#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu8 h LEU 8 N 0.00 0.00 -9.52 2.45 5.85 -2.04 -3.46 115.31 108.59 2pu8 h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 2pu8 h LEU 8 Cb 0.00 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.07 2pu8 h LEU 8 CO 0.00 0.28 1.11 -0.47 -0.34 0.00 0.00 178.44 179.01 2pu8 s TYR 9 N -3.22 2.18 -0.03 1.25 6.14 -1.26 -4.80 117.35 117.60 2pu8 s TYR 9 Ca 0.04 -0.00 -0.02 0.00 0.64 0.00 0.00 57.07 57.73 2pu8 s TYR 9 Cb 0.08 -4.17 0.02 0.00 0.42 0.00 0.00 41.96 38.30 2pu8 s TYR 9 CO 0.69 -4.83 0.07 -1.21 0.64 0.00 0.00 175.55 170.91 2pu8 s GLU 10 N 2.68 0.04 0.15 4.97 2.02 -1.26 -5.07 118.70 122.23 2pu8 s GLU 10 Ca 0.81 0.18 -0.31 0.00 0.02 0.00 0.00 54.97 55.67 2pu8 s GLU 10 Cb -0.46 -0.10 -0.08 0.00 0.10 0.00 0.00 34.13 33.58 2pu8 s GLU 10 CO 0.36 -0.09 1.36 0.95 0.02 0.00 0.00 175.26 177.86 2pu8 s THR 11 N 0.62 3.24 0.67 3.63 -4.23 -1.26 -5.00 115.64 113.31 2pu8 s THR 11 Ca -0.05 0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 61.30 2pu8 s THR 11 Cb -0.07 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 2pu8 s THR 11 CO -0.02 0.10 1.05 -0.76 -0.54 0.00 0.00 174.62 174.45 2pu8 s LEU 12 N 0.56 3.12 0.39 4.79 1.43 -1.26 -5.08 118.68 122.64 2pu8 s LEU 12 Ca 0.61 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 2pu8 s LEU 12 Cb -0.37 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 2pu8 s LEU 12 CO 0.34 -1.22 0.19 0.54 0.23 0.00 0.00 176.35 176.43 2pu8 s ASN 13 N -4.02 2.49 0.29 2.29 2.20 -1.26 -5.00 114.94 111.94 2pu8 s ASN 13 Ca 0.57 -1.73 0.04 0.00 -0.94 0.00 0.00 52.86 50.79 2pu8 s ASN 13 Cb -0.12 0.58 0.67 0.00 -2.00 0.00 0.00 41.25 40.37 2pu8 s ASN 13 CO 0.54 -1.01 1.78 -0.33 -2.94 0.00 0.00 177.10 175.15 2pu8 h GLU 14 N 1.87 0.76 -0.01 3.55 3.07 -1.99 -0.09 114.58 121.74 2pu8 h GLU 14 Ca -0.31 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 2pu8 h GLU 14 Cb 1.26 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2pu8 h GLU 14 CO 0.49 0.50 -0.05 1.03 -1.40 0.00 0.00 179.01 179.58 2pu8 h SER 15 N 0.78 0.06 -0.86 1.42 0.87 -1.97 -3.00 113.55 110.86 2pu8 h SER 15 Ca 0.55 -0.65 0.19 0.00 -1.23 0.00 0.00 61.79 60.64 2pu8 h SER 15 Cb 0.79 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.62 2pu8 h SER 15 CO -0.36 0.70 0.39 0.28 -0.53 0.00 0.00 176.83 177.31 2pu8 h SER 16 N -0.57 0.37 -0.37 6.23 0.02 -1.85 -1.62 113.55 115.76 2pu8 h SER 16 Ca -0.00 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2pu8 h SER 16 Cb 0.70 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2pu8 h SER 16 CO 0.01 0.08 -0.14 0.00 -1.14 0.00 0.00 176.83 175.64 2pu8 h ALA 17 N 1.64 0.52 -0.44 3.77 0.00 -1.07 -1.74 119.26 121.95 2pu8 h ALA 17 Ca 0.51 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2pu8 h ALA 17 Cb 0.88 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pu8 h ALA 17 CO -0.46 0.42 -0.12 -0.39 0.00 0.00 0.00 179.25 178.70 2pu8 h VAL 18 N 0.55 1.26 -0.92 0.00 -1.51 -1.31 -1.52 116.25 112.79 2pu8 h VAL 18 Ca 0.09 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 2pu8 h VAL 18 Cb 0.68 1.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.85 2pu8 h VAL 18 CO 0.05 0.41 0.52 0.00 -1.23 0.00 0.00 177.57 177.32 2pu8 h ALA 19 N 1.14 1.18 0.38 5.19 0.00 -1.16 -3.06 119.26 122.93 2pu8 h ALA 19 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pu8 h ALA 19 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pu8 h ALA 19 CO 0.04 0.67 -0.18 1.37 0.00 0.00 0.00 179.25 181.15 2pu8 h LEU 20 N 1.28 -0.43 0.00 0.00 -0.00 -1.11 -3.51 115.31 111.54 2pu8 h LEU 20 Ca 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2pu8 h LEU 20 Cb -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2pu8 h LEU 20 CO -0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 178.44 178.33 2pu8 n ALA 21 N -2.53 0.00 0.00 0.17 0.00 -0.59 -5.11 120.51 112.45 2pu8 n ALA 21 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pu8 n ALA 21 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2pu8 n ALA 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2pu8 n LEU 33 N 0.00 0.00 -4.15 0.00 -0.00 -1.26 -5.11 117.00 106.47 2pu8 n LEU 33 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 2pu8 n LEU 33 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2pu8 n LEU 33 CO 0.00 0.00 -0.42 0.42 -0.00 0.00 0.00 177.39 177.39 2pu8 s THR 34 N -2.81 0.89 -0.03 1.47 -4.23 -0.31 -4.98 115.64 105.63 2pu8 s THR 34 Ca 0.00 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 2pu8 s THR 34 Cb 0.00 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.69 2pu8 s THR 34 CO 0.00 -0.46 -0.04 0.00 -0.54 0.00 0.00 174.62 173.58 2pu8 s GLN 36 N 0.61 1.53 -0.09 0.00 1.11 -0.71 -4.95 119.66 117.16 2pu8 s GLN 36 Ca -0.07 -0.34 -0.30 0.00 0.01 0.00 0.00 55.36 54.66 2pu8 s GLN 36 Cb -0.11 -1.33 -0.03 0.00 -1.01 0.00 0.00 33.01 30.54 2pu8 s GLN 36 CO -0.00 -0.02 1.22 -2.00 0.01 0.00 0.00 175.29 174.49 2pu8 s GLU 37 N 0.82 4.32 -0.07 2.91 -6.30 -1.26 -1.64 118.70 117.47 2pu8 s GLU 37 Ca -0.12 1.66 0.10 0.00 -2.50 0.00 0.00 54.97 54.12 2pu8 s GLU 37 Cb -0.15 -3.62 0.16 0.00 0.00 0.00 0.00 34.13 30.52 2pu8 s GLU 37 CO 0.02 -0.52 1.06 0.44 0.02 0.00 0.00 175.26 176.28 2pu8 n ILE 38 N 4.84 1.08 -1.67 -3.70 -5.35 0.24 -4.99 119.36 109.80 2pu8 n ILE 38 Ca 0.12 -1.28 -0.46 0.00 -0.27 0.00 0.00 62.75 60.85 2pu8 n ILE 38 Cb 0.46 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.43 2pu8 n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pu8 n GLY 39 N -0.81 1.19 0.31 3.28 0.00 -1.25 -4.90 105.19 103.02 2pu8 n GLY 39 Ca 0.09 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.69 2pu8 n GLY 39 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pu8 h ASP 40 N 6.60 -0.61 0.00 1.61 5.19 -1.96 -3.46 116.42 123.78 2pu8 h ASP 40 Ca -0.46 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2pu8 h ASP 40 Cb 1.26 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.93 2pu8 h ASP 40 CO 0.90 -0.22 0.00 0.61 -3.12 0.00 0.00 179.24 177.41 2pu8 n GLY 41 N -0.10 -0.87 0.00 2.75 0.00 -1.26 -5.03 105.19 100.69 2pu8 n GLY 41 Ca -0.09 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2pu8 n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pu8 n ASN 42 N 0.00 0.64 0.06 1.61 6.94 -1.26 -4.75 115.26 118.50 2pu8 n ASN 42 Ca 0.00 -0.85 0.12 0.00 -0.02 0.00 0.00 54.58 53.83 2pu8 n ASN 42 Cb 0.00 0.24 0.07 0.00 -2.36 0.00 0.00 39.78 37.73 2pu8 n ASN 42 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2pu8 n LEU 43 N -0.24 0.69 -4.10 -4.53 4.77 -1.26 -4.90 117.00 107.43 2pu8 n LEU 43 Ca 0.00 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 2pu8 n LEU 43 Cb 0.02 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 2pu8 n LEU 43 CO 0.00 -0.05 -0.47 0.20 -1.33 0.00 0.00 177.39 175.74 2pu8 s ASN 44 N -4.40 1.58 0.06 -1.43 0.01 -1.26 -1.32 114.94 108.19 2pu8 s ASN 44 Ca 0.03 -0.27 -0.18 0.00 -0.71 0.00 0.00 52.86 51.74 2pu8 s ASN 44 Cb 0.13 -0.17 -0.06 0.00 0.41 0.00 0.00 41.25 41.56 2pu8 s ASN 44 CO 0.77 0.15 0.53 -0.31 -1.51 0.00 0.00 177.10 176.73 2pu8 s TYR 45 N -0.37 3.79 -0.23 2.20 4.12 0.82 -4.68 117.35 122.99 2pu8 s TYR 45 Ca 0.05 1.21 -0.00 0.00 0.02 0.00 0.00 57.07 58.34 2pu8 s TYR 45 Cb -0.05 -2.45 0.07 0.00 -1.52 0.00 0.00 41.96 38.00 2pu8 s TYR 45 CO -0.00 0.60 -0.01 0.08 0.02 0.00 0.00 175.55 176.24 2pu8 s VAL 46 N -1.11 1.21 -0.35 0.71 1.01 -1.26 -0.78 120.40 119.82 2pu8 s VAL 46 Ca 0.28 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 2pu8 s VAL 46 Cb -0.19 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2pu8 s VAL 46 CO 0.18 -0.21 0.30 -0.36 0.00 0.00 0.00 175.10 175.01 2pu8 s PHE 47 N 1.53 3.22 -0.22 5.22 0.08 0.29 -0.59 117.98 127.51 2pu8 s PHE 47 Ca -0.02 -0.20 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 2pu8 s PHE 47 Cb -0.18 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 2pu8 s PHE 47 CO -0.09 -0.43 0.72 -1.58 -0.10 0.00 0.00 175.22 173.74 2pu8 s HIS 48 N 1.85 3.33 -0.20 0.36 5.65 -0.65 -0.53 115.29 125.09 2pu8 s HIS 48 Ca 0.08 1.01 -0.03 0.00 0.25 0.00 0.00 55.06 56.37 2pu8 s HIS 48 Cb -0.17 -2.92 -0.01 0.00 -1.18 0.00 0.00 32.58 28.30 2pu8 s HIS 48 CO 0.11 -0.30 -0.07 0.42 -0.65 0.00 0.00 174.74 174.25 2pu8 s ILE 49 N 2.41 3.16 -0.13 0.89 1.01 0.05 -1.73 121.20 126.86 2pu8 s ILE 49 Ca 0.31 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2pu8 s ILE 49 Cb -0.16 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 2pu8 s ILE 49 CO 0.09 0.45 -0.19 -0.47 0.00 0.00 0.00 174.94 174.82 2pu8 s TYR 50 N 1.30 2.68 0.31 3.97 6.14 0.02 -1.54 117.35 130.24 2pu8 s TYR 50 Ca 0.04 -1.01 0.08 0.00 0.64 0.00 0.00 57.07 56.81 2pu8 s TYR 50 Cb -0.14 -1.80 -0.03 0.00 0.42 0.00 0.00 41.96 40.41 2pu8 s TYR 50 CO -0.04 -0.42 0.20 0.16 0.64 0.00 0.00 175.55 176.10 2pu8 s ASP 51 N 0.53 5.12 -0.05 4.32 -4.77 -0.63 -1.17 116.67 120.01 2pu8 s ASP 51 Ca -0.12 -0.52 0.23 0.00 -3.30 0.00 0.00 52.55 48.83 2pu8 s ASP 51 Cb -0.17 -1.00 0.43 0.00 -1.09 0.00 0.00 42.92 41.10 2pu8 s ASP 51 CO 0.04 -0.23 1.18 0.00 0.70 0.00 0.00 175.17 176.86 2pu8 n GLN 52 N -1.23 0.42 -0.08 2.11 3.00 -1.26 -4.19 117.38 116.16 2pu8 n GLN 52 Ca -0.04 -2.34 -0.11 0.00 -0.01 0.00 0.00 57.00 54.50 2pu8 n GLN 52 Cb 0.60 -0.41 -0.07 0.00 0.00 0.00 0.00 30.24 30.36 2pu8 n GLN 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2pu8 h GLU 53 N 1.09 0.00 -6.07 -1.09 3.07 -1.97 -3.47 114.58 106.14 2pu8 h GLU 53 Ca -0.18 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.11 2pu8 h GLU 53 Cb 1.70 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.51 2pu8 h GLU 53 CO 0.09 0.53 -0.61 -3.38 -1.40 0.00 0.00 179.01 174.25 2pu8 s HIS 54 N -2.14 2.60 -0.16 4.33 0.00 -1.26 -5.02 115.29 113.65 2pu8 s HIS 54 Ca -0.17 -0.39 0.00 0.00 -3.00 0.00 0.00 55.06 51.50 2pu8 s HIS 54 Cb 0.02 -1.47 0.00 0.00 -4.00 0.00 0.00 32.58 27.13 2pu8 s HIS 54 CO 0.39 0.47 0.77 -0.25 -1.00 0.00 0.00 174.74 175.13 2pu8 n ASP 55 N -0.98 2.25 -4.74 7.38 8.00 -1.26 -4.56 116.55 122.63 2pu8 n ASP 55 Ca -0.04 -1.68 -0.33 0.00 0.71 0.00 0.00 54.79 53.46 2pu8 n ASP 55 Cb 0.61 -0.42 0.09 0.00 -0.02 0.00 0.00 41.12 41.38 2pu8 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pu8 s ARG 56 N -0.02 2.25 0.24 -1.24 1.70 -1.26 -4.81 118.95 115.82 2pu8 s ARG 56 Ca 0.00 1.45 -0.09 0.00 -0.47 0.00 0.00 55.73 56.61 2pu8 s ARG 56 Cb 0.00 -1.88 -0.01 0.00 -0.57 0.00 0.00 34.95 32.49 2pu8 s ARG 56 CO 0.00 -1.69 0.40 0.00 -1.08 0.00 0.00 175.30 172.93 2pu8 s ALA 57 N -2.44 0.15 -0.11 7.88 0.00 -1.26 -1.61 121.76 124.37 2pu8 s ALA 57 Ca 0.67 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 2pu8 s ALA 57 Cb -0.22 1.15 0.09 0.00 0.00 0.00 0.00 23.12 24.13 2pu8 s ALA 57 CO 0.48 -0.79 0.77 -1.17 0.00 0.00 0.00 175.76 175.06 2pu8 s LEU 58 N -3.07 -0.59 -0.14 0.00 2.96 -0.59 -4.51 118.68 112.74 2pu8 s LEU 58 Ca 0.27 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 2pu8 s LEU 58 Cb 0.01 2.35 -0.00 0.00 0.50 0.00 0.00 46.19 49.05 2pu8 s LEU 58 CO 0.10 -0.49 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.85 2pu8 s ILE 59 N -0.96 2.64 -0.35 6.68 -1.09 -0.44 -0.77 121.20 126.91 2pu8 s ILE 59 Ca -0.07 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.50 2pu8 s ILE 59 Cb -0.01 -2.09 0.05 0.00 -1.58 0.00 0.00 42.46 38.83 2pu8 s ILE 59 CO 0.07 0.53 0.11 -0.63 -1.23 0.00 0.00 174.94 173.78 2pu8 s ILE 60 N 0.60 3.61 -0.05 2.92 1.01 0.31 -0.57 121.20 129.03 2pu8 s ILE 60 Ca -0.09 -1.31 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 2pu8 s ILE 60 Cb -0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 2pu8 s ILE 60 CO 0.03 -0.25 0.38 -0.75 0.00 0.00 0.00 174.94 174.35 2pu8 s LYS 61 N 1.35 3.97 -0.01 2.79 2.20 -0.07 -0.54 119.74 129.42 2pu8 s LYS 61 Ca -0.01 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2pu8 s LYS 61 Cb -0.20 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 2pu8 s LYS 61 CO 0.01 0.57 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.43 2pu8 s GLN 62 N -0.66 0.17 0.13 4.03 0.74 0.04 -0.96 119.66 123.16 2pu8 s GLN 62 Ca 0.22 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 2pu8 s GLN 62 Cb -0.16 -0.28 -0.07 0.00 1.10 0.00 0.00 33.01 33.60 2pu8 s GLN 62 CO 0.11 -0.05 1.18 0.00 -0.55 0.00 0.00 175.29 175.97 2pu8 s ALA 63 N 0.51 3.40 -0.18 1.58 0.00 -0.85 -0.12 121.76 126.09 2pu8 s ALA 63 Ca -0.05 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 2pu8 s ALA 63 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2pu8 s ALA 63 CO -0.01 -0.36 0.06 0.54 0.00 0.00 0.00 175.76 175.99 2pu8 s VAL 64 N 0.38 4.75 -0.12 0.00 0.11 -0.43 -4.89 120.40 120.20 2pu8 s VAL 64 Ca 0.55 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 59.29 2pu8 s VAL 64 Cb -0.30 -3.14 -0.23 0.00 -1.53 0.00 0.00 36.38 31.18 2pu8 s VAL 64 CO 0.33 0.46 0.78 1.55 -3.33 0.00 0.00 175.10 174.89 2pu8 h PRO 65 N 6.74 -0.01 -0.34 1.54 0.13 -1.86 -3.46 132.00 134.74 2pu8 h PRO 65 Ca -0.37 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.79 2pu8 h PRO 65 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2pu8 h PRO 65 CO 0.70 0.81 -0.20 2.48 -0.23 0.00 0.00 178.00 181.56 2pu8 n TYR 66 N -4.67 -0.15 0.00 1.56 -0.00 -1.26 -4.69 117.16 107.95 2pu8 n TYR 66 Ca -0.09 0.43 0.00 0.00 -0.00 0.00 0.00 57.90 58.24 