 0.00 0.00 43.42 41.70 1ss8 n LEU 426 CO 0.27 0.73 1.25 0.00 -1.33 0.00 0.00 177.39 178.32 1ss8 h ALA 427 N 2.38 2.69 -0.13 -1.18 0.00 -1.70 -0.63 119.26 120.68 1ss8 h ALA 427 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ss8 h ALA 427 Cb 1.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ss8 h ALA 427 CO 0.12 -1.14 0.00 -0.25 0.00 0.00 0.00 179.25 177.97 1ss8 n ASP 428 N -3.91 2.36 -4.73 0.00 8.00 -1.26 -4.96 116.55 112.06 1ss8 n ASP 428 Ca 0.17 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 1ss8 n ASP 428 Cb 1.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 1ss8 n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ss8 s LEU 429 N -1.79 4.37 0.35 0.64 2.96 -0.25 -5.02 118.68 119.95 1ss8 s LEU 429 Ca 0.34 2.67 0.04 0.00 -0.22 0.00 0.00 54.13 56.96 1ss8 s LEU 429 Cb 0.20 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1ss8 s LEU 429 CO 0.30 -0.82 0.06 -0.13 -1.32 0.00 0.00 176.35 174.44 1ss8 s ARG 430 N 0.75 1.74 0.00 1.98 1.81 -1.26 -4.96 118.95 119.01 1ss8 s ARG 430 Ca 0.68 -1.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1ss8 s ARG 430 Cb -0.44 -0.95 0.00 0.00 -0.45 0.00 0.00 34.95 33.11 1ss8 s ARG 430 CO 0.35 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.16 1ss8 n GLY 431 N -0.77 6.46 0.27 -3.53 0.00 -1.26 -5.00 105.19 101.36 1ss8 n GLY 431 Ca -0.04 -1.86 0.16 0.00 0.00 0.00 0.00 46.02 44.28 1ss8 n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ss8 h GLN 432 N 0.00 0.00 0.00 1.61 4.20 -1.99 -3.48 115.11 115.45 1ss8 h GLN 432 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ss8 h GLN 432 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ss8 h GLN 432 CO 0.00 0.07 0.16 0.27 -0.67 0.00 0.00 178.83 178.66 1ss8 n ASN 433 N -3.25 -0.84 0.10 1.46 0.23 -1.26 -5.06 115.26 106.63 1ss8 n ASN 433 Ca -0.00 -1.54 -0.05 0.00 -0.53 0.00 0.00 54.58 52.46 1ss8 n ASN 433 Cb 0.29 1.39 0.04 0.00 -2.08 0.00 0.00 39.78 39.42 1ss8 n ASN 433 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ss8 h GLU 434 N 0.00 0.07 -0.27 -3.83 4.57 -2.00 -1.55 114.58 111.57 1ss8 h GLU 434 Ca -0.13 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 57.85 1ss8 h GLU 434 Cb 0.49 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ss8 h GLU 434 CO 0.16 0.82 -0.41 -0.44 -1.18 0.00 0.00 179.01 177.96 1ss8 h ASP 435 N 0.04 0.69 -0.61 1.04 3.32 -1.96 -1.75 116.42 117.19 1ss8 h ASP 435 Ca -0.02 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 1ss8 h ASP 435 Cb 1.40 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1ss8 h ASP 435 CO 0.11 1.02 0.13 1.56 -1.72 0.00 0.00 179.24 180.34 1ss8 h GLN 436 N 0.53 1.02 -0.24 3.56 4.20 -1.59 -1.52 115.11 121.07 1ss8 h GLN 436 Ca 0.04 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1ss8 h GLN 436 Cb 0.94 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1ss8 h GLN 436 CO 0.08 0.92 0.11 -0.91 -0.67 0.00 0.00 178.83 178.36 1ss8 h ASN 437 N 0.96 0.32 -0.45 1.46 -0.26 -0.87 -0.49 115.58 116.25 1ss8 h ASN 437 Ca 0.20 -0.14 0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1ss8 h ASN 437 Cb 0.37 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1ss8 h ASN 437 CO 0.01 0.37 0.30 -0.37 -1.06 0.00 0.00 177.43 176.68 1ss8 h VAL 438 N 0.25 1.01 0.11 2.81 -1.51 -1.00 -0.58 116.25 117.34 1ss8 h VAL 438 Ca 0.08 -0.15 0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1ss8 h VAL 438 Cb 0.14 0.52 -0.05 0.00 -2.13 