2pu8 n TYR 66 Cb 0.40 -0.47 0.00 0.00 -0.00 0.00 0.00 39.34 39.27 2pu8 n TYR 66 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 2pu8 n SER 73 N -4.09 0.00 -4.68 9.48 3.41 -1.26 -5.03 113.62 111.45 2pu8 n SER 73 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2pu8 n SER 73 Cb 0.09 0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2pu8 n SER 73 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2pu8 s TRP 74 N -3.12 3.02 -0.09 7.33 -0.11 -1.26 -4.99 118.94 119.73 2pu8 s TRP 74 Ca 0.00 1.06 -0.30 0.00 1.22 0.00 0.00 56.10 58.09 2pu8 s TRP 74 Cb 0.00 -3.50 -0.04 0.00 -1.50 0.00 0.00 33.47 28.42 2pu8 s TRP 74 CO 0.00 -1.71 1.50 -1.25 -4.62 0.00 0.00 176.95 170.88 2pu8 s PRO 75 N 2.51 4.21 -0.00 5.86 0.04 -1.26 -4.98 135.00 141.38 2pu8 s PRO 75 Ca 0.58 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2pu8 s PRO 75 Cb -0.26 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2pu8 s PRO 75 CO 0.22 -0.78 -0.00 -0.51 0.04 0.00 0.00 177.00 175.97 2pu8 s LEU 76 N 3.71 1.90 0.85 -3.56 1.43 -1.26 -5.12 118.68 116.63 2pu8 s LEU 76 Ca 0.66 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 2pu8 s LEU 76 Cb -0.29 -0.03 0.10 0.00 0.03 0.00 0.00 46.19 46.00 2pu8 s LEU 76 CO 0.24 -0.01 1.11 0.42 0.23 0.00 0.00 176.35 178.34 2pu8 s THR 77 N 0.11 2.68 -2.31 5.49 -4.23 -1.26 -4.77 115.64 111.35 2pu8 s THR 77 Ca -0.01 0.22 0.24 0.00 -1.18 0.00 0.00 61.69 60.96 2pu8 s THR 77 Cb -0.02 -2.91 0.54 0.00 1.34 0.00 0.00 72.50 71.45 2pu8 s THR 77 CO -0.00 -0.29 1.70 2.30 -0.54 0.00 0.00 174.62 177.79 2pu8 n ILE 78 N -3.63 0.09 0.26 2.99 -5.35 -1.26 -3.94 119.36 108.52 2pu8 n ILE 78 Ca 0.07 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.42 2pu8 n ILE 78 Cb 0.57 0.27 0.72 0.00 -1.74 0.00 0.00 39.64 39.46 2pu8 n ILE 78 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2pu8 h ASP 79 N 1.83 0.00 -0.52 7.28 3.58 -1.91 -2.43 116.42 124.26 2pu8 h ASP 79 Ca 0.00 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.60 2pu8 h ASP 79 Cb 0.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2pu8 h ASP 79 CO 0.00 0.12 0.41 0.08 -2.88 0.00 0.00 179.24 176.96 2pu8 h ARG 80 N 0.00 0.00 -0.77 0.28 0.11 -1.91 -0.30 114.38 111.79 2pu8 h ARG 80 Ca -0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2pu8 h ARG 80 Cb 0.31 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 2pu8 h ARG 80 CO 0.02 0.00 0.27 0.00 0.10 0.00 0.00 179.97 180.35 2pu8 h ALA 81 N 1.68 1.02 -0.34 0.08 0.00 -1.75 0.11 119.26 120.06 2pu8 h ALA 81 Ca 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pu8 h ALA 81 Cb 1.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2pu8 h ALA 81 CO -0.00 0.67 0.12 -0.09 0.00 0.00 0.00 179.25 179.95 2pu8 h ARG 82 N 1.13 0.51 -0.16 0.00 2.43 -1.24 -2.16 114.38 114.89 2pu8 h ARG 82 Ca 0.25 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2pu8 h ARG 82 Cb 0.27 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2pu8 h ARG 82 CO -0.01 0.52 0.03 0.82 -1.51 0.00 0.00 179.97 179.82 2pu8 h ILE 83 N 0.39 0.93 0.09 1.20 1.08 -1.16 -2.28 117.51 117.77 2pu8 h ILE 83 Ca 0.11 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2pu8 h ILE 83 Cb 0.21 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2pu8 h ILE 83 CO -0.01 0.02 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.34 2pu8 h GLU 84 N 0.10 -0.12 -0.38 2.37 4.81 -0.74 0.98 114.58 121.60 2pu8 h GLU 84 Ca 0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2pu8 h GLU 84 Cb 0.07 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2pu8 h GLU 84 CO -0.10 -0.07 0.16 0.66 -0.73 0.00 0.00 179.01 178.94 2pu8 h SER 85 N -0.14 0.51 -0.62 1.04 4.64 -1.41 -0.71 113.55 116.85 2pu8 h SER 85 Ca -0.01 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2pu8 h SER 85 Cb 0.11 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 2pu8 h SER 85 CO 0.02 0.53 0.36 0.28 -0.87 0.00 0.00 176.83 177.15 2pu8 h SER 86 N 0.46 0.57 -0.36 4.97 0.02 -1.31 -0.95 113.55 116.94 2pu8 h SER 86 Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2pu8 h SER 86 Cb 0.17 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2pu8 h SER 86 CO -0.01 0.39 0.13 0.00 -1.14 0.00 0.00 176.83 176.19 2pu8 h ALA 87 N 1.29 0.47 -0.78 3.77 0.00 -0.62 -1.32 119.26 122.08 2pu8 h ALA 87 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2pu8 h ALA 87 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2pu8 h ALA 87 CO -0.13 0.09 0.51 -0.07 0.00 0.00 0.00 179.25 179.65 2pu8 h LEU 88 N 0.44 0.90 -0.50 0.00 3.38 -0.90 0.30 115.31 118.93 2pu8 h LEU 88 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pu8 h LEU 88 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pu8 h LEU 88 CO -0.01 0.66 0.15 0.40 0.09 0.00 0.00 178.44 179.73 2pu8 h ILE 89 N 1.06 1.23 -0.26 1.22 2.04 -1.05 -0.72 117.51 121.03 2pu8 h ILE 89 Ca 0.29 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2pu8 h ILE 89 Cb -0.12 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2pu8 h ILE 89 CO -0.06 0.28 0.13 0.03 0.00 0.00 0.00 178.15 178.53 2pu8 h ARG 90 N 0.67 0.37 -0.69 2.37 3.08 -0.89 -2.79 114.38 116.50 2pu8 h ARG 90 Ca 0.16 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.20 2pu8 h ARG 90 Cb 0.28 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2pu8 h ARG 90 CO -0.00 0.36 0.41 1.96 -1.07 0.00 0.00 179.97 181.63 2pu8 h GLN 91 N 0.29 0.76 0.00 0.04 4.20 -0.89 -2.68 115.11 116.83 2pu8 h GLN 91 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2pu8 h GLN 91 Cb 0.11 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2pu8 h GLN 91 CO -0.01 0.50 -0.01 0.78 -0.67 0.00 0.00 178.83 179.42 2pu8 h GLY 92 N 0.78 0.00 1.72 3.46 0.00 -0.92 -0.16 103.07 107.95 2pu8 h GLY 92 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 2pu8 h GLY 92 CO -0.15 0.00 -0.15 1.05 0.00 0.00 0.00 176.54 177.29 2pu8 h GLU 93 N 0.00 0.34 0.00 4.80 9.09 -1.21 -3.07 114.58 124.52 2pu8 h GLU 93 Ca -0.00 -0.09 -0.23 0.00 0.05 0.00 0.00 59.36 59.09 2pu8 h GLU 93 Cb 0.10 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.12 2pu8 h GLU 93 CO 0.00 0.49 -1.88 0.72 0.05 0.00 0.00 179.01 178.39 2pu8 n HIS 94 N -4.22 0.00 -3.13 2.06 8.25 -0.76 -4.77 115.22 112.64 2pu8 n HIS 94 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 2pu8 n HIS 94 Cb 0.31 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.77 2pu8 n HIS 94 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2pu8 n VAL 95 N -2.85 1.63 0.31 1.59 0.24 -0.15 -4.95 118.33 114.15 2pu8 n VAL 95 Ca -0.26 -5.06 0.18 0.00 -2.04 0.00 0.00 64.34 57.16 2pu8 n VAL 95 Cb 0.82 -1.32 0.98 0.00 -1.47 0.00 0.00 33.84 32.85 2pu8 n VAL 95 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2pu8 h PRO 96 N 3.36 0.00 -0.00 7.34 0.13 -1.73 -1.10 132.00 140.00 2pu8 h PRO 96 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2pu8 h PRO 96 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2pu8 h PRO 96 CO 0.70 0.03 -0.06 -2.39 -0.23 0.00 0.00 178.00 176.04 2pu8 n HIS 97 N -3.39 0.00 -0.01 1.56 1.44 -1.26 -3.94 115.22 109.62 2pu8 n HIS 97 Ca -0.02 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.70 2pu8 n HIS 97 Cb 0.14 -0.24 0.04 0.00 0.12 0.00 0.00 29.99 30.05 2pu8 n HIS 97 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2pu8 n LEU 98 N -1.14 2.09 -3.92 2.39 4.77 -0.42 -4.81 117.00 115.96 2pu8 n LEU 98 Ca 0.14 -1.80 -0.10 0.00 -0.03 0.00 0.00 56.01 54.22 2pu8 n LEU 98 Cb 0.26 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2pu8 n LEU 98 CO 0.24 0.51 -0.24 0.68 -1.33 0.00 0.00 177.39 177.25 2pu8 s VAL 99 N -0.86 0.10 0.50 4.08 -7.23 -1.23 0.34 120.40 116.09 2pu8 s VAL 99 Ca 0.07 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.19 2pu8 s VAL 99 Cb 0.04 -0.43 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 2pu8 s VAL 99 CO 0.05 -0.45 1.28 -2.16 -0.31 0.00 0.00 175.10 173.51 2pu8 s PRO 100 N -1.56 3.44 0.30 4.82 0.04 -1.26 -4.93 135.00 135.86 2pu8 s PRO 100 Ca -0.14 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2pu8 s PRO 100 Cb -0.08 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 2pu8 s PRO 100 CO -0.00 -0.89 1.16 -0.98 0.04 0.00 0.00 177.00 176.33 2pu8 s ARG 101 N -2.77 4.52 -0.20 4.56 3.03 -1.26 -4.85 118.95 121.98 2pu8 s ARG 101 Ca 0.67 1.91 -0.06 0.00 2.03 0.00 0.00 55.73 60.29 2pu8 s ARG 101 Cb -0.36 -3.12 -0.03 0.00 -1.03 0.00 0.00 34.95 30.41 2pu8 s ARG 101 CO 0.43 0.07 0.03 0.08 -1.13 0.00 0.00 175.30 174.78 2pu8 s VAL 102 N -1.18 4.23 -0.14 4.99 1.01 -1.26 -0.43 120.40 127.62 2pu8 s VAL 102 Ca 0.47 -0.22 0.19 0.00 0.00 0.00 0.00 61.98 62.41 2pu8 s VAL 102 Cb -0.34 -2.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.87 2pu8 s VAL 102 CO 0.44 0.42 0.33 0.49 0.00 0.00 0.00 175.10 176.78 2pu8 n PHE 103 N 4.14 0.20 -3.62 5.22 3.01 0.43 -4.99 117.46 121.86 2pu8 n PHE 103 Ca -0.17 0.07 -0.09 0.00 1.01 0.00 0.00 57.45 58.27 2pu8 n PHE 103 Cb 0.52 -0.89 -0.06 0.00 -0.01 0.00 0.00 39.48 39.04 2pu8 n PHE 103 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2pu8 s TYR 104 N -2.84 -0.41 0.00 1.38 6.14 -1.14 -5.01 117.35 115.47 2pu8 s TYR 104 Ca -0.08 0.91 -0.06 0.00 0.64 0.00 0.00 57.07 58.48 2pu8 s TYR 104 Cb 0.09 0.40 -0.00 0.00 0.42 0.00 0.00 41.96 42.87 2pu8 s TYR 104 CO 0.85 -0.25 0.11 -1.54 0.64 0.00 0.00 175.55 175.35 2pu8 s SER 105 N -0.25 0.05 -0.11 4.32 1.04 -1.26 0.31 113.70 117.79 2pu8 s SER 105 Ca 0.02 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.21 2pu8 s SER 105 Cb -0.03 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.33 2pu8 s SER 105 CO -0.04 -0.32 0.07 -0.62 0.98 0.00 0.00 173.24 173.31 2pu8 s ASP 106 N -1.24 1.82 0.09 7.02 3.68 -0.36 -5.01 116.67 122.67 2pu8 s ASP 106 Ca -0.13 -0.30 -0.21 0.00 2.13 0.00 0.00 52.55 54.04 2pu8 s ASP 106 Cb -0.07 -0.22 -0.10 0.00 -1.45 0.00 0.00 42.92 41.07 2pu8 s ASP 106 CO 0.01 -0.30 1.65 0.74 0.13 0.00 0.00 175.17 177.41 2pu8 h THR 107 N 6.43 1.13 -0.13 1.71 2.02 -1.96 0.27 112.91 122.37 2pu8 h THR 107 Ca -0.14 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.51 2pu8 h THR 107 Cb 1.13 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2pu8 h THR 107 CO 0.23 0.12 -0.60 -0.33 0.37 0.00 0.00 175.52 175.31 2pu8 h GLU 108 N 0.11 0.45 0.00 6.66 5.08 -1.97 -2.06 114.58 122.85 2pu8 h GLU 108 Ca 0.05 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2pu8 h GLU 108 Cb 0.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pu8 h GLU 108 CO -0.01 0.91 0.00 -1.33 -1.00 0.00 0.00 179.01 177.59 2pu8 n MET 109 N -3.92 0.02 -3.83 2.33 2.81 -1.21 -4.01 117.12 109.31 2pu8 n MET 109 Ca -0.03 0.06 -0.28 0.00 -1.81 0.00 0.00 57.70 55.64 2pu8 n MET 109 Cb 0.63 -1.52 0.04 0.00 -0.71 0.00 0.00 33.22 31.65 2pu8 n MET 109 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pu8 n ALA 110 N -1.52 -1.37 -2.62 3.04 0.00 -0.04 -4.71 120.51 113.29 2pu8 n ALA 110 Ca 0.06 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2pu8 n ALA 110 Cb 0.32 -4.42 -0.12 0.00 0.00 0.00 0.00 19.45 15.22 2pu8 n ALA 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pu8 s VAL 111 N -3.34 3.42 -0.12 0.00 1.01 -0.49 -2.01 120.40 118.87 2pu8 s VAL 111 Ca 0.58 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pu8 s VAL 111 Cb -0.28 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2pu8 s VAL 111 CO 0.81 0.58 -0.08 -0.89 0.00 0.00 0.00 175.10 175.52 2pu8 s THR 112 N -0.58 1.09 -0.22 3.92 2.01 -0.14 -1.22 115.64 120.50 2pu8 s THR 112 Ca 0.08 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 2pu8 s THR 112 Cb -0.12 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2pu8 s THR 112 CO 0.02 0.37 0.39 -0.69 -0.69 0.00 0.00 174.62 174.02 2pu8 s VAL 113 N 1.68 5.19 0.21 3.82 1.01 0.15 -0.90 120.40 131.57 2pu8 s VAL 113 Ca 0.05 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2pu8 s VAL 113 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2pu8 s VAL 113 CO -0.08 0.22 0.26 0.00 0.00 0.00 0.00 175.10 175.50 2pu8 s MET 114 N 1.53 1.31 0.27 2.72 0.23 0.27 -0.43 119.30 125.20 2pu8 s MET 114 Ca 0.18 -1.46 -0.30 0.00 -1.03 0.00 0.00 55.69 53.08 2pu8 s MET 114 Cb -0.15 0.35 -0.13 0.00 -1.53 0.00 0.00 34.83 33.36 2pu8 s MET 114 CO 0.08 -0.48 1.25 -1.91 -2.03 0.00 0.00 175.02 171.94 2pu8 n GLU 115 N -0.30 1.80 -2.66 3.16 2.13 0.42 -1.32 120.64 123.87 2pu8 n GLU 115 Ca -0.00 0.64 -0.42 0.00 0.66 0.00 0.00 57.16 58.03 2pu8 n GLU 115 Cb 0.64 -2.19 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 2pu8 n GLU 115 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2pu8 s ASP 116 N -0.12 7.24 -0.19 4.31 3.68 -1.26 -4.59 116.67 125.74 2pu8 s ASP 116 Ca 0.63 1.59 0.13 0.00 2.13 0.00 0.00 52.55 57.03 2pu8 s ASP 116 Cb -0.66 -2.56 0.39 0.00 -1.45 0.00 0.00 42.92 38.64 2pu8 s ASP 116 CO 0.56 -0.44 1.21 0.18 0.13 0.00 0.00 175.17 176.81 2pu8 n LEU 117 N 4.86 2.67 0.28 -1.34 4.77 -1.26 -4.80 117.00 122.17 2pu8 n LEU 117 Ca 0.09 -3.69 0.12 0.00 -0.03 0.00 0.00 56.01 52.50 2pu8 n LEU 117 Cb 0.49 -0.51 0.81 0.00 -2.33 0.00 0.00 43.42 41.88 2pu8 n LEU 117 CO 0.52 1.22 1.09 0.28 -1.33 0.00 0.00 177.39 179.18 2pu8 h SER 118 N 0.75 0.00 0.67 -1.43 0.02 -2.02 -1.66 113.55 109.87 2pu8 h SER 118 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2pu8 h SER 118 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2pu8 h SER 118 CO 0.01 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 2pu8 n HIS 119 N -4.06 0.30 -3.01 3.45 1.44 -1.26 -4.77 115.22 107.31 2pu8 n HIS 119 Ca -0.03 0.11 -0.19 0.00 -2.01 0.00 0.00 57.72 55.61 2pu8 n HIS 119 Cb 0.10 -0.68 0.04 0.00 0.12 0.00 0.00 29.99 29.57 2pu8 n HIS 119 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2pu8 s LEU 120 N -3.53 3.33 -0.02 2.39 1.43 -0.63 -4.99 118.68 116.66 2pu8 s LEU 120 Ca 0.07 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2pu8 s LEU 120 Cb 0.10 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2pu8 s LEU 120 CO 0.35 -1.11 -0.19 -0.75 0.23 0.00 0.00 176.35 174.88 2pu8 s LYS 121 N -4.55 1.59 0.10 1.70 2.20 -0.55 -4.88 119.74 115.35 2pu8 s LYS 121 Ca 0.59 -0.68 -0.34 0.00 -0.36 0.00 0.00 55.97 55.18 2pu8 s LYS 121 Cb -0.08 -1.51 -0.13 0.00 -1.51 0.00 0.00 37.83 34.60 2pu8 s LYS 121 CO 0.37 0.39 1.65 -0.89 -0.36 0.00 0.00 175.35 176.51 2pu8 n ILE 122 N 2.67 0.14 -0.32 5.43 2.08 -1.26 0.33 119.36 128.43 2pu8 n ILE 122 Ca -0.15 -0.03 -0.00 0.00 0.56 0.00 0.00 62.75 63.13 2pu8 n ILE 122 Cb 0.53 -1.62 0.13 0.00 -0.75 0.00 0.00 39.64 37.93 2pu8 n ILE 122 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pu8 h ALA 123 N 6.72 1.19 -0.30 -1.39 0.00 -0.84 -1.54 119.26 123.10 2pu8 h ALA 123 Ca -0.46 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2pu8 h ALA 123 Cb 1.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2pu8 h ALA 123 CO 0.90 0.39 0.08 -0.09 0.00 0.00 0.00 179.25 180.53 2pu8 h ARG 124 N 1.08 0.20 -0.07 0.00 2.43 -1.57 0.34 114.38 116.78 2pu8 h ARG 124 Ca 0.36 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 2pu8 h ARG 124 Cb 0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2pu8 h ARG 124 CO -0.13 0.13 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.22 2pu8 h LYS 125 N 0.20 -0.00 -0.87 0.20 3.64 -1.73 -2.07 116.57 115.94 2pu8 h LYS 125 Ca 0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2pu8 h LYS 125 Cb 0.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2pu8 h LYS 125 CO -0.16 -0.00 0.54 0.78 -2.27 0.00 0.00 179.45 178.34 2pu8 h GLY 126 N -0.00 1.25 1.04 5.01 0.00 -1.02 -2.04 103.07 107.31 2pu8 h GLY 126 Ca 0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2pu8 h GLY 126 CO -0.08 0.49 0.18 1.41 0.00 0.00 0.00 176.54 178.54 2pu8 h LEU 127 N 1.19 0.99 -1.18 3.11 3.38 -0.71 -0.31 115.31 121.78 2pu8 h LEU 127 Ca 0.31 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2pu8 h LEU 127 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2pu8 h LEU 127 CO -0.06 0.95 -0.11 0.40 0.09 0.00 0.00 178.44 179.71 2pu8 h ILE 128 N 0.97 1.22 0.00 1.22 2.04 -1.18 -1.24 117.51 120.55 2pu8 h ILE 128 Ca 0.21 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2pu8 h ILE 128 Cb 0.34 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2pu8 h ILE 128 CO -0.00 0.31 0.00 -0.62 0.00 0.00 0.00 178.15 177.83 2pu8 n GLU 129 N -4.23 0.13 0.00 2.37 1.02 -0.78 -4.91 120.64 114.24 2pu8 n GLU 129 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2pu8 n GLU 129 Cb 0.30 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2pu8 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pu8 n GLY 130 N 0.28 0.71 3.77 0.62 0.00 -0.47 -5.08 105.19 105.03 2pu8 n GLY 130 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2pu8 n GLY 130 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pu8 s GLU 131 N -0.92 4.12 -0.01 1.61 0.41 -0.19 -4.95 118.70 118.77 2pu8 s GLU 131 Ca 0.00 2.56 0.19 0.00 -0.41 0.00 0.00 54.97 57.31 2pu8 s GLU 131 Cb 0.00 -2.98 -0.26 0.00 -1.78 0.00 0.00 34.13 29.11 2pu8 s GLU 131 CO 0.00 -0.54 0.59 0.09 -0.49 0.00 0.00 175.26 174.91 2pu8 n ASN 132 N 0.75 0.71 -3.48 -0.19 3.02 -1.26 -4.25 115.26 110.56 2pu8 n ASN 132 Ca 0.02 -0.41 -0.34 0.00 -0.03 0.00 0.00 54.58 53.82 2pu8 n ASN 132 Cb 0.39 1.50 0.03 0.00 -0.61 0.00 0.00 39.78 41.09 2pu8 n ASN 132 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2pu8 n TYR 133 N -1.85 -2.37 0.14 3.10 4.01 -1.26 -4.80 117.16 114.12 2pu8 n TYR 133 Ca -0.00 0.99 0.18 0.00 -0.16 0.00 0.00 57.90 58.91 2pu8 n TYR 133 Cb 0.41 -1.90 0.77 0.00 -0.31 0.00 0.00 39.34 38.32 2pu8 n TYR 133 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pu8 h PRO 134 N 1.39 0.00 -0.13 -0.72 0.13 -1.91 -1.52 132.00 129.25 2pu8 h PRO 134 Ca -0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2pu8 h PRO 134 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2pu8 h PRO 134 CO 0.25 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.74 2pu8 n HIS 135 N -3.91 0.14 -0.19 1.56 8.25 -1.26 -4.62 115.22 115.19 2pu8 n HIS 135 Ca 0.04 -0.08 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2pu8 n HIS 135 Cb 0.45 -0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.66 2pu8 n HIS 135 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2pu8 h LEU 136 N 4.34 0.03 -0.09 2.41 5.85 -1.60 -1.31 115.31 124.95 2pu8 h LEU 136 Ca 0.00 0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.57 2pu8 h LEU 136 Cb 0.94 0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.11 2pu8 h LEU 136 CO 0.00 0.03 -0.98 0.77 -0.34 0.00 0.00 178.44 177.92 2pu8 h SER 137 N 0.27 0.76 -0.49 1.25 4.64 -1.82 -0.18 113.55 117.99 2pu8 h SER 137 Ca 0.30 -0.60 0.07 0.00 -0.47 0.00 0.00 61.79 61.09 2pu8 h SER 137 Cb 0.42 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 2pu8 h SER 137 CO -0.37 1.40 0.15 -0.61 -0.87 0.00 0.00 176.83 176.52 2pu8 h GLN 138 N 0.34 0.29 -0.09 4.77 4.15 -1.78 0.25 115.11 123.04 2pu8 h GLN 138 Ca -0.10 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 2pu8 h GLN 138 Cb 1.63 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.25 2pu8 h GLN 138 CO 0.18 0.19 -0.15 0.45 -1.93 0.00 0.00 178.83 177.58 2pu8 h HIS 139 N 0.30 0.33 -0.43 3.99 3.86 -1.14 -2.40 115.15 119.67 2pu8 h HIS 139 Ca 0.24 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2pu8 h HIS 139 Cb 0.28 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2pu8 h HIS 139 CO -0.19 0.75 0.14 0.82 0.86 0.00 0.00 177.93 180.31 2pu8 h ILE 140 N -0.18 1.22 -0.58 2.45 1.08 -0.96 -0.71 117.51 119.83 2pu8 h ILE 140 Ca 0.01 -0.71 0.12 0.00 -0.39 0.00 0.00 64.86 63.88 2pu8 h ILE 140 Cb 0.72 0.87 -0.09 0.00 -3.07 0.00 0.00 36.82 35.25 2pu8 h ILE 140 CO 0.03 0.26 0.07 1.23 -0.69 0.00 0.00 178.15 179.05 2pu8 h GLY 141 N 0.55 0.69 0.83 5.37 0.00 -0.54 0.16 103.07 110.13 2pu8 h GLY 141 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2pu8 h GLY 141 CO -0.01 -0.15 0.01 -2.09 0.00 0.00 0.00 176.54 174.31 2pu8 h GLU 142 N 0.19 0.03 -0.57 4.80 4.81 -1.13 0.05 114.58 122.76 2pu8 h GLU 142 Ca 0.31 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 2pu8 h GLU 142 Cb 0.47 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 2pu8 h GLU 142 CO -0.44 0.20 -0.40 0.35 -0.73 0.00 0.00 179.01 177.99 2pu8 h PHE 143 N -0.14 -1.15 -0.19 0.92 3.04 -0.76 -1.52 116.94 117.14 2pu8 h PHE 143 Ca 0.01 0.08 0.03 0.00 3.98 0.00 0.00 57.97 62.06 2pu8 h PHE 143 Cb 0.18 0.59 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 2pu8 h PHE 143 CO -0.01 -0.41 0.02 -0.07 -2.02 0.00 0.00 178.31 175.82 2pu8 h LEU 144 N -0.21 -0.03 -0.60 0.59 3.38 -0.42 0.49 115.31 118.51 2pu8 h LEU 144 Ca 0.19 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2pu8 h LEU 144 Cb 0.56 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2pu8 h LEU 144 CO -0.68 0.01 0.02 1.23 0.09 0.00 0.00 178.44 179.12 2pu8 h GLY 145 N 0.09 1.13 0.58 0.83 0.00 -0.78 -1.87 103.07 103.05 2pu8 h GLY 145 Ca 0.09 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 2pu8 h GLY 145 CO -0.13 0.75 -0.61 0.50 0.00 0.00 0.00 176.54 177.04 2pu8 h LYS 146 N 0.95 0.26 -0.44 4.80 1.57 -1.20 -2.53 116.57 119.98 2pu8 h LYS 146 Ca 0.17 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2pu8 h LYS 146 Cb 0.53 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2pu8 h LYS 146 CO 0.03 1.16 0.17 1.79 -0.57 0.00 0.00 179.45 182.03 2pu8 h THR 147 N -0.44 1.21 -0.27 -0.16 1.35 -0.94 -1.94 112.91 111.73 2pu8 h THR 147 Ca -0.10 -0.65 -0.13 0.00 -0.55 0.00 0.00 66.41 64.98 2pu8 h THR 147 Cb 1.45 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2pu8 h THR 147 CO 0.12 0.24 -0.34 -0.07 -0.25 0.00 0.00 175.52 175.22 2pu8 h LEU 148 N 0.57 0.76 -0.25 3.87 3.38 -1.47 -3.22 115.31 118.95 2pu8 h LEU 148 Ca 0.15 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2pu8 h LEU 148 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pu8 h LEU 148 CO -0.01 1.10 0.03 0.15 0.09 0.00 0.00 178.44 179.80 2pu8 h PHE 149 N 0.43 0.45 0.00 1.13 3.57 -1.44 -3.34 116.94 117.74 2pu8 h PHE 149 Ca 0.03 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2pu8 h PHE 149 Cb 0.92 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2pu8 h PHE 149 CO 0.08 0.55 0.00 0.66 -2.23 0.00 0.00 178.31 177.37 2pu8 n TYR 150 N -4.67 0.00 -0.12 0.41 4.01 -0.73 -2.34 117.16 113.72 2pu8 n TYR 150 Ca -0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.75 2pu8 n TYR 150 Cb 0.21 -0.19 0.12 0.00 -0.31 0.00 0.00 39.34 39.17 2pu8 n TYR 150 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2pu8 n SER 151 N -1.19 2.68 -4.87 7.72 7.64 -1.22 -4.70 113.62 119.68 2pu8 n SER 151 Ca 0.18 -1.97 -0.22 0.00 1.01 0.00 0.00 58.87 57.87 2pu8 n SER 151 Cb 0.20 -0.17 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 2pu8 n SER 151 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2pu8 s SER 152 N -0.99 4.91 0.45 6.43 1.04 -0.99 -3.98 113.70 120.57 2pu8 s SER 152 Ca 0.18 -0.29 0.31 0.00 0.48 0.00 0.00 55.95 56.63 2pu8 s SER 152 Cb 0.09 -0.36 1.38 0.00 0.10 0.00 0.00 66.02 67.23 2pu8 s SER 152 CO 0.12 -1.43 1.92 0.44 0.98 0.00 0.00 173.24 175.27 2pu8 h ASP 153 N -0.12 0.00 0.02 7.02 3.32 -1.82 -1.63 116.42 123.21 2pu8 h ASP 153 Ca -0.38 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.55 2pu8 h ASP 153 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2pu8 h ASP 153 CO 0.45 0.00 -0.37 1.88 -1.72 0.00 0.00 179.24 179.49 2pu8 h TYR 154 N 0.00 0.55 0.00 4.55 0.05 -1.91 -3.31 116.97 116.89 2pu8 h TYR 154 Ca 0.00 -0.15 -0.24 0.00 0.05 0.00 0.00 58.73 58.40 2pu8 h TYR 154 Cb 0.34 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 2pu8 h TYR 154 CO 0.00 0.77 -2.21 0.00 -1.05 0.00 0.00 178.16 175.67 2pu8 n ALA 155 N -2.49 1.95 -2.53 3.88 0.00 -1.09 -1.39 120.51 118.83 2pu8 n ALA 155 Ca -0.01 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.11 2pu8 n ALA 155 Cb 0.48 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 2pu8 n ALA 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pu8 s LEU 156 N -5.11 2.87 0.30 0.00 1.43 -0.63 -4.74 118.68 112.80 2pu8 s LEU 156 Ca -0.09 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 2pu8 s LEU 156 Cb 0.08 -1.69 -0.12 0.00 0.03 0.00 0.00 46.19 44.49 2pu8 s LEU 156 CO 0.83 0.18 1.51 -0.62 0.23 0.00 0.00 176.35 178.48 2pu8 n GLU 157 N 0.76 2.52 -0.13 1.70 1.02 -1.26 -4.63 120.64 120.63 2pu8 n GLU 157 Ca -0.14 0.89 0.09 0.00 -0.02 0.00 0.00 57.16 57.98 2pu8 n GLU 157 Cb 0.52 -2.63 0.42 0.00 -0.02 0.00 0.00 31.44 29.74 2pu8 n GLU 157 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2pu8 h PRO 158 N 4.13 0.58 -0.60 3.49 0.11 -1.95 -1.53 132.00 136.22 2pu8 h PRO 158 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2pu8 h PRO 158 Cb 1.24 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2pu8 h PRO 158 CO 0.74 0.38 0.13 0.87 -0.21 0.00 0.00 178.00 179.91 2pu8 h LYS 159 N 0.59 0.95 -0.25 1.05 1.57 -1.99 -0.62 116.57 117.86 2pu8 h LYS 159 Ca 0.29 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2pu8 h LYS 159 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2pu8 h LYS 159 CO -0.09 0.85 -0.08 0.28 -0.57 0.00 0.00 179.45 179.84 2pu8 h VAL 160 N 0.90 1.29 -0.68 0.50 2.07 -1.72 -3.05 116.25 115.56 2pu8 h VAL 160 Ca 0.19 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 2pu8 h VAL 160 Cb 0.34 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2pu8 h VAL 160 CO 0.00 0.35 0.21 0.50 0.02 0.00 0.00 177.57 178.65 2pu8 h LYS 161 N 0.24 1.05 -0.55 1.57 3.11 -1.12 -2.39 116.57 118.49 2pu8 h LYS 161 Ca 0.06 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 2pu8 h LYS 161 Cb 0.56 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 2pu8 h LYS 161 CO 0.03 0.91 0.36 0.87 -2.81 0.00 0.00 179.45 178.80 2pu8 h LYS 162 N 1.01 0.72 -0.21 1.90 1.57 -1.11 -0.61 116.57 119.85 2pu8 h LYS 162 Ca 0.22 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 2pu8 h LYS 162 Cb 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2pu8 h LYS 162 CO -0.01 0.48 -0.55 1.96 -0.57 0.00 0.00 179.45 180.77 2pu8 h GLN 163 N 0.74 0.62 -0.43 3.15 1.08 -1.33 -3.09 115.11 115.84 2pu8 h GLN 163 Ca 0.20 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2pu8 h GLN 163 Cb -0.08 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2pu8 h GLN 163 CO -0.04 1.00 0.15 -0.07 -0.95 0.00 0.00 178.83 178.92 2pu8 h LEU 164 N 0.47 0.56 -0.68 1.46 3.38 -0.97 -1.58 115.31 117.95 2pu8 h LEU 164 Ca 0.01 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2pu8 h LEU 164 Cb 1.