0.00 0.00 31.29 29.78 1ss8 h VAL 438 CO -0.01 0.08 -0.50 1.23 -1.23 0.00 0.00 177.57 177.15 1ss8 h GLY 439 N 0.45 -1.05 -0.39 5.19 0.00 -0.11 0.17 103.07 107.33 1ss8 h GLY 439 Ca 0.19 0.60 0.07 0.00 0.00 0.00 0.00 47.33 48.19 1ss8 h GLY 439 CO -0.05 -0.27 -0.46 -2.22 0.00 0.00 0.00 176.54 173.54 1ss8 h ILE 440 N -0.72 0.08 -0.83 2.60 2.04 -0.19 -2.03 117.51 118.45 1ss8 h ILE 440 Ca 0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1ss8 h ILE 440 Cb 0.74 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.80 1ss8 h ILE 440 CO -0.28 0.00 0.42 0.11 0.00 0.00 0.00 178.15 178.40 1ss8 h LYS 441 N -0.31 0.61 -0.70 2.37 1.79 -0.70 0.79 116.57 120.41 1ss8 h LYS 441 Ca 0.14 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.67 1ss8 h LYS 441 Cb 0.58 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 31.02 1ss8 h LYS 441 CO -0.62 0.40 0.33 0.28 -1.08 0.00 0.00 179.45 178.77 1ss8 h VAL 442 N 0.62 0.81 -0.11 0.50 2.07 0.04 -2.03 116.25 118.15 1ss8 h VAL 442 Ca 0.44 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1ss8 h VAL 442 Cb 0.60 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ss8 h VAL 442 CO -0.35 0.10 -0.16 0.00 0.02 0.00 0.00 177.57 177.18 1ss8 h ALA 443 N 1.44 0.17 -0.54 1.67 0.00 -0.88 -2.32 119.26 118.82 1ss8 h ALA 443 Ca 0.35 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ss8 h ALA 443 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ss8 h ALA 443 CO -0.29 0.08 0.36 -0.07 0.00 0.00 0.00 179.25 179.32 1ss8 h LEU 444 N -0.10 0.49 0.00 0.00 3.38 -0.57 -1.56 115.31 116.95 1ss8 h LEU 444 Ca 0.01 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1ss8 h LEU 444 Cb 0.72 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ss8 h LEU 444 CO 0.04 0.33 -0.82 -0.09 0.09 0.00 0.00 178.44 177.99 1ss8 h ARG 445 N 0.56 0.00 0.00 1.13 2.43 -1.26 -3.09 114.38 114.16 1ss8 h ARG 445 Ca 0.22 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1ss8 h ARG 445 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1ss8 h ARG 445 CO -0.06 0.49 -0.28 0.00 -1.51 0.00 0.00 179.97 178.62 1ss8 h ALA 446 N 1.42 0.99 0.00 2.80 0.00 -0.72 -2.50 119.26 121.25 1ss8 h ALA 446 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ss8 h ALA 446 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ss8 h ALA 446 CO 0.07 0.35 0.00 -1.33 0.00 0.00 0.00 179.25 178.34 1ss8 n MET 447 N -3.41 0.15 0.08 0.00 2.81 -1.00 -1.23 117.12 114.53 1ss8 n MET 447 Ca 0.00 0.09 0.12 0.00 -1.81 0.00 0.00 57.70 56.10 1ss8 n MET 447 Cb 0.48 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.65 1ss8 n MET 447 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ss8 h GLU 448 N 0.00 0.00 -0.62 0.03 5.08 -1.59 -3.28 114.58 114.20 1ss8 h GLU 448 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1ss8 h GLU 448 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1ss8 h GLU 448 CO 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 179.01 178.12 1ss8 h ALA 449 N 2.41 0.83 -0.13 3.43 0.00 -1.30 -1.39 119.26 123.12 1ss8 h ALA 449 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ss8 h ALA 449 Cb 0.79 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ss8 h ALA 449 CO 0.00 0.58 0.03 -1.35 0.00 0.00 0.00 179.25 178.51 1ss8 h PRO 450 N 0.94 0.08 -0.63 0.00 0.11 -1.78 0.33 132.00 131.05 1ss8 h PRO 450 Ca 0.19 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 1ss8 h PRO 450 Cb 0.42 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1ss8 h PRO 450 CO 0.01 0.05 0.15 1.25 -0.21 0.00 0.00 178.00 179.26 1ss8 h LEU 451 N 0.08 0.92 -0.51 2.35 5.85 -1.70 -0.33 115.31 121.98 1ss8 h LEU 451 Ca 0.05 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1ss8 h LEU 451 Cb 0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1ss8 h LEU 451 CO -0.07 0.89 0.31 0.03 -0.34 0.00 0.00 178.44 179.26 1ss8 h ARG 452 N 0.94 0.68 -0.05 1.25 3.08 -0.64 -0.88 114.38 118.76 1ss8 h ARG 452 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ss8 h ARG 452 Cb 0.33 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ss8 h ARG 452 CO -0.00 0.49 0.02 0.37 -1.07 0.00 0.00 179.97 179.77 1ss8 h GLN 453 N 0.68 0.08 -0.88 0.04 5.75 0.21 0.12 115.11 121.11 1ss8 h GLN 453 Ca 0.18 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.80 1ss8 h GLN 453 Cb -0.03 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.42 1ss8 h GLN 453 CO -0.04 0.25 0.50 0.82 -2.65 0.00 0.00 178.83 177.71 1ss8 h ILE 454 N -0.11 0.80 -0.05 2.39 2.04 -0.76 -0.32 117.51 121.50 1ss8 h ILE 454 Ca 0.02 -0.25 -0.21 0.00 1.00 0.00 0.00 64.86 65.42 1ss8 h ILE 454 Cb 0.20 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1ss8 h ILE 454 CO -0.00 0.13 -0.83 0.58 0.00 0.00 0.00 178.15 178.04 1ss8 h VAL 455 N 0.74 1.38 -0.79 1.67 2.07 -0.71 -2.83 116.25 117.77 1ss8 h VAL 455 Ca 0.47 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 1ss8 h VAL 455 Cb 0.59 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1ss8 h VAL 455 CO -0.32 0.68 0.33 0.25 0.02 0.00 0.00 177.57 178.53 1ss8 h LEU 456 N 0.29 1.08 -1.78 2.57 5.85 0.40 0.61 115.31 124.34 1ss8 h LEU 456 Ca -0.05 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1ss8 h LEU 456 Cb 1.43 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ss8 h LEU 456 CO 0.15 0.95 -0.16 0.78 -0.34 0.00 0.00 178.44 179.82 1ss8 h ASN 457 N 1.14 0.00 0.32 1.25 2.35 -0.87 -1.20 115.58 118.58 1ss8 h ASN 457 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1ss8 h ASN 457 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ss8 h ASN 457 CO -0.02 0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 1ss8 n GLY 459 N 0.37 1.00 4.01 0.00 0.00 -0.45 -5.06 105.19 105.05 1ss8 n GLY 459 Ca 0.10 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1ss8 n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ss8 s GLU 460 N -2.60 2.73 -0.53 1.61 0.41 -0.98 -5.04 118.70 114.29 1ss8 s GLU 460 Ca 0.00 -1.22 -0.27 0.00 -0.41 0.00 0.00 54.97 53.07 1ss8 s GLU 460 Cb 0.00 -2.71 0.03 0.00 -1.78 0.00 0.00 34.13 29.67 1ss8 s GLU 460 CO 0.00 -0.40 1.08 -1.21 -0.49 0.00 0.00 175.26 174.24 1ss8 s GLU 461 N -4.44 3.52 0.32 1.61 2.02 -1.26 -4.32 118.70 116.14 1ss8 s GLU 461 Ca 0.56 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.76 1ss8 s GLU 461 Cb -0.10 -3.98 0.53 0.00 0.10 0.00 0.00 34.13 30.68 1ss8 s GLU 461 CO 0.34 -1.49 1.86 -1.00 0.02 0.00 0.00 175.26 175.00 1ss8 h PRO 462 N 9.34 0.65 0.00 0.39 0.13 -1.88 -1.98 132.00 138.66 1ss8 h PRO 462 Ca -0.25 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1ss8 h PRO 462 Cb 1.06 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ss8 h PRO 462 CO 1.12 0.62 -0.04 0.66 -0.23 0.00 0.00 178.00 180.14 1ss8 h SER 463 N 0.63 0.00 0.20 1.44 4.64 -1.94 0.70 113.55 119.23 1ss8 h SER 463 Ca 0.14 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.17 1ss8 h SER 463 Cb 0.