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2pu8 h LEU 164 CO 0.11 0.53 0.44 0.58 0.09 0.00 0.00 178.44 180.18 2pu8 h VAL 165 N 0.61 1.13 -0.04 1.22 2.07 -1.08 -0.79 116.25 119.37 2pu8 h VAL 165 Ca 0.15 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2pu8 h VAL 165 Cb 0.16 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2pu8 h VAL 165 CO -0.01 0.16 0.02 0.11 0.02 0.00 0.00 177.57 177.87 2pu8 h LYS 166 N 0.87 0.07 -0.69 1.57 1.57 -1.38 -1.75 116.57 116.82 2pu8 h LYS 166 Ca 0.26 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2pu8 h LYS 166 Cb -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2pu8 h LYS 166 CO -0.09 0.20 0.35 0.37 -0.57 0.00 0.00 179.45 179.72 2pu8 h GLN 167 N -0.08 0.96 -0.74 3.15 4.15 -1.09 -2.71 115.11 118.75 2pu8 h GLN 167 Ca 0.01 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2pu8 h GLN 167 Cb 0.15 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2pu8 h GLN 167 CO -0.00 0.72 0.00 1.19 -1.93 0.00 0.00 178.83 178.81 2pu8 n PHE 168 N -4.35 1.05 -1.68 3.99 3.72 -0.32 -4.93 117.46 114.94 2pu8 n PHE 168 Ca 0.07 -0.51 -0.46 0.00 -0.05 0.00 0.00 57.45 56.50 2pu8 n PHE 168 Cb 0.11 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 2pu8 n PHE 168 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2pu8 n THR 169 N 1.62 0.23 -3.18 4.37 -1.04 -0.67 -4.20 114.28 111.41 2pu8 n THR 169 Ca 0.25 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 62.01 2pu8 n THR 169 Cb 0.66 -1.74 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 2pu8 n THR 169 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2pu8 n ASN 170 N 4.74 1.03 -0.34 8.00 2.85 -1.26 -5.00 115.26 125.27 2pu8 n ASN 170 Ca 0.19 -2.97 -0.03 0.00 -0.11 0.00 0.00 54.58 51.66 2pu8 n ASN 170 Cb 0.30 -0.63 0.09 0.00 1.24 0.00 0.00 39.78 40.79 2pu8 n ASN 170 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2pu8 h PRO 171 N 3.42 1.21 -0.19 1.20 0.11 -1.97 -1.56 132.00 134.22 2pu8 h PRO 171 Ca 0.10 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 2pu8 h PRO 171 Cb 0.89 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 2pu8 h PRO 171 CO 0.53 0.81 -0.29 0.93 -0.21 0.00 0.00 178.00 179.76 2pu8 h GLU 172 N 1.25 0.53 -0.09 1.05 5.08 -1.99 -1.52 114.58 118.88 2pu8 h GLU 172 Ca 0.34 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2pu8 h GLU 172 Cb -0.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pu8 h GLU 172 CO -0.07 0.92 -0.77 -0.07 -1.00 0.00 0.00 179.01 178.02 2pu8 h LEU 173 N 0.19 0.65 -0.69 1.33 -0.00 -1.92 -2.85 115.31 112.03 2pu8 h LEU 173 Ca 0.02 -0.44 0.04 0.00 -0.00 0.00 0.00 57.88 57.50 2pu8 h LEU 173 Cb 0.88 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 41.29 2pu8 h LEU 173 CO 0.07 1.21 0.42 0.00 -0.00 0.00 0.00 178.44 180.13 2pu8 h ASP 175 N 0.80 0.89 -0.07 0.00 1.82 -1.19 0.17 116.42 118.85 2pu8 h ASP 175 Ca 0.29 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.96 2pu8 h ASP 175 Cb 0.08 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 2pu8 h ASP 175 CO -0.13 0.56 -0.07 0.40 -1.61 0.00 0.00 179.24 178.38 2pu8 h ILE 176 N 1.01 0.79 -0.39 2.25 2.04 -1.17 -2.03 117.51 120.00 2pu8 h ILE 176 Ca 0.40 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.12 2pu8 h ILE 176 Cb 0.25 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2pu8 h ILE 176 CO -0.16 0.00 -0.31 0.74 0.00 0.00 0.00 178.15 178.42 2pu8 h THR 177 N -0.10 1.28 -0.92 -0.27 2.02 -1.08 0.81 112.91 114.65 2pu8 h THR 177 Ca 0.05 -1.48 0.07 0.00 0.77 0.00 0.00 66.41 65.82 2pu8 h THR 177 Cb 0.17 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2pu8 h THR 177 CO -0.13 0.49 0.60 -0.33 0.37 0.00 0.00 175.52 176.53 2pu8 h GLU 178 N 0.72 1.01 0.07 6.66 5.08 -0.66 0.10 114.58 127.57 2pu8 h GLU 178 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2pu8 h GLU 178 Cb 0.90 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2pu8 h GLU 178 CO 0.08 0.67 -0.03 0.00 -1.00 0.00 0.00 179.01 178.73 2pu8 h ARG 179 N 1.05 -0.09 0.19 2.33 3.08 -1.18 -3.09 114.38 116.66 2pu8 h ARG 179 Ca 0.40 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 60.14 2pu8 h ARG 179 Cb 0.20 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.29 2pu8 h ARG 179 CO -0.15 0.46 -1.42 -0.07 -1.07 0.00 0.00 179.97 177.72 2pu8 h LEU 180 N -0.91 0.63 0.18 3.04 3.38 -0.74 0.13 115.31 121.01 2pu8 h LEU 180 Ca -0.01 -0.70 -0.32 0.00 0.09 0.00 0.00 57.88 56.94 2pu8 h LEU 180 Cb 0.59 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2pu8 h LEU 180 CO 0.02 1.56 -1.56 0.58 0.09 0.00 0.00 178.44 179.12 2pu8 h VAL 181 N 0.11 1.06 0.00 1.22 2.07 -0.99 -3.41 116.25 116.31 2pu8 h VAL 181 Ca -0.22 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2pu8 h VAL 181 Cb 2.08 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.69 2pu8 h VAL 181 CO 0.23 0.81 -0.75 0.49 0.02 0.00 0.00 177.57 178.37 2pu8 n PHE 182 N -3.73 0.00 0.08 1.57 3.72 -1.16 -4.71 117.46 113.22 2pu8 n PHE 182 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2pu8 n PHE 182 Cb 1.02 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 2pu8 n PHE 182 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2pu8 n THR 183 N -1.39 0.52 -0.24 4.37 -1.04 -1.03 -4.75 114.28 110.72 2pu8 n THR 183 Ca 0.02 0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 62.17 2pu8 n THR 183 Cb 0.22 -0.96 0.07 0.00 -1.82 0.00 0.00 70.33 67.85 2pu8 n THR 183 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2pu8 h ASP 184 N 0.00 0.68 0.06 8.00 3.32 -1.02 -2.03 116.42 125.43 2pu8 h ASP 184 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pu8 h ASP 184 Cb 0.00 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2pu8 h ASP 184 CO 0.00 0.47 -0.02 -0.65 -1.72 0.00 0.00 179.24 177.32 2pu8 h PRO 185 N 0.82 0.00 -0.06 3.56 0.11 -1.80 -2.70 132.00 131.93 2pu8 h PRO 185 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2pu8 h PRO 185 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2pu8 h PRO 185 CO -0.11 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 178.89 2pu8 n PHE 186 N -3.81 0.07 -4.16 0.65 3.72 -0.76 -4.85 117.46 108.32 2pu8 n PHE 186 Ca -0.03 -0.03 -0.11 0.00 -0.05 0.00 0.00 57.45 57.23 2pu8 n PHE 186 Cb 0.11 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 2pu8 n PHE 186 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2pu8 s PHE 187 N -1.93 0.98 -1.24 1.38 0.40 -1.02 -4.49 117.98 112.07 2pu8 s PHE 187 Ca 0.37 -1.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.25 2pu8 s PHE 187 Cb 0.19 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 2pu8 s PHE 187 CO 0.31 -0.63 1.99 -3.47 0.70 0.00 0.00 175.22 174.12 2pu8 n ASP 188 N -0.22 3.79 -4.86 1.36 4.64 -1.26 -4.91 116.55 115.09 2pu8 n ASP 188 Ca -0.01 -2.81 -0.29 0.00 -1.38 0.00 0.00 54.79 50.30 2pu8 n ASP 188 Cb 0.65 -1.58 -0.05 0.00 -1.04 0.00 0.00 41.12 39.10 2pu8 n ASP 188 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 2pu8 s HIS 189 N 4.89 3.35 -0.24 -0.67 3.76 -1.26 -5.02 115.29 120.10 2pu8 s HIS 189 Ca 0.54 0.13 0.27 0.00 -0.15 0.00 0.00 55.06 55.85 2pu8 s HIS 189 Cb 0.09 -1.66 1.17 0.00 1.11 0.00 0.00 32.58 33.30 2pu8 s HIS 189 CO 0.03 0.54 1.81 0.38 -0.85 0.00 0.00 174.74 176.66 2pu8 h ASP 190 N 2.84 0.00 1.35 1.40 3.04 -1.93 -2.67 116.42 120.45 2pu8 h ASP 190 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2pu8 h ASP 190 Cb 1.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 2pu8 h ASP 190 CO 0.69 0.00 0.00 0.71 -2.04 0.00 0.00 179.24 178.60 2pu8 h THR 191 N 0.00 0.00 -4.08 1.15 1.35 -1.95 -3.46 112.91 105.92 2pu8 h THR 191 Ca 0.00 -0.52 -0.53 0.00 -0.55 0.00 0.00 66.41 64.81 2pu8 h THR 191 Cb 0.36 1.46 0.11 0.00 -1.73 0.00 0.00 68.15 68.34 2pu8 h THR 191 CO 0.00 0.00 0.49 0.20 -0.25 0.00 0.00 175.52 175.96 2pu8 s ASN 192 N -4.91 5.39 -0.24 5.36 0.01 -1.01 -2.34 114.94 117.20 2pu8 s ASN 192 Ca 0.07 2.41 -0.03 0.00 -0.71 0.00 0.00 52.86 54.61 2pu8 s ASN 192 Cb 0.10 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.26 2pu8 s ASN 192 CO 0.56 -1.46 0.23 -0.62 -1.51 0.00 0.00 177.10 174.30 2pu8 s ASP 193 N -1.49 1.73 0.04 -1.22 3.68 0.10 -4.81 116.67 114.70 2pu8 s ASP 193 Ca 0.74 -0.52 -0.12 0.00 2.13 0.00 0.00 52.55 54.78 2pu8 s ASP 193 Cb -0.31 0.33 0.02 0.00 -1.45 0.00 0.00 42.92 41.51 2pu8 s ASP 193 CO 0.35 -0.36 0.27 0.72 0.13 0.00 0.00 175.17 176.28 2pu8 s PHE 194 N 2.31 -0.06 0.50 -5.34 -0.71 -1.26 -4.23 117.98 109.19 2pu8 s PHE 194 Ca 0.08 -0.10 -0.22 0.00 -1.04 0.00 0.00 56.93 55.65 2pu8 s PHE 194 Cb -0.15 0.06 -0.06 0.00 -1.21 0.00 0.00 43.02 41.66 2pu8 s PHE 194 CO -0.21 -0.48 1.21 -1.21 -1.34 0.00 0.00 175.22 173.18 2pu8 s GLU 195 N -2.55 3.48 0.34 1.99 8.01 -1.26 -4.94 118.70 123.78 2pu8 s GLU 195 Ca -0.05 1.87 0.02 0.00 0.01 0.00 0.00 54.97 56.82 2pu8 s GLU 195 Cb -0.01 -2.27 0.61 0.00 -4.31 0.00 0.00 34.13 28.15 2pu8 s GLU 195 CO -0.03 -0.81 1.98 1.05 0.01 0.00 0.00 175.26 177.45 2pu8 h GLU 196 N 1.68 0.80 -0.38 1.61 9.09 -2.02 -1.56 114.58 123.80 2pu8 h GLU 196 Ca -0.50 -0.07 0.11 0.00 0.05 0.00 0.00 59.36 58.95 2pu8 h GLU 196 Cb 1.27 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 2pu8 h GLU 196 CO 0.59 0.57 0.31 1.05 0.05 0.00 0.00 179.01 181.58 2pu8 h GLU 197 N 0.82 0.00 0.00 1.06 -0.00 -2.03 -1.08 114.58 113.36 2pu8 h GLU 197 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.57 2pu8 h GLU 197 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.73 2pu8 h GLU 197 CO -0.04 0.00 -0.07 -0.07 -0.00 0.00 0.00 179.01 178.83 2pu8 h LEU 198 N 0.00 0.00 -0.55 3.06 3.38 -1.65 -3.40 115.31 116.15 2pu8 h LEU 198 Ca 0.18 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.25 2pu8 h LEU 198 Cb 0.81 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 2pu8 h LEU 198 CO -0.00 0.01 -0.19 -0.09 0.09 0.00 0.00 178.44 178.26 2pu8 h ARG 199 N 0.00 -0.05 -1.01 1.13 2.43 -1.21 -0.92 114.38 114.75 2pu8 h ARG 199 Ca 0.00 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 2pu8 h ARG 199 Cb 0.83 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.27 2pu8 h ARG 199 CO 0.00 -0.03 0.60 -1.35 -1.51 0.00 0.00 179.97 177.68 2pu8 h PRO 200 N -0.05 0.57 0.01 0.20 0.11 -1.80 -0.21 132.00 130.84 2pu8 h PRO 200 Ca 0.26 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.11 2pu8 h PRO 200 Cb 0.45 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2pu8 h PRO 200 CO -0.59 0.38 -1.08 0.74 -0.21 0.00 0.00 178.00 177.24 2pu8 h PHE 201 N 0.59 0.04 -0.24 0.65 -1.00 -1.51 -2.80 116.94 112.67 2pu8 h PHE 201 Ca 0.63 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 61.34 2pu8 h PHE 201 Cb 1.21 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 2pu8 h PHE 201 CO -0.01 1.02 -0.05 0.28 -1.61 0.00 0.00 178.31 177.95 2pu8 h VAL 202 N 0.01 1.28 -0.18 -0.55 2.07 -0.54 -2.87 116.25 115.46 2pu8 h VAL 202 Ca -0.04 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2pu8 h VAL 202 Cb 1.80 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2pu8 h VAL 202 CO 0.13 0.32 -0.06 -0.33 0.02 0.00 0.00 177.57 177.65 2pu8 h GLU 203 N 0.19 0.28 -0.22 1.57 5.08 -1.12 -1.90 114.58 118.46 2pu8 h GLU 203 Ca 0.06 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2pu8 h GLU 203 Cb 0.50 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2pu8 h GLU 203 CO 0.02 0.36 0.02 -0.22 -1.00 0.00 0.00 179.01 178.19 2pu8 h LYS 204 N 0.27 0.09 -0.04 2.33 3.64 -1.38 -1.79 116.57 119.68 2pu8 h LYS 204 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2pu8 h LYS 204 Cb 0.29 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2pu8 h LYS 204 CO 0.01 0.06 0.03 1.25 -2.27 0.00 0.00 179.45 178.53 2pu8 h LEU 205 N 0.10 0.05 -1.98 5.20 5.85 -1.18 -2.39 115.31 120.96 2pu8 h LEU 205 Ca 0.10 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2pu8 h LEU 205 Cb 0.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2pu8 h LEU 205 CO -0.16 0.06 0.24 -0.50 -0.34 0.00 0.00 178.44 177.74 2pu8 h TRP 206 N 0.04 0.03 -0.01 1.25 6.55 -1.23 -1.08 115.95 121.50 2pu8 h TRP 206 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2pu8 h TRP 206 Cb 0.02 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 2pu8 h TRP 206 CO -0.07 0.01 -0.20 0.09 -1.05 0.00 0.00 178.44 177.23 2pu8 n ASN 207 N -4.44 1.36 -4.47 -3.49 3.02 -0.69 -4.74 115.26 101.81 2pu8 n ASN 207 Ca 0.05 -1.18 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 2pu8 n ASN 207 Cb 0.40 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 2pu8 n ASN 207 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2pu8 s ASN 208 N -2.34 6.46 0.21 6.41 3.84 -0.41 -4.89 114.94 124.22 2pu8 s ASN 208 Ca 0.28 -1.61 -0.10 0.00 0.21 0.00 0.00 52.86 51.64 2pu8 s ASN 208 Cb 0.20 -2.43 0.18 0.00 -0.55 0.00 0.00 41.25 38.65 2pu8 s ASN 208 CO 0.46 -1.26 1.84 0.44 -2.79 0.00 0.00 177.10 175.80 2pu8 h ASP 209 N 9.22 0.70 0.33 -4.21 5.19 -1.85 -2.71 116.42 123.10 2pu8 h ASP 209 Ca 0.02 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 2pu8 h ASP 209 Cb 1.04 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2pu8 h ASP 209 CO 1.18 0.48 -0.67 0.77 -3.12 0.00 0.00 179.24 177.89 2pu8 h SER 210 N 0.84 0.36 0.14 6.45 4.64 -1.96 -0.65 113.55 123.36 2pu8 h SER 210 Ca 0.28 -0.22 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 2pu8 h SER 210 Cb 0.02 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2pu8 h SER 210 CO -0.11 0.92 -0.67 1.62 -0.87 0.00 0.00 176.83 177.72 2pu8 h VAL 211 N 0.22 1.35 -0.26 0.95 3.04 -1.94 -2.93 116.25 116.68 2pu8 h VAL 211 Ca -0.02 -1.99 -0.12 0.00 -1.01 0.00 0.00 66.70 63.56 2pu8 h VAL 211 Cb 1.21 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 32.45 2pu8 h VAL 211 CO 0.11 0.61 -0.36 0.11 -1.01 0.00 0.00 177.57 177.03 2pu8 h LYS 212 N 0.35 0.57 -0.95 4.17 1.57 -1.15 0.38 116.57 121.51 2pu8 h LYS 212 Ca -0.02 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2pu8 h LYS 212 Cb 1.