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1ss8 h SER 463 CO 0.00 0.04 -1.29 0.58 -0.87 0.00 0.00 176.83 175.29 1ss8 h VAL 464 N 0.00 1.30 -0.54 0.95 2.07 -1.80 -2.32 116.25 115.91 1ss8 h VAL 464 Ca -0.00 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 64.89 1ss8 h VAL 464 Cb 0.58 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1ss8 h VAL 464 CO 0.01 0.78 0.22 0.58 0.02 0.00 0.00 177.57 179.17 1ss8 h VAL 465 N -0.06 1.22 -0.72 2.57 2.07 -1.30 -2.01 116.25 118.02 1ss8 h VAL 465 Ca -0.23 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1ss8 h VAL 465 Cb 1.96 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1ss8 h VAL 465 CO 0.21 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.35 1ss8 h ALA 466 N 1.07 1.16 -0.40 1.67 0.00 -0.87 -0.54 119.26 121.34 1ss8 h ALA 466 Ca 0.18 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ss8 h ALA 466 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ss8 h ALA 466 CO -0.02 0.61 -0.07 -0.97 0.00 0.00 0.00 179.25 178.81 1ss8 h ASN 467 N 1.04 0.75 -0.10 0.00 -1.24 -1.28 -0.29 115.58 114.47 1ss8 h ASN 467 Ca 0.24 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 1ss8 h ASN 467 Cb 0.19 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1ss8 h ASN 467 CO -0.02 0.92 0.01 0.74 -1.29 0.00 0.00 177.43 177.79 1ss8 h THR 468 N 0.57 1.24 -0.53 -3.57 2.02 -1.16 -2.54 112.91 108.93 1ss8 h THR 468 Ca 0.11 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1ss8 h THR 468 Cb 0.58 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1ss8 h THR 468 CO 0.03 0.21 0.34 0.58 0.37 0.00 0.00 175.52 177.06 1ss8 h VAL 469 N -0.09 1.14 0.00 3.16 2.07 -0.96 -1.99 116.25 119.57 1ss8 h VAL 469 Ca 0.03 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1ss8 h VAL 469 Cb 0.32 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ss8 h VAL 469 CO 0.00 0.14 -0.09 0.11 0.02 0.00 0.00 177.57 177.75 1ss8 h LYS 470 N 0.71 0.00 0.00 1.57 1.57 -1.02 -2.57 116.57 116.83 1ss8 h LYS 470 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1ss8 h LYS 470 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1ss8 h LYS 470 CO -0.04 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1ss8 n GLY 471 N -0.66 -1.58 2.42 3.86 0.00 -0.76 -4.89 105.19 103.59 1ss8 n GLY 471 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1ss8 n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss8 n GLY 472 N 1.05 0.02 3.43 -0.02 0.00 -0.97 -5.10 105.19 103.61 1ss8 n GLY 472 Ca 0.05 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.95 1ss8 n GLY 472 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ss8 s ASP 473 N -3.71 3.08 0.76 1.61 2.15 -1.26 -5.02 116.67 114.29 1ss8 s ASP 473 Ca 0.43 -1.09 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1ss8 s ASP 473 Cb -0.02 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 1ss8 s ASP 473 CO 0.29 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.75 1ss8 n GLY 474 N -0.56 0.58 0.41 2.66 0.00 -1.26 -2.72 105.19 104.29 1ss8 n GLY 474 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ss8 n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ss8 n ASN 475 N -2.13 0.46 -4.73 1.61 3.02 -1.26 -4.86 115.26 107.37 1ss8 n ASN 475 Ca 0.00 -1.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 1ss8 n ASN 475 Cb 0.00 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1ss8 n ASN 475 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ss8 s TYR 476 N -1.19 3.07 0.00 3.10 5.04 -1.10 -0.23 117.35 126.04 1ss8 s TYR 476 Ca 0.00 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1ss8 s TYR 476 Cb 0.00 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.45 1ss8 s TYR 476 CO 0.00 -3.02 0.00 0.41 -1.34 0.00 0.00 175.55 171.60 1ss8 n GLY 477 N 3.17 1.88 3.39 8.97 0.00 0.08 -4.88 105.19 117.81 1ss8 n GLY 477 Ca 0.11 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1ss8 n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ss8 s TYR 478 N -3.21 2.73 -0.55 1.61 5.04 -1.26 -1.93 117.35 119.76 1ss8 s TYR 478 Ca 0.00 -0.50 -0.20 0.00 -2.44 0.00 0.00 57.07 53.93 1ss8 s TYR 478 Cb 0.00 -1.74 0.07 0.00 0.35 0.00 0.00 41.96 40.64 1ss8 s TYR 478 CO 0.00 -0.08 0.72 1.21 -1.34 0.00 0.00 175.55 176.06 1ss8 s ASN 479 N -0.08 6.22 0.43 4.32 3.84 0.30 -4.95 114.94 125.02 1ss8 s ASN 479 Ca -0.03 -1.01 0.21 0.00 0.21 0.00 0.00 52.86 52.24 1ss8 s ASN 479 Cb -0.14 -2.32 0.98 0.00 -0.55 0.00 0.00 41.25 39.22 1ss8 s ASN 479 CO 0.04 -1.05 1.88 0.00 -2.79 0.00 0.00 177.10 175.18 1ss8 h ALA 480 N 9.15 1.20 0.22 1.71 0.00 -1.94 0.63 119.26 130.21 1ss8 h ALA 480 Ca -0.28 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1ss8 h ALA 480 Cb 1.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1ss8 h ALA 480 CO 1.04 0.33 -0.31 0.00 0.00 0.00 0.00 179.25 180.31 1ss8 h ALA 481 N 1.73 -0.60 -0.00 0.00 0.00 -1.94 -3.31 119.26 115.15 1ss8 h ALA 481 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ss8 h ALA 481 Cb 0.63 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ss8 h ALA 481 CO 0.03 -0.88 -0.75 0.25 0.00 0.00 0.00 179.25 177.90 1ss8 n THR 482 N -5.42 0.00 -3.71 0.00 -2.24 -0.99 -4.97 114.28 96.95 1ss8 n THR 482 Ca -0.08 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 1ss8 n THR 482 Cb 0.33 0.71 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1ss8 n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ss8 n GLU 483 N -1.37 -3.82 -4.13 -0.78 1.02 0.22 -5.05 120.64 106.73 1ss8 n GLU 483 Ca 0.05 0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1ss8 n GLU 483 Cb 0.34 -4.93 -0.10 0.00 -0.02 0.00 0.00 31.44 26.72 1ss8 n GLU 483 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ss8 s GLU 484 N -5.96 0.73 0.43 3.49 0.41 -1.19 -4.97 118.70 111.65 1ss8 s GLU 484 Ca 0.12 -1.18 -0.08 0.00 -0.41 0.00 0.00 54.97 53.41 1ss8 s GLU 484 Cb -0.03 -0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 32.10 1ss8 s GLU 484 CO 0.83 -0.02 0.77 0.71 -0.49 0.00 0.00 175.26 177.06 1ss8 s TYR 485 N -3.14 3.51 0.00 1.61 1.51 -1.26 0.11 117.35 119.68 1ss8 s TYR 485 Ca 0.06 0.94 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 1ss8 s TYR 485 Cb 0.02 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1ss8 s TYR 485 CO -0.04 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.64 1ss8 n GLY 486 N -1.68 -1.04 3.62 0.71 0.00 -0.81 -4.85 105.19 101.14 1ss8 n GLY 486 Ca 0.02 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1ss8 n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ss8 s ASN 487 N 0.00 6.72 0.27 1.61 3.84 -1.26 -0.74 114.94 125.38 1ss8 s ASN 487 Ca 0.00 0.75 -0.01 0.00 0.21 0.00 0.00 52.86 53.81 1ss8 s ASN 487 Cb 0.00 -2.44 0.48 0.00 -0.55 0.00 0.00 41.25 38.75 1ss8 s ASN 487 CO 0.00 -0.67 1.85 0.24 -2.79 0.00 0.00 177.10 175.73 1ss8 h MET 488 N 8.10 1.00 -0.55 0.43 2.86 -0.94 -0.24 114.93 125.60 