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2pu8 h LYS 212 CO 0.12 0.84 0.57 0.82 -0.57 0.00 0.00 179.45 181.23 2pu8 h ILE 213 N 0.48 1.26 -0.25 1.86 2.04 -1.16 -0.60 117.51 121.13 2pu8 h ILE 213 Ca 0.05 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 2pu8 h ILE 213 Cb 0.84 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2pu8 h ILE 213 CO 0.07 0.28 -0.13 -0.33 0.00 0.00 0.00 178.15 178.04 2pu8 h GLU 214 N 1.31 0.54 -0.93 2.37 4.39 -1.27 -2.38 114.58 118.61 2pu8 h GLU 214 Ca 0.34 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.90 2pu8 h GLU 214 Cb -0.05 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.51 2pu8 h GLU 214 CO -0.06 0.80 0.57 0.00 -1.16 0.00 0.00 179.01 179.15 2pu8 h ALA 215 N 0.73 1.34 -0.71 3.43 0.00 -0.74 -1.35 119.26 121.96 2pu8 h ALA 215 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2pu8 h ALA 215 Cb 0.64 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pu8 h ALA 215 CO 0.04 0.23 0.35 0.00 0.00 0.00 0.00 179.25 179.87 2pu8 h ALA 216 N 1.48 0.91 -0.69 0.00 0.00 -0.99 0.32 119.26 120.29 2pu8 h ALA 216 Ca 0.44 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2pu8 h ALA 216 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pu8 h ALA 216 CO -0.23 0.47 0.17 0.87 0.00 0.00 0.00 179.25 180.53 2pu8 h LYS 217 N 0.99 1.11 -0.46 0.00 1.57 -1.02 0.30 116.57 119.06 2pu8 h LYS 217 Ca 0.24 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2pu8 h LYS 217 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2pu8 h LYS 217 CO -0.03 0.98 0.07 -0.07 -0.57 0.00 0.00 179.45 179.83 2pu8 h LEU 218 N 1.04 0.73 -0.74 2.94 3.38 -1.01 -0.81 115.31 120.84 2pu8 h LEU 218 Ca 0.22 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2pu8 h LEU 218 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2pu8 h LEU 218 CO 0.00 0.81 0.49 0.50 0.09 0.00 0.00 178.44 180.33 2pu8 h LYS 219 N 0.62 0.97 -0.46 1.13 3.64 -0.81 -1.31 116.57 120.36 2pu8 h LYS 219 Ca 0.14 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2pu8 h LYS 219 Cb 0.39 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2pu8 h LYS 219 CO 0.01 0.64 0.07 -0.22 -2.27 0.00 0.00 179.45 177.68 2pu8 h LYS 220 N 1.00 0.71 -0.48 1.90 3.11 -0.66 0.68 116.57 122.82 2pu8 h LYS 220 Ca 0.28 -0.15 -0.07 0.00 -2.81 0.00 0.00 60.65 57.90 2pu8 h LYS 220 Cb -0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.01 2pu8 h LYS 220 CO -0.07 0.67 0.03 1.03 -2.81 0.00 0.00 179.45 178.30 2pu8 h SER 221 N 0.68 0.81 -0.70 4.20 0.87 -0.77 -2.44 113.55 116.19 2pu8 h SER 221 Ca 0.15 -0.29 0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2pu8 h SER 221 Cb 0.32 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 2pu8 h SER 221 CO 0.00 0.90 0.37 0.15 -0.53 0.00 0.00 176.83 177.72 2pu8 h PHE 222 N 0.69 0.66 0.00 2.24 3.57 -0.53 0.29 116.94 123.86 2pu8 h PHE 222 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2pu8 h PHE 222 Cb 0.47 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2pu8 h PHE 222 CO 0.04 0.27 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.17 2pu8 h LEU 223 N 0.64 0.00 0.00 0.59 3.38 -0.76 -3.40 115.31 115.76 2pu8 h LEU 223 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2pu8 h LEU 223 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2pu8 h LEU 223 CO -0.24 0.14 -0.42 0.35 0.09 0.00 0.00 178.44 178.36 2pu8 n THR 224 N -3.40 0.00 -2.72 0.22 -2.24 -0.93 -4.97 114.28 100.24 2pu8 n THR 224 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2pu8 n THR 224 Cb 0.32 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2pu8 n THR 224 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pu8 s SER 225 N -1.61 6.63 -1.36 3.42 0.01 0.98 -4.89 113.70 116.88 2pu8 s SER 225 Ca 0.00 -1.91 -0.12 0.00 1.31 0.00 0.00 55.95 55.24 2pu8 s SER 225 Cb 0.00 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.84 2pu8 s SER 225 CO 0.00 -1.25 2.02 0.00 0.41 0.00 0.00 173.24 174.42 2pu8 n ALA 226 N 7.76 5.37 0.02 1.44 0.00 -1.26 -1.90 120.51 131.93 2pu8 n ALA 226 Ca 0.32 -4.11 -0.22 0.00 0.00 0.00 0.00 53.44 49.44 2pu8 n ALA 226 Cb 0.49 -3.25 -0.14 0.00 0.00 0.00 0.00 19.45 16.55 2pu8 n ALA 226 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pu8 h GLU 227 N 5.93 0.29 -3.10 0.00 5.08 -1.70 -3.45 114.58 117.63 2pu8 h GLU 227 Ca 0.47 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2pu8 h GLU 227 Cb 0.65 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 2pu8 h GLU 227 CO 1.73 1.24 0.17 -0.08 -1.00 0.00 0.00 179.01 181.07 2pu8 s THR 228 N -2.56 0.00 -0.37 1.13 -1.32 -0.99 -3.92 115.64 107.61 2pu8 s THR 228 Ca -0.21 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.11 2pu8 s THR 228 Cb 0.06 -1.82 0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2pu8 s THR 228 CO 0.78 -0.01 1.15 -0.22 -2.21 0.00 0.00 174.62 174.11 2pu8 s LEU 229 N -2.90 3.81 0.27 9.08 2.96 -1.26 -1.29 118.68 129.36 2pu8 s LEU 229 Ca 0.10 0.88 0.06 0.00 -0.22 0.00 0.00 54.13 54.95 2pu8 s LEU 229 Cb -0.04 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2pu8 s LEU 229 CO 0.03 -1.06 0.34 0.27 -1.32 0.00 0.00 176.35 174.61 2pu8 s ILE 230 N 4.12 4.61 0.06 6.68 -4.36 -0.04 -4.65 121.20 127.62 2pu8 s ILE 230 Ca 0.49 -1.14 -0.17 0.00 -0.26 0.00 0.00 60.65 59.57 2pu8 s ILE 230 Cb -0.11 -3.58 -0.15 0.00 1.25 0.00 0.00 42.46 39.87 2pu8 s ILE 230 CO 0.23 -0.28 1.30 -0.74 0.24 0.00 0.00 174.94 175.68 2pu8 h HIS 231 N 1.20 0.69 0.00 1.37 -0.00 -1.90 -3.10 115.15 113.41 2pu8 h HIS 231 Ca -0.49 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 59.62 2pu8 h HIS 231 Cb 1.24 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2pu8 h HIS 231 CO 0.48 1.01 0.00 0.41 -0.00 0.00 0.00 177.93 179.82 2pu8 n GLY 232 N 0.48 1.69 2.70 5.26 0.00 -1.26 -1.96 105.19 112.09 2pu8 n GLY 232 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 2pu8 n GLY 232 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pu8 n ASP 233 N 0.00 -1.64 -3.97 1.61 4.64 -1.26 -4.87 116.55 111.06 2pu8 n ASP 233 Ca 0.00 -2.48 -0.43 0.00 -1.38 0.00 0.00 54.79 50.50 2pu8 n ASP 233 Cb 0.00 0.90 0.00 0.00 -1.04 0.00 0.00 41.12 40.98 2pu8 n ASP 233 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2pu8 n LEU 234 N -0.56 6.40 -4.95 -2.67 7.94 -1.26 -4.72 117.00 117.19 2pu8 n LEU 234 Ca -0.02 -4.65 -0.23 0.00 -1.11 0.00 0.00 56.01 50.00 2pu8 n LEU 234 Cb 0.85 -1.49 0.01 0.00 0.53 0.00 0.00 43.42 43.32 2pu8 n LEU 234 CO -0.05 1.29 0.15 -1.38 -1.11 0.00 0.00 177.39 176.28 2pu8 s HIS 235 N 0.41 1.75 0.22 1.96 -3.43 -1.26 -2.92 115.29 112.03 2pu8 s HIS 235 Ca 0.40 -0.73 0.36 0.00 -0.80 0.00 0.00 55.06 54.28 2pu8 s HIS 235 Cb 0.07 -2.07 1.65 0.00 -1.43 0.00 0.00 32.58 30.80 2pu8 s HIS 235 CO 0.01 -0.65 2.07 1.79 -2.00 0.00 0.00 174.74 175.96 2pu8 h THR 236 N 0.60 0.00 0.00 -5.38 1.35 -1.90 0.36 112.91 107.94 2pu8 h THR 236 Ca -0.35 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2pu8 h THR 236 Cb 1.29 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2pu8 h THR 236 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2pu8 n GLY 237 N -0.32 -1.32 1.59 5.82 0.00 -1.26 -1.64 105.19 108.06 2pu8 n GLY 237 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 2pu8 n GLY 237 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pu8 n SER 238 N -1.47 4.22 -3.85 1.61 7.64 0.12 -4.90 113.62 116.98 2pu8 n SER 238 Ca 0.07 -3.27 -0.15 0.00 1.01 0.00 0.00 58.87 56.53 2pu8 n SER 238 Cb 0.28 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.65 2pu8 n SER 238 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pu8 s ILE 239 N -3.00 0.12 -0.15 0.44 1.01 -1.22 -1.51 121.20 116.89 2pu8 s ILE 239 Ca 0.50 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 2pu8 s ILE 239 Cb 0.41 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.68 2pu8 s ILE 239 CO 0.10 0.08 0.13 -0.36 0.00 0.00 0.00 174.94 174.89 2pu8 s PHE 240 N 0.46 3.49 0.02 3.97 0.08 0.31 -0.65 117.98 125.65 2pu8 s PHE 240 Ca -0.04 0.41 -0.00 0.00 0.12 0.00 0.00 56.93 57.42 2pu8 s PHE 240 Cb -0.07 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2pu8 s PHE 240 CO -0.01 0.52 -0.03 0.00 -0.10 0.00 0.00 175.22 175.60 2pu8 s ALA 241 N -0.42 0.11 0.21 5.36 0.00 0.15 -0.65 121.76 126.52 2pu8 s ALA 241 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2pu8 s ALA 241 Cb -0.12 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2pu8 s ALA 241 CO 0.01 -0.15 0.11 -1.13 0.00 0.00 0.00 175.76 174.60 2pu8 n SER 242 N 1.65 0.57 -0.36 0.00 3.41 -0.39 -1.48 113.62 117.02 2pu8 n SER 242 Ca -0.24 -2.18 0.08 0.00 -0.26 0.00 0.00 58.87 56.28 2pu8 n SER 242 Cb 0.55 0.68 0.25 0.00 -0.26 0.00 0.00 64.21 65.44 2pu8 n SER 242 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2pu8 h GLU 243 N 0.00 0.92 -0.00 4.33 4.81 -2.01 -3.20 114.58 119.43 2pu8 h GLU 243 Ca -0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2pu8 h GLU 243 Cb 0.65 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2pu8 h GLU 243 CO 0.24 0.61 -0.49 0.72 -0.73 0.00 0.00 179.01 179.36 2pu8 n HIS 244 N -4.65 0.00 -4.37 0.92 8.25 -1.26 -4.38 115.22 109.72 2pu8 n HIS 244 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 2pu8 n HIS 244 Cb 0.39 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 2pu8 n HIS 244 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2pu8 s GLU 245 N -2.00 1.02 -0.01 -0.41 2.02 -1.21 -5.06 118.70 113.04 2pu8 s GLU 245 Ca 0.06 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2pu8 s GLU 245 Cb 0.09 -1.07 0.02 0.00 0.10 0.00 0.00 34.13 33.27 2pu8 s GLU 245 CO 0.45 0.26 0.01 0.99 0.02 0.00 0.00 175.26 177.00 2pu8 s THR 246 N -0.93 0.01 -0.04 3.63 2.01 -1.26 -1.27 115.64 117.79 2pu8 s THR 246 Ca 0.03 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2pu8 s THR 246 Cb -0.09 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.36 2pu8 s THR 246 CO 0.02 0.06 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.44 2pu8 s LYS 247 N 0.63 0.69 -0.17 4.92 -0.14 0.17 -4.47 119.74 121.38 2pu8 s LYS 247 Ca -0.05 -0.05 -0.15 0.00 -1.36 0.00 0.00 55.97 54.35 2pu8 s LYS 247 Cb -0.08 -0.76 -0.04 0.00 -1.68 0.00 0.00 37.83 35.27 2pu8 s LYS 247 CO -0.02 -0.10 0.35 0.08 -0.76 0.00 0.00 175.35 174.90 2pu8 s VAL 248 N 0.98 5.26 0.40 3.17 1.01 0.15 -0.53 120.40 130.84 2pu8 s VAL 248 Ca -0.10 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2pu8 s VAL 248 Cb -0.14 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2pu8 s VAL 248 CO -0.01 0.34 0.05 0.27 0.00 0.00 0.00 175.10 175.75 2pu8 s ILE 249 N 0.77 1.31 -1.26 2.22 -4.36 -0.57 -4.31 121.20 115.01 2pu8 s ILE 249 Ca 0.18 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2pu8 s ILE 249 Cb -0.14 -2.65 -0.00 0.00 1.25 0.00 0.00 42.46 40.92 2pu8 s ILE 249 CO 0.06 0.00 0.79 0.47 0.24 0.00 0.00 174.94 176.50 2pu8 n ASP 250 N -1.00 -1.83 -1.64 4.36 10.43 -1.26 -4.78 116.55 120.84 2pu8 n ASP 250 Ca -0.07 -0.77 -0.02 0.00 2.57 0.00 0.00 54.79 56.50 2pu8 n ASP 250 Cb 0.66 -4.38 -0.03 0.00 1.84 0.00 0.00 41.12 39.22 2pu8 n ASP 250 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 2pu8 n PRO 251 N -4.17 1.11 0.13 -0.24 -0.04 -1.26 -4.42 135.00 126.10 2pu8 n PRO 251 Ca -0.28 -0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2pu8 n PRO 251 Cb 0.67 -1.22 0.42 0.00 -0.04 0.00 0.00 33.50 33.33 2pu8 n PRO 251 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2pu8 h GLU 252 N 1.63 0.00 -0.21 0.54 4.11 -1.87 -2.66 114.58 116.12 2pu8 h GLU 252 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2pu8 h GLU 252 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2pu8 h GLU 252 CO 0.05 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.32 2pu8 n PHE 253 N -2.35 0.27 -1.77 2.06 3.01 -1.25 -4.70 117.46 112.73 2pu8 n PHE 253 Ca 0.04 -0.13 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 2pu8 n PHE 253 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 2pu8 n PHE 253 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pu8 s ALA 254 N -1.73 3.66 0.20 4.37 0.00 -0.83 -4.41 121.76 123.01 2pu8 s ALA 254 Ca 0.28 1.60 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 2pu8 s ALA 254 Cb 0.15 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.70 2pu8 s ALA 254 CO 0.21 -1.05 0.98 -0.59 0.00 0.00 0.00 175.76 175.31 2pu8 s PHE 255 N -0.64 -0.00 -0.60 0.00 -0.12 -1.17 -4.66 117.98 110.78 2pu8 s PHE 255 Ca 0.58 -0.39 -0.28 0.00 -0.05 0.00 0.00 56.93 56.78 2pu8 s PHE 255 Cb -0.48 0.69 0.03 0.00 -0.63 0.00 0.00 43.02 42.64 2pu8 s PHE 255 CO 0.57 -0.96 1.20 0.71 -0.05 0.00 0.00 175.22 176.69 2pu8 s TYR 256 N -2.63 2.57 0.17 3.49 2.02 -1.26 -0.86 117.35 120.85 2pu8 s TYR 256 Ca 0.17 0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 2pu8 s TYR 256 Cb -0.02 -4.52 -0.01 0.00 -0.40 0.00 0.00 41.96 37.01 2pu8 s TYR 256 CO 0.05 -1.65 0.13 0.41 -1.57 0.00 0.00 175.55 172.92 2pu8 n GLY 257 N 5.11 3.51 3.76 0.71 0.00 -0.41 -4.29 105.19 113.58 2pu8 n GLY 257 Ca 0.07 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2pu8 n GLY 257 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pu8 s PRO 258 N -2.69 4.33 0.30 1.61 0.04 -0.80 -2.33 135.00 135.46 2pu8 s PRO 258 Ca 0.18 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2pu8 s PRO 258 Cb 0.01 -3.10 0.56 0.00 0.04 0.00 0.00 34.50 32.01 2pu8 s PRO 258 CO 0.13 -0.28 1.88 0.82 0.04 0.00 0.00 177.00 179.59 2pu8 h ILE 259 N 3.32 0.99 0.00 0.56 2.04 -1.91 -2.43 117.51 120.08 2pu8 h ILE 259 Ca -0.47 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2pu8 h ILE 259 Cb 1.22 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2pu8 h ILE 259 CO 0.71 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.66 2pu8 n GLY 260 N -1.38 -1.13 0.33 5.37 0.00 -1.26 -4.08 105.19 103.03 2pu8 n GLY 260 Ca 0.16 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 2pu8 n GLY 260 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pu8 h PHE 261 N 0.00 -0.74 -0.94 1.61 3.04 -1.75 0.12 116.94 118.28 2pu8 h PHE 261 Ca 0.00 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2pu8 h PHE 261 Cb 0.29 0.24 -0.05 0.00 2.56 0.00 0.00 35.95 39.00 2pu8 h PHE 261 CO 0.00 -0.42 0.59 -0.44 -2.02 0.00 0.00 178.31 176.02 2pu8 h ASP 262 N -0.92 1.12 0.03 0.41 3.32 -1.79 -0.91 116.42 117.67 2pu8 h ASP 262 Ca -0.08 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2pu8 h ASP 262 Cb 0.65 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2pu8 h ASP 262 CO 0.13 0.84 -0.07 0.58 -1.72 0.00 0.00 179.24 179.01 2pu8 h VAL 263 N 1.29 0.83 -0.58 -1.35 2.07 -1.72 -2.07 116.25 114.72 2pu8 h VAL 263 Ca 0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 2pu8 h VAL 263 Cb -0.09 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2pu8 h VAL 263 CO -0.07 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.10 2pu8 h GLY 264 N -0.13 0.86 1.00 2.17 0.00 -0.58 -2.07 103.07 104.32 2pu8 h GLY 264 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2pu8 h GLY 264 CO -0.05 0.35 0.26 1.46 0.00 0.00 0.00 176.54 178.57 2pu8 h GLN 265 N 0.79 0.95 -0.04 4.80 4.20 -1.07 -0.61 115.11 124.13 2pu8 h GLN 265 Ca 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2pu8 h GLN 265 Cb 0.00 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2pu8 h GLN 265 CO -0.04 0.79 0.01 0.35 -0.67 0.00 0.00 178.83 179.27 2pu8 h PHE 266 N 0.89 0.06 -0.64 2.96 3.04 -1.25 -2.31 116.94 119.70 2pu8 h PHE 266 Ca 0.21 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.20 2pu8 h PHE 266 Cb 0.19 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.64 2pu8 h PHE 266 CO 0.01 0.28 0.38 0.82 -2.02 0.00 0.00 178.31 177.77 2pu8 h ILE 267 N -0.17 1.03 -0.73 1.41 2.04 -1.28 -1.66 117.51 118.14 2pu8 h ILE 267 Ca 0.01 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2pu8 h ILE 267 Cb 0.25 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2pu8 h ILE 267 CO 0.00 0.13 0.49 0.00 0.00 0.00 0.00 178.15 178.77 2pu8 h ALA 268 N 1.30 1.52 0.00 1.87 0.00 -0.97 -1.88 119.26 121.11 2pu8 h ALA 268 Ca 0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2pu8 h ALA 268 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pu8 h ALA 268 CO -0.14 0.42 -0.53 -0.91 0.00 0.00 0.00 179.25 178.09 2pu8 h ASN 269 N 0.94 0.00 -0.38 0.00 2.35 -0.75 0.17 115.58 117.91 2pu8 h ASN 269 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2pu8 h ASN 269 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2pu8 h ASN 269 CO -0.07 0.53 0.12 -0.07 -1.65 0.00 0.00 177.43 176.29 2pu8 h LEU 270 N 0.00 0.54 -0.72 1.61 3.38 -0.84 -2.24 115.31 117.04 2pu8 h LEU 270 Ca -0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2pu8 h LEU 270 Cb 1.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2pu8 h LEU 270 CO 0.07 0.60 0.01 -0.26 0.09 0.00 0.00 178.44 178.95 2pu8 h PHE 271 N 0.46 1.08 -0.93 1.13 0.04 -1.05 -1.49 116.94 116.18 2pu8 h PHE 271 Ca 0.12 -0.17 0.05 0.00 2.80 0.00 0.00 57.97 60.77 2pu8 h PHE 271 Cb 0.24 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 2pu8 h PHE 271 CO 0.01 0.95 0.59 -0.07 -0.60 0.00 0.00 178.31 179.19 2pu8 h LEU 272 N 0.92 0.96 -0.62 1.54 3.38 -0.65 -1.46 115.31 119.38 2pu8 h LEU 272 Ca 0.17 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2pu8 h LEU 272 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2pu8 h LEU 272 CO 0.03 0.63 -0.02 -1.13 0.09 0.00 0.00 178.44 178.03 2pu8 h ASN 273 N 1.10 1.04 -0.97 -0.43 -0.73 -1.12 -2.85 115.58 111.62 2pu8 h ASN 273 Ca 0.39 -0.31 0.06 0.00 1.87 0.00 0.00 56.30 58.31 2pu8 h ASN 273 Cb 0.11 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.36 2pu8 h ASN 273 CO -0.16 1.10 0.63 0.00 -0.37 0.00 0.00 177.43 178.64 2pu8 h ALA 274 N 1.00 1.33 -0.08 1.57 0.00 -0.84 -1.88 119.26 120.35 2pu8 h ALA 274 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pu8 h ALA 274 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pu8 h ALA 274 CO 0.03 0.45 -0.10 1.25 0.00 0.00 0.00 179.25 180.88 2pu8 h LEU 275 N 1.17 0.11 -0.20 0.00 5.85 -1.15 -2.10 115.31 118.99 2pu8 h LEU 275 Ca 0.41 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2pu8 h LEU 275 Cb 0.12 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2pu8 h LEU 275 CO -0.16 0.23 0.00 0.77 -0.34 0.00 0.00 178.44 178.95 2pu8 h SER 276 N 0.12 0.00 -2.30 1.25 4.64 -1.12 -3.46 113.55 112.68 2pu8 h SER 276 Ca 0.03 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.91 2pu8 h SER 276 Cb 0.26 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.40 2pu8 h SER 276 CO 0.02 0.00 -0.05 -0.13 -0.87 0.00 0.00 176.83 175.79 2pu8 s ARG 277 N -3.22 2.50 0.06 4.77 0.52 -0.79 -4.98 118.95 117.80 2pu8 s ARG 277 Ca 0.08 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 2pu8 s ARG 277 Cb 0.08 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 2pu8 s ARG 277 CO 0.61 -0.73 -0.23 -0.51 0.02 0.00 0.00 175.30 174.46 2pu8 s ASP 278 N -4.45 2.72 1.56 0.23 -0.00 -1.26 -4.91 116.67 110.56 2pu8 s ASP 278 Ca 0.58 -0.58 0.00 0.00 -0.00 0.00 0.00 52.55 52.55 2pu8 s ASP 278 Cb -0.10 -0.22 0.00 0.00 -0.00 0.00 0.00 42.92 42.61 2pu8 s ASP 278 CO 0.38 0.17 0.00 0.61 -0.00 0.00 0.00 175.17 176.33 2pu8 n GLY 279 N 1.65 3.35 0.23 0.21 0.00 -1.26 -2.06 105.19 107.31 2pu8 n GLY 279 Ca -0.17 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 45.89 2pu8 n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu8 h ALA 280 N -0.82 1.00 0.00 4.61 0.00 -2.03 -2.70 119.26 119.32 2pu8 h ALA 280 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pu8 h ALA 280 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pu8 h ALA 280 CO 0.00 0.00 -0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2pu8 h ASP 281 N 0.00 0.00 1.30 0.00 3.45 -1.83 -2.38 116.42 116.96 2pu8 h ASP 281 Ca 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 2pu8 h ASP 281 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2pu8 h ASP 281 CO 0.00 0.00 -0.26 0.03 -1.57 0.00 0.00 179.24 177.44 2pu8 h ARG 282 N 0.00 0.00 -0.44 3.56 3.08 -1.59 -3.37 114.38 115.62 2pu8 h ARG 282 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2pu8 h ARG 282 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 2pu8 h ARG 282 CO 0.00 0.26 0.04 0.93 -1.07 0.00 0.00 179.97 180.13 2pu8 h GLU 283 N 0.00 0.16 -0.85 0.04 4.39 -1.64 -0.82 114.58 115.86 2pu8 h GLU 283 Ca -0.00 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2pu8 h GLU 283 Cb 0.98 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 2pu8 h GLU 283 CO 0.03 0.11 0.56 -1.35 -1.16 0.00 0.00 179.01 177.20 2pu8 h PRO 284 N 0.16 0.50 -0.30 2.33 0.11 -1.81 0.13 132.00 133.13 2pu8 h PRO 284 Ca 0.22 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.14 2pu8 h PRO 284 Cb 0.29 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 2pu8 h PRO 284 CO -0.32 0.33 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.33 2pu8 h LEU 285 N 0.51 0.87 -0.69 2.35 -0.00 -1.42 -0.39 115.31 116.55 2pu8 h LEU 285 Ca 0.43 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2pu8 h LEU 285 Cb 0.90 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 2pu8 h LEU 285 CO -0.17 1.20 0.41 1.88 -0.00 0.00 0.00 178.44 181.76 2pu8 h TYR 286 N 0.57 0.93 -0.94 1.13 0.99 -0.98 -0.97 116.97 117.69 2pu8 h TYR 286 Ca 0.03 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 2pu8 h TYR 286 Cb 1.00 -0.30 -0.05 0.00 1.00 0.00 0.00 36.73 38.38 2pu8 h TYR 286 CO 0.07 0.64 0.58 0.93 -0.00 0.00 0.00 178.16 180.38 2pu8 h GLU 287 N 0.95 1.27 -0.64 4.88 4.39 -0.63 -1.88 114.58 122.91 2pu8 h GLU 287 Ca 0.25 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 2pu8 h GLU 287 Cb -0.01 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.34 2pu8 h GLU 287 CO -0.04 0.88 0.22 0.45 -1.16 0.00 0.00 179.01 179.36 2pu8 h HIS 288 N 1.29 1.01 -0.13 4.33 3.86 -0.53 0.16 115.15 125.14 2pu8 h HIS 288 Ca 0.34 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.47 2pu8 h HIS 288 Cb -0.07 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 2pu8 h HIS 288 CO 0.00 0.81 0.03 0.28 0.86 0.00 0.00 177.93 179.91 2pu8 h VAL 289 N 0.91 0.95 -0.13 2.45 2.07 -1.00 0.39 116.25 121.88 2pu8 h VAL 289 Ca 0.21 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.73 2pu8 h VAL 289 Cb 0.26 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2pu8 h VAL 289 CO -0.01 0.02 -0.06 -1.13 0.02 0.00 0.00 177.57 176.40 2pu8 h ASN 290 N 0.09 -0.20 -0.34 0.57 -1.24 -1.20 -2.60 115.58 110.64 2pu8 h ASN 290 Ca 0.06 0.05 -0.13 0.00 0.71 0.00 0.00 56.30 56.99 2pu8 h ASN 290 Cb 0.05 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 2pu8 h ASN 290 CO -0.07 -0.08 -0.27 -0.61 -1.29 0.00 0.00 177.43 175.11 2pu8 h GLN 291 N -0.05 0.85 -0.41 6.67 5.75 -0.86 -1.97 115.11 125.09 2pu8 h GLN 291 Ca 0.07 -0.38 -0.11 0.00 -0.15 0.00 0.00 58.65 58.08 2pu8 h GLN 291 Cb 0.15 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2pu8 h GLN 291 CO -0.16 1.02 -0.18 -0.24 -2.65 0.00 0.00 178.83 176.61 2pu8 h VAL 292 N 0.73 1.28 0.04 2.39 3.04 -0.85 0.41 116.25 123.29 2pu8 h VAL 292 Ca 0.09 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.46 2pu8 h VAL 292 Cb 0.81 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2pu8 h VAL 292 CO 0.07 0.44 -0.02 -0.25 -1.01 0.00 0.00 177.57 176.80 2pu8 h TRP 293 N 0.66 -0.05 -0.58 3.17 2.91 -1.40 0.52 115.95 121.18 2pu8 h TRP 293 Ca 0.09 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.13 2pu8 h TRP 293 Cb 0.74 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.37 2pu8 h TRP 293 CO 0.06 -0.03 0.36 1.49 -1.03 0.00 0.00 178.44 179.29 2pu8 h GLU 294 N -0.06 0.70 -0.27 2.65 4.81 -1.20 0.12 114.58 121.32 2pu8 h GLU 294 Ca -0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2pu8 h GLU 294 Cb 0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2pu8 h GLU 294 CO 0.01 0.46 -0.22 1.15 -0.73 0.00 0.00 179.01 179.68 2pu8 h THR 295 N 0.72 1.31 -0.17 0.32 2.02 -0.88 -1.23 112.91 115.01 2pu8 h THR 295 Ca 0.23 -1.37 0.05 0.00 0.77 0.00 0.00 66.41 66.09 2pu8 h THR 295 Cb -0.01 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 2pu8 h THR 295 CO -0.09 0.43 -0.30 0.15 0.37 0.00 0.00 175.52 176.09 2pu8 h PHE 296 N 0.36 -0.82 -0.41 3.16 3.57 -0.59 0.13 116.94 122.35 2pu8 h PHE 296 Ca 0.05 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2pu8 h PHE 296 Cb 0.77 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2pu8 h PHE 296 CO 0.07 -0.37 0.27 1.49 -2.23 0.00 0.00 178.31 177.53 2pu8 h GLU 297 N -0.35 0.53 -0.48 1.11 4.81 -0.70 0.22 114.58 119.71 2pu8 h GLU 297 Ca 0.11 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2pu8 h GLU 297 Cb 0.52 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2pu8 h GLU 297 CO -0.37 0.35 0.31 0.93 -0.73 0.00 0.00 179.01 179.50 2pu8 h GLU 298 N 0.54 0.62 0.00 1.92 5.08 -1.02 -0.29 114.58 121.43 2pu8 h GLU 298 Ca 0.15 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pu8 h GLU 298 Cb -0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2pu8 h GLU 298 CO -0.04 0.41 -0.00 1.15 -1.00 0.00 0.00 179.01 179.53 2pu8 h THR 299 N 0.64 1.35 -0.73 1.13 2.02 -0.39 -0.94 112.91 115.98 2pu8 h THR 299 Ca 0.18 -1.03 0.08 0.00 0.77 0.00 0.00 66.41 66.42 2pu8 h THR 299 Cb -0.05 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 2pu8 h THR 299 CO -0.05 0.27 0.39 0.15 0.37 0.00 0.00 175.52 176.65 2pu8 h PHE 300 N -0.44 0.71 -0.58 3.16 3.04 -1.00 -1.57 116.94 120.27 2pu8 h PHE 300 Ca -0.00 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 2pu8 h PHE 300 Cb 0.44 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2pu8 h PHE 300 CO 0.08 0.30 0.06 0.77 -2.02 0.00 0.00 178.31 177.49 2pu8 h SER 301 N 0.68 0.96 -0.45 0.41 0.02 -0.92 -0.92 113.55 113.33 2pu8 h SER 301 Ca 0.35 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2pu8 h SER 301 Cb 0.31 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2pu8 h SER 301 CO -0.23 1.00 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.97 2pu8 h GLU 302 N 0.89 0.94 -0.20 3.45 3.07 -0.91 -1.32 114.58 120.49 2pu8 h GLU 302 Ca 0.17 -0.36 -0.05 0.00 -0.50 0.00 0.00 59.36 58.63 2pu8 h GLU 302 Cb 0.47 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2pu8 h GLU 302 CO 0.02 1.02 -0.05 0.00 -1.40 0.00 0.00 179.01 178.59 2pu8 h ALA 303 N 0.99 0.28 -0.21 3.43 