1ss8 h MET 488 Ca -0.23 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 1ss8 h MET 488 Cb 1.09 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1ss8 h MET 488 CO 0.92 0.66 -0.02 0.82 1.06 0.00 0.00 176.91 180.35 1ss8 h ILE 489 N 1.03 1.27 -0.52 -1.22 1.08 -1.80 -1.24 117.51 116.10 1ss8 h ILE 489 Ca 0.46 -1.15 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1ss8 h ILE 489 Cb 0.36 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1ss8 h ILE 489 CO -0.23 0.41 0.12 0.44 -0.69 0.00 0.00 178.15 178.20 1ss8 h ASP 490 N 0.87 0.74 0.21 1.72 3.32 -1.84 -2.51 116.42 118.94 1ss8 h ASP 490 Ca 0.15 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ss8 h ASP 490 Cb 0.56 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ss8 h ASP 490 CO 0.03 0.73 0.00 0.23 -1.72 0.00 0.00 179.24 178.52 1ss8 n MET 491 N -4.28 0.57 -2.03 3.56 2.81 -0.14 -4.90 117.12 112.71 1ss8 n MET 491 Ca 0.04 0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.81 1ss8 n MET 491 Cb 0.22 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 1ss8 n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ss8 n GLY 492 N 0.64 0.27 3.33 3.03 0.00 -0.81 -5.00 105.19 106.65 1ss8 n GLY 492 Ca 0.15 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 1ss8 n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ss8 s ILE 493 N -2.68 5.17 0.08 -0.61 1.01 -0.53 -5.03 121.20 118.62 1ss8 s ILE 493 Ca 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 1ss8 s ILE 493 Cb 0.00 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1ss8 s ILE 493 CO 0.00 -0.94 0.11 -1.48 0.00 0.00 0.00 174.94 172.62 1ss8 s LEU 494 N 1.66 1.80 0.16 2.97 0.05 -1.26 -0.52 118.68 123.55 1ss8 s LEU 494 Ca 0.06 -0.84 0.10 0.00 0.05 0.00 0.00 54.13 53.51 1ss8 s LEU 494 Cb -0.27 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.52 1ss8 s LEU 494 CO 0.02 -0.69 -0.23 -1.81 -0.55 0.00 0.00 176.35 173.09 1ss8 s ASP 495 N -2.90 3.13 0.28 1.48 1.01 -0.29 -4.67 116.67 114.71 1ss8 s ASP 495 Ca 0.08 -0.82 -0.30 0.00 0.71 0.00 0.00 52.55 52.21 1ss8 s ASP 495 Cb 0.06 -0.21 -0.11 0.00 1.01 0.00 0.00 42.92 43.67 1ss8 s ASP 495 CO -0.09 0.09 1.59 -2.84 0.21 0.00 0.00 175.17 174.13 1ss8 s PRO 496 N -2.50 4.14 0.30 8.23 0.02 -1.26 -0.59 135.00 143.34 1ss8 s PRO 496 Ca 0.17 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.79 1ss8 s PRO 496 Cb -0.08 -3.04 0.77 0.00 0.02 0.00 0.00 34.50 32.17 1ss8 s PRO 496 CO 0.08 -0.62 1.73 1.15 -0.33 0.00 0.00 177.00 179.01 1ss8 h THR 497 N 3.46 0.57 -0.87 0.99 2.02 -1.39 -1.51 112.91 116.20 1ss8 h THR 497 Ca -0.46 -0.20 0.11 0.00 0.77 0.00 0.00 66.41 66.63 1ss8 h THR 497 Cb 1.22 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 1ss8 h THR 497 CO 0.81 0.10 0.56 0.50 0.37 0.00 0.00 175.52 177.87 1ss8 h LYS 498 N 0.57 0.75 -0.02 6.66 3.64 -1.82 0.28 116.57 126.63 1ss8 h LYS 498 Ca 0.59 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.70 1ss8 h LYS 498 Cb 1.05 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ss8 h LYS 498 CO -0.46 0.50 -0.91 -0.39 -2.27 0.00 0.00 179.45 175.92 1ss8 h VAL 499 N 0.77 1.37 -0.36 2.00 -1.51 -1.58 -1.33 116.25 115.61 1ss8 h VAL 499 Ca 0.41 -2.34 -0.17 0.00 -1.23 0.00 0.00 66.70 63.38 1ss8 h VAL 499 Cb 0.53 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1ss8 h VAL 499 CO -0.18 0.70 -0.42 0.74 -1.23 0.00 0.00 177.57 177.18 1ss8 h THR 500 N 0.28 1.27 -0.36 7.19 2.02 -1.16 0.11 112.91 122.26 1ss8 h THR 500 Ca -0.07 -1.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 1ss8 h THR 500 Cb 1.53 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1ss8 h THR 500 CO 0.16 0.53 0.22 -0.09 0.37 0.00 0.00 175.52 176.71 1ss8 h ARG 501 N 0.75 0.49 -0.35 6.66 2.43 -0.52 -2.25 114.38 121.59 1ss8 h ARG 501 Ca 0.05 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1ss8 h ARG 501 Cb 1.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1ss8 h ARG 501 CO 0.10 0.37 -0.06 0.77 -1.51 0.00 0.00 179.97 179.64 1ss8 h SER 502 N 0.47 0.66 -0.82 -3.80 0.02 -1.13 -1.68 113.55 107.27 1ss8 h SER 502 Ca 0.13 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1ss8 h SER 502 Cb 0.01 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1ss8 h SER 502 CO -0.02 0.86 0.52 0.00 -1.14 0.00 0.00 176.83 177.04 1ss8 h ALA 503 N 0.83 1.10 -0.38 3.77 0.00 -0.83 -1.34 119.26 122.41 1ss8 h ALA 503 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ss8 h ALA 503 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ss8 h ALA 503 CO 0.03 0.30 0.18 1.25 0.00 0.00 0.00 179.25 181.01 1ss8 h LEU 504 N 0.98 0.50 -0.10 0.00 6.46 -1.33 -0.39 115.31 121.42 1ss8 h LEU 504 Ca 0.34 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1ss8 h LEU 504 Cb 0.08 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1ss8 h LEU 504 CO -0.14 0.50 -0.19 1.56 -0.62 0.00 0.00 178.44 179.55 1ss8 h GLN 505 N 0.47 0.31 -0.21 1.25 4.20 -0.72 -1.45 115.11 118.95 1ss8 h GLN 505 Ca 0.13 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ss8 h GLN 505 Cb 0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1ss8 h GLN 505 CO -0.02 0.78 0.12 1.88 -0.67 0.00 0.00 178.83 180.93 1ss8 h TYR 506 N -0.14 0.29 -0.76 2.96 0.05 -1.31 -0.97 116.97 117.09 1ss8 h TYR 506 Ca 0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1ss8 h TYR 506 Cb 0.77 -0.09 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 1ss8 h TYR 506 CO 0.11 0.24 0.42 0.00 -1.05 0.00 0.00 178.16 177.87 1ss8 h ALA 507 N 1.02 1.07 -0.19 3.88 0.00 -0.94 -1.99 119.26 122.10 1ss8 h ALA 507 Ca 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ss8 h ALA 507 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ss8 h ALA 507 CO -0.01 0.05 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 1ss8 h ALA 508 N 1.43 1.28 0.59 0.00 0.00 -0.84 -0.55 119.26 121.18 1ss8 h ALA 508 Ca 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ss8 h ALA 508 Cb 0.34 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ss8 h ALA 508 CO -0.24 0.48 -0.29 1.03 0.00 0.00 0.00 179.25 180.23 1ss8 h SER 509 N 0.31 -0.68 -0.55 0.00 0.87 -0.46 -1.18 113.55 111.87 1ss8 h SER 509 Ca 0.05 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ss8 h SER 509 Cb 0.55 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1ss8 h SER 509 CO 0.04 -0.33 0.33 -0.37 -0.53 0.00 0.00 176.83 175.97 1ss8 h VAL 510 N -1.04 1.16 -0.93 2.23 -1.51 -1.37 -2.14 116.25 112.66 1ss8 h VAL 510 Ca -0.08 -0.35 0.19 0.00 -1.23 0.00 0.00 66.70 65.22 1ss8 h VAL 510 Cb 0.67 0.41 -0.08 0.00 -2.13 0.00 0.00 31.29 30.16 1ss8 h VAL 510 CO 0.13 0.16 0.60 0.00 -1.23 0.00 0.00 177.57 177.24 1ss8 h ALA 511 N 1.17 1.99 -0.08 5.19 0.00 -1.06 0.92 119.26 127.38 1ss8 h ALA 511 Ca 0.20 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1ss8 h ALA 511 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ss8 h ALA 511 CO -0.04 -0.28 -0.42 0.78 0.00 0.00 0.00 179.25 179.29 1ss8 h GLY 512 N 0.57 0.47 1.00 0.00 0.00 -0.71 0.25 103.07 104.66 1ss8 h GLY 512 Ca 0.49 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1ss8 h GLY 512 CO -0.23 0.60 0.41 1.41 0.00 0.00 0.00 176.54 178.73 1ss8 h LEU 513 N -0.02 0.73 -0.58 3.11 3.38 -0.77 -2.18 115.31 118.99 1ss8 h LEU 513 Ca -0.03 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1ss8 h LEU 513 Cb 1.