0.00 -1.21 -2.11 119.26 120.43 2pu8 h ALA 303 Ca 0.12 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2pu8 h ALA 303 Cb 0.70 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2pu8 h ALA 303 CO 0.05 0.06 -0.32 2.35 0.00 0.00 0.00 179.25 181.39 2pu8 h TRP 304 N 0.11 -0.89 -0.25 0.00 2.91 -1.12 0.13 115.95 116.84 2pu8 h TRP 304 Ca 0.05 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.17 2pu8 h TRP 304 Cb 0.50 0.42 -0.06 0.00 -0.51 0.00 0.00 29.16 29.52 2pu8 h TRP 304 CO 0.05 -0.39 -0.14 1.96 -1.03 0.00 0.00 178.44 178.89 2pu8 h GLN 305 N -0.35 -0.12 0.00 2.65 1.08 -1.16 -2.72 115.11 114.49 2pu8 h GLN 305 Ca 0.12 0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.13 2pu8 h GLN 305 Cb 0.54 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 2pu8 h GLN 305 CO -0.40 -0.08 -1.10 0.87 -0.95 0.00 0.00 178.83 177.17 2pu8 h LYS 306 N -0.12 0.00 0.00 1.46 1.57 -1.11 -3.39 116.57 114.97 2pu8 h LYS 306 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2pu8 h LYS 306 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2pu8 h LYS 306 CO -0.32 0.64 -0.26 -0.25 -0.57 0.00 0.00 179.45 178.69 2pu8 n ASP 307 N -3.17 0.66 -4.77 0.86 10.43 0.42 -5.06 116.55 115.92 2pu8 n ASP 307 Ca -0.05 -2.06 -0.38 0.00 2.57 0.00 0.00 54.79 54.87 2pu8 n ASP 307 Cb 0.89 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 43.63 2pu8 n ASP 307 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2pu8 s SER 308 N -1.23 6.66 -0.00 -2.24 0.01 -1.03 -4.52 113.70 111.35 2pu8 s SER 308 Ca 0.07 2.26 0.19 0.00 1.31 0.00 0.00 55.95 59.78 2pu8 s SER 308 Cb 0.06 -2.61 -0.22 0.00 0.21 0.00 0.00 66.02 63.47 2pu8 s SER 308 CO 0.01 -0.57 0.75 0.18 0.41 0.00 0.00 173.24 174.01 2pu8 n LEU 309 N 0.17 0.77 -4.68 2.44 4.77 -0.49 -4.97 117.00 115.01 2pu8 n LEU 309 Ca 0.04 -0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.16 2pu8 n LEU 309 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2pu8 n LEU 309 CO 0.50 0.19 1.04 -0.62 -1.33 0.00 0.00 177.39 177.17 2pu8 s ASP 310 N -2.96 6.97 0.60 -1.43 3.68 -1.26 -4.93 116.67 117.33 2pu8 s ASP 310 Ca 0.05 1.82 0.30 0.00 2.13 0.00 0.00 52.55 56.86 2pu8 s ASP 310 Cb 0.14 -2.55 1.83 0.00 -1.45 0.00 0.00 42.92 40.89 2pu8 s ASP 310 CO 0.78 -0.68 2.23 -0.37 0.13 0.00 0.00 175.17 177.26 2pu8 h VAL 311 N 5.21 0.48 0.00 1.11 -1.51 -1.99 -1.91 116.25 117.64 2pu8 h VAL 311 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2pu8 h VAL 311 Cb 1.14 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2pu8 h VAL 311 CO 0.92 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 176.04 2pu8 n TYR 312 N -3.79 0.30 0.12 5.19 4.02 -1.26 -4.42 117.16 117.32 2pu8 n TYR 312 Ca -0.02 0.09 0.05 0.00 -0.01 0.00 0.00 57.90 58.01 2pu8 n TYR 312 Cb 0.13 -0.65 0.47 0.00 -0.02 0.00 0.00 39.34 39.27 2pu8 n TYR 312 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pu8 h ALA 313 N 2.78 1.72 -0.51 -0.72 0.00 -1.75 -2.39 119.26 118.38 2pu8 h ALA 313 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pu8 h ALA 313 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pu8 h ALA 313 CO 0.00 0.22 0.00 0.27 0.00 0.00 0.00 179.25 179.74 2pu8 n ASN 314 N -4.42 4.56 -4.69 0.00 2.04 -1.26 -4.53 115.26 106.96 2pu8 n ASN 314 Ca -0.00 -2.62 -0.42 0.00 -0.44 0.00 0.00 54.58 51.10 2pu8 n ASN 314 Cb 0.14 -0.55 -0.03 0.00 -2.53 0.00 0.00 39.78 36.82 2pu8 n ASN 314 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2pu8 s ILE 315 N -2.15 4.36 -0.09 1.53 1.01 -0.90 -4.94 121.20 120.03 2pu8 s ILE 315 Ca 0.47 1.67 -0.34 0.00 0.00 0.00 0.00 60.65 62.45 2pu8 s ILE 315 Cb 0.33 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 2pu8 s ILE 315 CO 0.18 -0.01 1.91 -0.90 0.00 0.00 0.00 174.94 176.13 2pu8 n ASP 316 N 5.24 3.51 0.00 3.58 5.75 -1.26 -1.44 116.55 131.93 2pu8 n ASP 316 Ca 0.11 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.82 2pu8 n ASP 316 Cb 0.47 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 2pu8 n ASP 316 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pu8 n GLY 317 N 4.52 2.64 0.07 6.12 0.00 -1.26 -4.97 105.19 112.30 2pu8 n GLY 317 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2pu8 n GLY 317 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pu8 h TYR 318 N 0.00 0.09 -0.70 1.61 3.20 -1.58 -1.71 116.97 117.89 2pu8 h TYR 318 Ca 0.00 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.88 2pu8 h TYR 318 Cb 0.00 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2pu8 h TYR 318 CO 0.00 0.54 0.43 1.25 -1.64 0.00 0.00 178.16 178.74 2pu8 h LEU 319 N -0.38 0.68 -0.49 2.82 5.85 -1.80 -1.86 115.31 120.13 2pu8 h LEU 319 Ca 0.01 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2pu8 h LEU 319 Cb 0.53 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2pu8 h LEU 319 CO 0.01 0.46 0.25 0.74 -0.34 0.00 0.00 178.44 179.56 2pu8 h THR 320 N 0.81 0.97 -0.08 1.05 2.02 -1.93 -0.67 112.91 115.08 2pu8 h THR 320 Ca 0.29 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 67.14 2pu8 h THR 320 Cb 0.08 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2pu8 h THR 320 CO -0.14 0.09 -0.65 0.44 0.37 0.00 0.00 175.52 175.64 2pu8 h ASP 321 N 0.50 0.37 -0.40 4.18 5.19 -1.17 -2.35 116.42 122.74 2pu8 h ASP 321 Ca 0.21 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2pu8 h ASP 321 Cb 0.11 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2pu8 h ASP 321 CO -0.14 0.92 0.17 0.74 -3.12 0.00 0.00 179.24 177.81 2pu8 h THR 322 N 0.23 1.19 -0.45 0.35 2.02 -1.03 -2.32 112.91 112.89 2pu8 h THR 322 Ca -0.01 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2pu8 h THR 322 Cb 1.18 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2pu8 h THR 322 CO 0.11 0.21 0.10 -0.07 0.37 0.00 0.00 175.52 176.23 2pu8 h LEU 323 N 0.51 0.62 -0.86 2.58 3.38 -1.03 -1.66 115.31 118.85 2pu8 h LEU 323 Ca 0.14 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2pu8 h LEU 323 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pu8 h LEU 323 CO -0.01 0.63 -0.20 0.28 0.09 0.00 0.00 178.44 179.22 2pu8 h SER 324 N 0.66 0.62 -0.21 -0.43 0.02 -1.23 0.22 113.55 113.20 2pu8 h SER 324 Ca 0.15 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 2pu8 h SER 324 Cb 0.26 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2pu8 h SER 324 CO -0.00 0.83 -0.26 -0.74 -1.14 0.00 0.00 176.83 175.52 2pu8 h HIS 325 N 0.55 0.67 -0.57 3.45 -0.00 -1.19 -1.73 115.15 116.34 2pu8 h HIS 325 Ca 0.08 -0.21 0.06 0.00 -0.00 0.00 0.00 60.37 60.30 2pu8 h HIS 325 Cb 0.65 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.87 2pu8 h HIS 325 CO 0.03 0.92 0.27 0.82 -0.00 0.00 0.00 177.93 179.96 2pu8 h ILE 326 N 0.24 0.90 0.10 6.26 2.04 -1.09 -2.16 117.51 123.79 2pu8 h ILE 326 Ca 0.03 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2pu8 h ILE 326 Cb 0.82 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2pu8 h ILE 326 CO 0.06 0.09 -0.06 0.15 0.00 0.00 0.00 178.15 178.40 2pu8 h PHE 327 N 0.51 -0.15 -0.39 1.37 3.57 -0.92 0.46 116.94 121.39 2pu8 h PHE 327 Ca 0.26 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 2pu8 h PHE 327 Cb 0.22 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2pu8 h PHE 327 CO -0.12 -0.09 0.09 1.49 -2.23 0.00 0.00 178.31 177.45 2pu8 h GLU 328 N -0.15 0.22 -0.50 1.11 4.81 -1.16 -1.43 114.58 117.48 2pu8 h GLU 328 Ca -0.01 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2pu8 h GLU 328 Cb 0.13 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2pu8 h GLU 328 CO 0.01 0.14 -0.01 0.93 -0.73 0.00 0.00 179.01 179.35 2pu8 h GLU 329 N 0.22 0.90 -0.43 1.92 5.08 -1.23 -2.38 114.58 118.66 2pu8 h GLU 329 Ca 0.19 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2pu8 h GLU 329 Cb 0.21 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2pu8 h GLU 329 CO -0.24 0.93 0.08 0.00 -1.00 0.00 0.00 179.01 178.79 2pu8 h ALA 330 N 0.93 0.47 -0.61 3.43 0.00 -0.67 0.12 119.26 122.93 2pu8 h ALA 330 Ca 0.14 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2pu8 h ALA 330 Cb 0.54 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2pu8 h ALA 330 CO 0.03 -0.32 0.03 0.82 0.00 0.00 0.00 179.25 179.82 2pu8 h ILE 331 N 0.22 1.26 -0.24 0.00 1.08 -1.15 0.71 117.51 119.39 2pu8 h ILE 331 Ca 0.21 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 2pu8 h ILE 331 Cb 0.26 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2pu8 h ILE 331 CO -0.27 0.40 0.11 1.23 -0.69 0.00 0.00 178.15 178.93 2pu8 h GLY 332 N 1.01 0.37 1.29 5.37 0.00 -0.98 -2.02 103.07 108.11 2pu8 h GLY 332 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2pu8 h GLY 332 CO 0.02 0.18 0.37 0.74 0.00 0.00 0.00 176.54 177.85 2pu8 h PHE 333 N 0.25 0.91 -0.79 5.60 0.04 -0.61 -2.07 116.94 120.27 2pu8 h PHE 333 Ca 0.08 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.89 2pu8 h PHE 333 Cb 0.14 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 2pu8 h PHE 333 CO -0.02 0.63 0.48 0.00 -0.60 0.00 0.00 178.31 178.81 2pu8 h ALA 334 N 1.47 1.06 -0.58 2.45 0.00 -0.67 -1.56 119.26 121.44 2pu8 h ALA 334 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pu8 h ALA 334 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2pu8 h ALA 334 CO -0.04 0.24 0.08 0.78 0.00 0.00 0.00 179.25 180.31 2pu8 h GLY 335 N 0.91 1.04 0.70 0.00 0.00 -0.97 0.37 103.07 105.12 2pu8 h GLY 335 Ca 0.33 -0.71 0.04 0.00 0.00 0.00 0.00 47.33 46.99 2pu8 h GLY 335 CO -0.15 0.65 0.06 0.00 0.00 0.00 0.00 176.54 177.10 2pu8 h GLU 337 N 0.17 0.99 -0.46 0.00 4.57 -1.05 0.40 114.58 119.20 2pu8 h GLU 337 Ca 0.13 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2pu8 h GLU 337 Cb 0.12 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 2pu8 h GLU 337 CO -0.16 0.74 0.22 -0.07 -1.18 0.00 0.00 179.01 178.56 2pu8 h LEU 338 N 0.98 0.30 -0.07 1.64 3.38 -0.74 -1.86 115.31 118.93 2pu8 h LEU 338 Ca 0.25 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2pu8 h LEU 338 Cb 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pu8 h LEU 338 CO -0.04 0.21 -0.08 0.40 0.09 0.00 0.00 178.44 179.02 2pu8 h ILE 339 N 0.43 1.38 -0.64 1.22 2.04 -1.17 -3.22 117.51 117.56 2pu8 h ILE 339 Ca 0.20 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.87 2pu8 h ILE 339 Cb 0.13 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2pu8 h ILE 339 CO -0.16 0.35 0.30 -0.09 0.00 0.00 0.00 178.15 178.56 2pu8 h ARG 340 N -0.26 0.53 0.00 2.37 1.12 -0.85 -2.08 114.38 115.21 2pu8 h ARG 340 Ca 0.01 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2pu8 h ARG 340 Cb 0.61 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2pu8 h ARG 340 CO 0.02 0.35 0.00 0.00 -3.11 0.00 0.00 179.97 177.23 2pu8 h ARG 341 N 0.55 0.00 0.13 0.20 2.47 -1.42 -1.12 114.38 115.19 2pu8 h ARG 341 Ca 0.31 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.70 2pu8 h ARG 341 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2pu8 h ARG 341 CO -0.24 0.00 -1.69 1.15 0.56 0.00 0.00 179.97 179.75 2pu8 h THR 342 N 0.00 0.86 0.00 2.04 2.02 -1.40 -3.29 112.91 113.15 2pu8 h THR 342 Ca 0.00 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2pu8 h THR 342 Cb 0.62 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 2pu8 h THR 342 CO 0.00 0.79 0.00 2.30 0.37 0.00 0.00 175.52 178.98 2pu8 n ILE 343 N -3.73 0.00 -1.94 3.11 -5.35 -0.93 -4.82 119.36 105.71 2pu8 n ILE 343 Ca -0.28 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 61.78 2pu8 n ILE 343 Cb 0.98 1.22 0.02 0.00 -1.74 0.00 0.00 39.64 40.12 2pu8 n ILE 343 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pu8 n GLY 344 N 0.05 0.15 0.13 3.28 0.00 -0.42 -0.72 105.19 107.66 2pu8 n GLY 344 Ca 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 2pu8 n GLY 344 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pu8 h LEU 345 N 0.00 0.32 -8.26 0.99 5.85 -1.70 -3.10 115.31 109.41 2pu8 h LEU 345 Ca -0.05 -0.07 -0.74 0.00 0.84 0.00 0.00 57.88 57.86 2pu8 h LEU 345 Cb 0.18 -0.08 -0.23 0.00 0.37 0.00 0.00 40.66 40.90 2pu8 h LEU 345 CO 0.05 0.29 -0.33 0.00 -0.34 0.00 0.00 178.44 178.11 2pu8 s ALA 346 N -5.94 3.55 0.69 1.25 0.00 -1.26 -4.89 121.76 115.15 2pu8 s ALA 346 Ca -0.13 -2.17 -0.05 0.00 0.00 0.00 0.00 51.96 49.61 2pu8 s ALA 346 Cb 0.09 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 20.22 2pu8 s ALA 346 CO 0.71 -1.76 0.98 -1.01 0.00 0.00 0.00 175.76 174.68 2pu8 s HIS 347 N 1.61 2.63 0.01 0.00 3.76 -1.26 -4.34 115.29 117.70 2pu8 s HIS 347 Ca 0.04 0.23 0.07 0.00 -0.15 0.00 0.00 55.06 55.25 2pu8 s HIS 347 Cb -0.25 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.27 2pu8 s HIS 347 CO 0.06 -1.42 -0.19 0.14 -0.85 0.00 0.00 174.74 172.48 2pu8 s VAL 348 N -3.17 2.70 0.54 -0.90 -7.23 -1.24 -5.03 120.40 106.07 2pu8 s VAL 348 Ca 0.61 -1.10 0.22 0.00 -1.81 0.00 0.00 61.98 59.91 2pu8 s VAL 348 Cb -0.09 -2.09 0.30 0.00 0.56 0.00 0.00 36.38 35.06 2pu8 s VAL 348 CO 0.44 0.42 2.19 0.00 -0.31 0.00 0.00 175.10 177.84 2pu8 h ALA 349 N 4.85 1.76 -0.61 1.32 0.00 -1.97 -2.57 119.26 122.04 2pu8 h ALA 349 Ca -0.47 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2pu8 h ALA 349 Cb 1.15 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2pu8 h ALA 349 CO 0.48 0.01 0.20 -0.44 0.00 0.00 0.00 179.25 179.50 2pu8 h ASP 350 N 0.00 0.16 0.21 0.00 5.19 -1.93 -2.37 116.42 117.67 2pu8 h ASP 350 Ca -0.00 0.09 -0.35 0.00 -0.62 0.00 0.00 57.03 56.15 2pu8 h ASP 350 Cb 0.02 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2pu8 h ASP 350 CO 0.00 0.09 -1.90 -0.07 -3.12 0.00 0.00 179.24 174.24 2pu8 h LEU 351 N 0.36 0.37 -1.43 1.55 3.38 -1.78 -3.34 115.31 114.42 2pu8 h LEU 351 Ca 0.31 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 2pu8 h LEU 351 Cb 0.42 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2pu8 h LEU 351 CO -0.34 1.69 -0.15 0.44 0.09 0.00 0.00 178.44 180.17 2pu8 h ASP 352 N 0.06 0.00 -0.02 -0.43 3.45 -1.45 -2.95 116.42 115.08 2pu8 h ASP 352 Ca -0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.08 2pu8 h ASP 352 Cb 2.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.81 2pu8 h ASP 352 CO 0.10 0.15 -0.08 0.35 -1.57 0.00 0.00 179.24 178.19 2pu8 n THR 353 N -3.38 0.00 -1.69 0.35 -2.24 -0.90 -4.93 114.28 101.49 2pu8 n THR 353 Ca -0.00 -0.42 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 2pu8 n THR 353 Cb 0.35 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 2pu8 n THR 353 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2pu8 n ILE 354 N 0.95 0.31 -4.22 2.28 5.41 -1.12 -5.02 119.36 117.95 2pu8 n ILE 354 Ca 0.14 -0.08 -0.20 0.00 1.00 0.00 0.00 62.75 63.61 2pu8 n ILE 354 Cb 0.54 -1.71 -0.12 0.00 -0.71 0.00 0.00 39.64 37.64 2pu8 n ILE 354 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2pu8 s VAL 355 N 0.68 1.36 1.04 1.39 -7.23 -1.26 -4.52 120.40 111.85 2pu8 s VAL 355 Ca 0.74 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 59.28 2pu8 s VAL 355 Cb -0.60 -1.31 0.25 0.00 0.56 0.00 0.00 36.38 35.28 2pu8 s VAL 355 CO 0.40 -0.20 1.02 -0.81 -0.31 0.00 0.00 175.10 175.20 2pu8 n PRO 356 N 1.09 -2.48 -0.12 4.82 -0.04 -1.26 -4.83 135.00 132.18 2pu8 n PRO 356 Ca -0.20 -1.61 -0.05 0.00 -0.04 0.00 0.00 63.50 61.59 2pu8 n PRO 356 Cb 0.54 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2pu8 n PRO 356 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2pu8 h PHE 357 N -2.37 0.26 -0.91 0.54 3.04 -2.00 -1.73 116.94 113.76 2pu8 h PHE 357 Ca -0.37 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.65 2pu8 h PHE 357 Cb 1.10 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.49 2pu8 h PHE 357 CO 0.00 0.10 0.60 -0.44 -2.02 0.00 0.00 178.31 176.55 2pu8 h ASP 358 N 0.31 0.95 -0.48 0.41 3.32 -1.97 -0.95 116.42 118.02 2pu8 h ASP 358 Ca 0.18 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2pu8 h ASP 358 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2pu8 h ASP 358 CO -0.18 0.64 -0.08 0.50 -1.72 0.00 0.00 179.24 178.40 2pu8 h LYS 359 N 1.10 0.94 -0.23 3.56 3.64 -1.82 -2.31 116.57 121.44 2pu8 h LYS 359 Ca 0.38 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2pu8 h LYS 359 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2pu8 h LYS 359 CO -0.13 0.98 0.15 -0.09 -2.27 0.00 0.00 179.45 178.09 2pu8 h ARG 360 N 0.85 0.30 -0.69 1.90 2.43 -0.38 -1.33 114.38 117.46 2pu8 h ARG 360 Ca 0.14 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2pu8 h ARG 360 Cb 0.61 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 2pu8 h ARG 360 CO 0.04 0.20 0.45 0.82 -1.51 0.00 0.00 179.97 179.97 2pu8 h ILE 361 N 0.31 1.16 -0.42 1.20 1.08 -1.17 -1.51 117.51 118.17 2pu8 h ILE 361 Ca 0.09 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 2pu8 h ILE 361 Cb -0.03 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.86 2pu8 h ILE 361 CO -0.02 0.17 0.22 1.23 -0.69 0.00 0.00 178.15 179.06 2pu8 h GLY 362 N 0.92 0.63 1.83 5.37 0.00 -1.12 -1.01 103.07 109.70 2pu8 h GLY 362 Ca 0.26 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2pu8 h GLY 362 CO -0.07 0.28 -0.50 3.21 0.00 0.00 0.00 176.54 179.46 2pu8 h ARG 363 N 0.54 0.18 -0.26 4.80 2.47 -1.14 -2.39 114.38 118.59 2pu8 h ARG 363 Ca 0.15 -0.10 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 2pu8 h ARG 363 Cb 0.07 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2pu8 h ARG 363 CO -0.02 0.64 -0.43 0.87 0.56 0.00 0.00 179.97 181.59 2pu8 h LYS 364 N 0.14 0.64 -0.35 0.04 1.57 -1.09 -1.67 116.57 115.85 2pu8 h LYS 364 Ca 0.00 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.46 2pu8 h LYS 364 Cb 0.94 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2pu8 h LYS 364 CO 0.07 0.95 0.18 -0.09 -0.57 0.00 0.00 179.45 180.00 2pu8 h ARG 365 N 0.52 0.37 -0.85 3.15 2.43 -1.03 -2.51 114.38 116.46 2pu8 h ARG 365 Ca 0.04 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2pu8 h ARG 365 Cb 0.96 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2pu8 h ARG 365 CO 0.09 0.24 0.55 -0.07 -1.51 0.00 0.00 179.97 179.27 2pu8 h LEU 366 N 0.38 0.98 -0.88 3.80 3.38 -1.30 -0.49 115.31 121.18 2pu8 h LEU 366 Ca 0.15 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2pu8 h LEU 366 Cb 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2pu8 h LEU 366 CO -0.09 0.72 0.56 0.00 0.09 0.00 0.00 178.44 179.71 2pu8 h ALA 367 N 1.30 1.17 -0.47 1.53 0.00 -1.19 0.31 119.26 121.92 2pu8 h ALA 367 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2pu8 h ALA 367 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2pu8 h ALA 367 CO -0.07 0.39 0.17 -0.07 0.00 0.00 0.00 179.25 179.67 2pu8 h LEU 368 N 1.07 0.67 -0.24 0.00 3.38 -1.07 -1.11 115.31 118.01 2pu8 h LEU 368 Ca 0.36 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2pu8 h LEU 368 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2pu8 h LEU 368 CO -0.13 0.68 -0.16 -0.33 0.09 0.00 0.00 178.44 178.58 2pu8 h GLU 369 N 0.63 0.53 -0.55 1.13 5.08 -0.64 -1.60 114.58 119.16 2pu8 h GLU 369 Ca 0.16 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2pu8 h GLU 369 Cb 0.23 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2pu8 h GLU 369 CO -0.01 0.82 -0.09 1.79 -1.00 0.00 0.00 179.01 180.52 2pu8 h THR 370 N 0.24 1.27 -0.57 1.13 1.35 -0.44 -2.23 112.91 113.66 2pu8 h THR 370 Ca 0.05 -1.25 0.01 0.00 -0.55 0.00 0.00 66.41 64.66 2pu8 h THR 370 Cb 0.69 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2pu8 h THR 370 CO 0.04 0.44 0.37 1.23 -0.25 0.00 0.00 175.52 177.36 2pu8 h GLY 371 N 0.91 0.81 0.98 5.82 0.00 -1.20 -0.58 103.07 109.81 2pu8 h GLY 371 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2pu8 h GLY 371 CO 0.05 0.28 0.26 -0.84 0.00 0.00 0.00 176.54 176.29 2pu8 h THR 372 N 0.76 1.18 -0.30 4.70 2.02 -1.22 -2.25 112.91 117.80 2pu8 h THR 372 Ca 0.21 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2pu8 h THR 372 Cb -0.07 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2pu8 h THR 372 CO -0.05 0.19 0.12 0.00 0.37 0.00 0.00 175.52 176.15 2pu8 h ALA 373 N 1.10 0.39 -0.30 6.16 0.00 -1.15 -1.69 119.26 123.77 2pu8 h ALA 373 Ca 0.17 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2pu8 h ALA 373 Cb 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2pu8 h ALA 373 CO -0.03 -0.01 -0.16 0.74 0.00 0.00 0.00 179.25 179.80 2pu8 h PHE 374 N 0.34 -0.39 -0.13 0.00 -1.00 -1.03 0.13 116.94 114.86 2pu8 h PHE 374 Ca 0.10 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.93 2pu8 h PHE 374 Cb 0.18 0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 2pu8 h PHE 374 CO -0.01 -0.23 0.01 0.82 -1.61 0.00 0.00 178.31 177.30 2pu8 h ILE 375 N -0.12 0.93 -0.11 -0.55 2.04 -1.27 -1.39 117.51 117.04 2pu8 h ILE 375 Ca 0.16 -0.02 -0.19 0.00 1.00 0.00 0.00 64.86 65.81 2pu8 h ILE 375 Cb 0.36 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2pu8 h ILE 375 CO -0.38 0.01 -0.71 -0.33 0.00 0.00 0.00 178.15 176.74 2pu8 h GLU 376 N 0.06 0.51 -0.45 2.37 5.08 -1.05 -3.29 114.58 117.81 2pu8 h GLU 376 Ca 0.06 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2pu8 h GLU 376 Cb 0.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2pu8 h GLU 376 CO -0.09 1.03 0.00 1.63 -1.00 0.00 0.00 179.01 180.58 2pu8 n LYS 377 N -3.88 2.54 -0.26 2.33 5.02 0.44 -4.67 118.16 119.68 2pu8 n LYS 377 Ca -0.05 -2.36 0.23 0.00 -2.02 0.00 0.00 58.31 54.12 2pu8 n LYS 377 Cb 0.70 -1.52 0.58 0.00 -0.02 0.00 0.00 35.03 34.77 2pu8 n LYS 377 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2pu8 h ARG 378 N 4.39 0.27 -0.00 1.97 0.11 -1.32 0.95 114.38 120.75 2pu8 h ARG 378 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2pu8 h ARG 378 Cb 0.98 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2pu8 h ARG 378 CO 0.00 0.18 -0.20 -1.13 0.10 0.00 0.00 179.97 178.92 2pu8 n SER 379 N -4.46 0.44 -0.01 0.08 3.41 -1.26 -3.92 113.62 107.89 2pu8 n SER 379 Ca 0.21 -0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.47 2pu8 n SER 379 Cb 0.85 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.62 2pu8 n SER 379 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pu8 n GLU 380 N -1.17 0.64 -2.03 4.33 1.02 0.32 -4.90 120.64 118.86 2pu8 n GLU 380 Ca 0.10 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 57.02 2pu8 n GLU 380 Cb 0.31 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 2pu8 n GLU 380 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2pu8 s PHE 381 N -2.76 2.88 -0.20 -0.32 0.40 -1.21 -4.96 117.98 111.81 2pu8 s PHE 381 Ca -0.05 1.36 0.03 0.00 -0.60 0.00 0.00 56.93 57.67 2pu8 s PHE 381 Cb 0.08 -3.76 -0.15 0.00 0.51 0.00 0.00 43.02 39.71 2pu8 s PHE 381 CO 0.82 -2.18 -0.15 1.63 0.70 0.00 0.00 175.22 176.04 2pu8 n LYS 382 N 0.53 0.64 -4.32 0.44 5.02 -1.26 -4.99 118.16 114.22 2pu8 n LYS 382 Ca 0.01 0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 2pu8 n LYS 382 Cb 0.42 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 2pu8 n LYS 382 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pu8 s THR 383 N -2.42 1.05 0.40 -0.18 -4.23 -1.26 -5.04 115.64 103.96 2pu8 s THR 383 Ca -0.26 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.31 2pu8 s THR 383 Cb 0.07 -2.29 0.20 0.00 1.34 0.00 0.00 72.50 71.82 2pu8 s THR 383 CO 0.51 -0.37 1.98 -0.29 -0.54 0.00 0.00 174.62 175.91 2pu8 h ILE 384 N 2.51 1.14 0.00 2.99 6.09 -1.97 -2.59 117.51 125.67 2pu8 h ILE 384 Ca -0.38 -0.53 -0.08 0.00 -1.37 0.00 0.00 64.86 62.50 2pu8 h ILE 384 Cb 1.22 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.46 2pu8 h ILE 384 CO 0.64 0.18 -0.40 0.71 -3.07 0.00 0.00 178.15 176.21 2pu8 h THR 385 N 0.32 1.28 -0.68 2.19 1.35 -1.96 -1.78 112.91 113.63 2pu8 h THR 385 Ca 0.07 -1.37 0.06 0.00 -0.55 0.00 0.00 66.41 64.62 2pu8 h THR 385 Cb 0.21 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.31 2pu8 h THR 385 CO 0.00 0.39 0.39 0.44 -0.25 0.00 0.00 175.52 176.49 2pu8 h ASP 386 N 0.00 0.59 -0.04 5.36 3.32 -1.88 0.68 116.42 124.45 2pu8 h ASP 386 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pu8 h ASP 386 Cb 0.71 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2pu8 h ASP 386 CO 0.05 0.38 0.00 0.58 -1.72 0.00 0.00 179.24 178.54 2pu8 h VAL 387 N 0.72 1.23 -0.75 -1.35 2.07 -1.40 -1.60 116.25 115.17 2pu8 h VAL 387 Ca 0.30 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2pu8 h VAL 387 Cb 0.17 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2pu8 h VAL 387 CO -0.17 0.19 0.48 0.40 0.02 0.00 0.00 177.57 178.48 2pu8 h ILE 388 N -0.20 1.12 -0.27 4.57 2.04 -1.17 -1.28 117.51 122.32 2pu8 h ILE 388 Ca 0.01 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 2pu8 h ILE 388 Cb 0.30 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2pu8 h ILE 388 CO 0.00 0.17 -0.42 -0.33 0.00 0.00 0.00 178.15 177.57 2pu8 h GLU 389 N 0.94 0.65 -0.14 2.37 4.39 -0.82 -0.96 114.58 121.01 2pu8 h GLU 389 Ca 0.30 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2pu8 h GLU 389 Cb -0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2pu8 h GLU 389 CO -0.10 0.95 0.07 1.25 -1.16 0.00 0.00 179.01 180.02 2pu8 h LEU 390 N 0.53 0.18 -0.10 1.33 5.85 -1.13 -2.29 115.31 119.69 2pu8 h LEU 390 Ca 0.04 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2pu8 h LEU 390 Cb 0.95 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 2pu8 h LEU 390 CO 0.09 0.25 -0.20 0.15 -0.34 0.00 0.00 178.44 178.39 2pu8 h PHE 391 N 0.10 -0.52 -0.63 1.25 3.04 -1.06 -1.62 116.94 117.49 2pu8 h PHE 391 Ca 0.05 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.13 2pu8 h PHE 391 Cb 0.12 0.24 -0.08 0.00 2.56 0.00 0.00 35.95 38.79 2pu8 h PHE 391 CO -0.03 -0.28 0.20 0.87 -2.02 0.00 0.00 178.31 177.05 2pu8 h LYS 392 N -0.27 0.34 -0.49 1.11 1.57 -1.15 -1.48 116.57 116.20 2pu8 h LYS 392 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2pu8 h LYS 392 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2pu8 h LYS 392 CO -0.25 0.22 0.28 -0.07 -0.57 0.00 0.00 179.45 179.06 2pu8 h LEU 393 N 0.35 0.61 -1.51 2.94 3.38 -1.05 -2.50 115.31 117.53 2pu8 h LEU 393 Ca 0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 2pu8 h LEU 393 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2pu8 h LEU 393 CO -0.37 0.51 -0.24 -0.07 0.09 0.00 0.00 178.44 178.36 2pu8 h LEU 394 N 0.66 0.00 -2.47 1.67 3.38 -0.53 -3.08 115.31 114.93 2pu8 h LEU 394 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pu8 h LEU 394 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pu8 h LEU 394 CO -0.03 0.24 0.00 1.33 0.09 0.00 0.00 178.44 180.07 2pu8 n VAL 395 N -3.80 0.69 0.00 1.22 0.24 -0.63 -5.02 118.33 111.03 2pu8 n VAL 395 Ca -0.02 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 2pu8 n VAL 395 Cb 0.34 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 2pu8 n VAL 395 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98