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ss8 h LEU 513 CO 0.09 0.54 -0.24 -0.03 0.09 0.00 0.00 178.44 178.89 1ss8 h MET 514 N 0.85 0.88 0.00 1.13 4.05 -0.69 0.06 114.93 121.22 1ss8 h MET 514 Ca 0.23 -0.38 -0.02 0.00 -0.28 0.00 0.00 59.70 59.25 1ss8 h MET 514 Cb -0.09 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1ss8 h MET 514 CO -0.05 1.02 -0.10 0.82 0.23 0.00 0.00 176.91 178.84 1ss8 h ILE 515 N 0.76 0.51 -0.33 1.77 2.04 -0.69 -2.70 117.51 118.88 1ss8 h ILE 515 Ca 0.10 -0.46 -0.19 0.00 1.00 0.00 0.00 64.86 65.31 1ss8 h ILE 515 Cb 0.79 1.30 -0.12 0.00 -0.74 0.00 0.00 36.82 38.05 1ss8 h ILE 515 CO 0.07 0.10 -0.21 0.35 0.00 0.00 0.00 178.15 178.45 1ss8 n THR 516 N -3.61 2.52 -3.43 -0.27 -2.24 -0.07 -4.83 114.28 102.34 1ss8 n THR 516 Ca -0.02 -3.00 -0.37 0.00 -2.27 0.00 0.00 64.05 58.39 1ss8 n THR 516 Cb 0.22 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1ss8 n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ss8 s THR 517 N -3.41 5.25 -0.22 4.28 2.01 -0.75 -4.99 115.64 117.81 1ss8 s THR 517 Ca 0.44 0.72 0.15 0.00 0.31 0.00 0.00 61.69 63.32 1ss8 s THR 517 Cb 0.40 -3.72 -0.22 0.00 0.01 0.00 0.00 72.50 68.98 1ss8 s THR 517 CO -0.02 0.34 0.42 -0.62 -0.69 0.00 0.00 174.62 174.06 1ss8 n GLU 518 N 3.75 0.94 -3.85 4.92 -0.58 -1.26 -4.77 120.64 119.78 1ss8 n GLU 518 Ca -0.09 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.42 1ss8 n GLU 518 Cb 0.52 -1.32 -0.14 0.00 -0.57 0.00 0.00 31.44 29.93 1ss8 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ss8 s MET 520 N 0.15 1.71 -0.07 0.00 -1.94 -0.10 -4.98 119.30 114.05 1ss8 s MET 520 Ca -0.01 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.42 1ss8 s MET 520 Cb -0.02 -1.50 -0.01 0.00 2.01 0.00 0.00 34.83 35.31 1ss8 s MET 520 CO -0.00 0.25 -0.22 0.08 -0.01 0.00 0.00 175.02 175.11 1ss8 s VAL 521 N 0.01 2.32 0.32 -6.03 1.01 -1.26 -1.64 120.40 115.13 1ss8 s VAL 521 Ca -0.03 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1ss8 s VAL 521 Cb -0.11 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1ss8 s VAL 521 CO 0.02 0.57 0.65 0.28 0.00 0.00 0.00 175.10 176.61 1ss8 s THR 522 N -0.10 0.00 0.48 3.92 -1.32 -1.06 -5.01 115.64 112.54 1ss8 s THR 522 Ca -0.05 -1.19 -0.20 0.00 -1.21 0.00 0.00 61.69 59.05 1ss8 s THR 522 Cb -0.14 -2.45 -0.09 0.00 -1.51 0.00 0.00 72.50 68.31 1ss8 s THR 522 CO 0.04 0.00 1.01 -1.81 -2.21 0.00 0.00 174.62 171.65 1ss8 s ASP 523 N -3.04 6.52 0.19 8.08 1.01 -1.26 -0.61 116.67 127.55 1ss8 s ASP 523 Ca 0.18 1.82 -0.31 0.00 0.71 0.00 0.00 52.55 54.95 1ss8 s ASP 523 Cb -0.04 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1ss8 s ASP 523 CO 0.11 -0.66 1.55 -0.76 0.21 0.00 0.00 175.17 175.62 1ss8 s LEU 524 N -3.49 4.37 0.00 1.23 1.43 -1.10 -4.52 118.68 116.60 1ss8 s LEU 524 Ca 0.65 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 56.39 1ss8 s LEU 524 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ss8 s LEU 524 CO 0.20 -0.81 0.30 -0.81 0.23 0.00 0.00 176.35 175.46