#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 -9.28 2.45 -0.00 -2.04 -3.46 115.31 102.99 2pu8 h LEU 8 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.33 2pu8 h LEU 8 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2pu8 h LEU 8 CO 0.00 0.00 0.92 -0.47 -0.00 0.00 0.00 178.44 178.89 2pu8 s TYR 9 N -3.22 2.61 -0.04 1.13 5.04 -1.26 -4.73 117.35 116.88 2pu8 s TYR 9 Ca 0.08 0.70 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 2pu8 s TYR 9 Cb 0.08 -3.68 0.02 0.00 0.35 0.00 0.00 41.96 38.73 2pu8 s TYR 9 CO 0.62 -2.61 -0.05 -1.21 -1.34 0.00 0.00 175.55 170.95 2pu8 s GLU 10 N 3.16 0.83 0.11 4.97 8.01 -1.26 -5.08 118.70 129.44 2pu8 s GLU 10 Ca 0.64 -0.14 -0.31 0.00 0.01 0.00 0.00 54.97 55.17 2pu8 s GLU 10 Cb -0.29 -0.82 -0.08 0.00 -4.31 0.00 0.00 34.13 28.63 2pu8 s GLU 10 CO 0.24 -0.04 1.36 -0.08 0.01 0.00 0.00 175.26 176.75 2pu8 s THR 11 N 0.74 3.39 0.59 3.63 -1.32 -1.26 -5.01 115.64 116.40 2pu8 s THR 11 Ca -0.10 1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.29 2pu8 s THR 11 Cb -0.13 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.18 2pu8 s THR 11 CO 0.00 0.08 0.97 -0.76 -2.21 0.00 0.00 174.62 172.71 2pu8 s LEU 12 N 1.04 3.31 0.38 9.08 1.43 -1.26 -5.08 118.68 127.58 2pu8 s LEU 12 Ca 0.63 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 55.06 2pu8 s LEU 12 Cb -0.36 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2pu8 s LEU 12 CO 0.30 -0.82 0.12 0.54 0.23 0.00 0.00 176.35 176.72 2pu8 s ASN 13 N -4.17 2.53 0.39 2.29 2.20 -1.26 -4.99 114.94 111.92 2pu8 s ASN 13 Ca 0.53 -1.61 0.15 0.00 -0.94 0.00 0.00 52.86 51.00 2pu8 s ASN 13 Cb -0.11 0.39 1.01 0.00 -2.00 0.00 0.00 41.25 40.54 2pu8 s ASN 13 CO 0.52 -0.87 1.83 -0.33 -2.94 0.00 0.00 177.10 175.30 2pu8 h GLU 14 N 1.91 0.47 0.10 3.55 3.07 -1.99 -0.37 114.58 121.32 2pu8 h GLU 14 Ca -0.36 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.32 2pu8 h GLU 14 Cb 1.26 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 29.08 2pu8 h GLU 14 CO 0.58 0.31 -0.65 1.03 -1.40 0.00 0.00 179.01 178.88 2pu8 h SER 15 N 0.49 0.40 0.39 1.42 0.87 -1.96 -3.03 113.55 112.13 2pu8 h SER 15 Ca 0.51 -0.93 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 2pu8 h SER 15 Cb 1.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2pu8 h SER 15 CO -0.23 1.30 -0.24 0.77 -0.53 0.00 0.00 176.83 177.90 2pu8 h SER 16 N -0.43 0.00 -0.34 6.23 4.64 -1.88 -2.12 113.55 119.66 2pu8 h SER 16 Ca -0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 2pu8 h SER 16 Cb 1.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 2pu8 h SER 16 CO 0.12 0.24 0.03 0.00 -0.87 0.00 0.00 176.83 176.35 2pu8 h ALA 17 N 1.76 0.45 -0.53 5.18 0.00 -1.13 -1.52 119.26 123.48 2pu8 h ALA 17 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2pu8 h ALA 17 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2pu8 h ALA 17 CO 0.03 0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.64 2pu8 h VAL 18 N 0.40 1.27 -0.70 0.00 2.07 -1.39 -1.94 116.25 115.95 2pu8 h VAL 18 Ca 0.10 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.40 2pu8 h VAL 18 Cb 0.40 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2pu8 h VAL 18 CO 0.01 0.44 0.45 0.00 0.02 0.00 0.00 177.57 178.49 2pu8 h ALA 19 N 0.99 0.92 -0.39 1.67 0.00 -1.32 -2.31 119.26 118.83 2pu8 h ALA 19 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2pu8 h ALA 19 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2pu8 h ALA 19 CO 0.05 0.24 -0.04 1.25 0.00 0.00 0.00 179.25 180.74 2pu8 h LEU 20 N 0.88 0.71 -0.94 0.00 5.85 -1.09 -1.24 115.31 119.47 2pu8 h LEU 20 Ca 0.28 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.78 2pu8 h LEU 20 Cb -0.01 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 2pu8 h LEU 20 CO -0.10 0.87 0.58 0.00 -0.34 0.00 0.00 178.44 179.45 2pu8 h ALA 21 N 0.86 1.40 -0.19 1.25 0.00 -1.18 -2.20 119.26 119.20 2pu8 h ALA 21 Ca 0.10 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2pu8 h ALA 21 Cb 0.54 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pu8 h ALA 21 CO 0.03 0.18 -0.58 0.28 0.00 0.00 0.00 179.25 179.16 2pu8 h VAL 22 N 0.93 1.30 0.00 0.00 2.07 -1.31 -2.87 116.25 116.37 2pu8 h VAL 22 Ca 0.46 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2pu8 h VAL 22 Cb 0.45 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2pu8 h VAL 22 CO -0.26 0.57 0.00 0.11 0.02 0.00 0.00 177.57 178.01 2pu8 h LYS 23 N 0.44 0.00 -0.01 1.57 6.56 -0.72 -1.40 116.57 123.00 2pu8 h LYS 23 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2pu8 h LYS 23 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2pu8 h LYS 23 CO 0.12 0.00 -0.53 1.28 -2.06 0.00 0.00 179.45 178.27 2pu8 n LEU 24 N -2.37 1.63 -0.05 2.94 4.77 -0.87 -4.98 117.00 118.06 2pu8 n LEU 24 Ca -0.00 -0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 55.37 2pu8 n LEU 24 Cb 0.12 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2pu8 n LEU 24 CO 0.15 0.32 -0.01 0.61 -1.33 0.00 0.00 177.39 177.13 2pu8 n GLY 25 N 1.42 0.45 0.00 -0.72 0.00 -0.53 -5.11 105.19 100.70 2pu8 n GLY 25 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2pu8 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu8 n LEU 26 N -0.08 0.62 0.00 0.99 4.77 -1.09 -5.05 117.00 117.16 2pu8 n LEU 26 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2pu8 n LEU 26 Cb 0.03 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2pu8 n LEU 26 CO 0.01 -0.24 0.00 0.41 -1.33 0.00 0.00 177.39 176.24 2pu8 n THR 34 N -1.67 0.00 -3.83 -5.08 -1.04 -1.26 -4.75 114.28 96.64 2pu8 n THR 34 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2pu8 n THR 34 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 2pu8 n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pu8 s GLN 36 N 1.06 1.26 -0.11 0.00 1.11 -0.75 -4.95 119.66 117.29 2pu8 s GLN 36 Ca -0.09 -0.28 -0.30 0.00 0.01 0.00 0.00 55.36 54.70 2pu8 s GLN 36 Cb -0.13 -1.11 -0.03 0.00 -1.01 0.00 0.00 33.01 30.73 2pu8 s GLN 36 CO -0.02 -0.00 1.25 -2.00 0.01 0.00 0.00 175.29 174.53 2pu8 s GLU 37 N 0.69 4.29 -0.05 2.91 -6.30 -1.26 -1.81 118.70 117.16 2pu8 s GLU 37 Ca -0.12 1.70 0.07 0.00 -2.50 0.00 0.00 54.97 54.12 2pu8 s GLU 37 Cb -0.14 -3.67 0.11 0.00 0.00 0.00 0.00 34.13 30.43 2pu8 s GLU 37 CO 0.02 -0.59 0.98 0.44 0.02 0.00 0.00 175.26 176.13 2pu8 n ILE 38 N 5.01 0.99 0.00 -3.70 -5.35 0.35 -5.00 119.36 111.66 2pu8 n ILE 38 Ca 0.13 -1.14 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2pu8 n ILE 38 Cb 0.45 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 -0.68 -2.22 0.00 3.28 0.00 -1.25 -4.90 105.19 99.41 2pu8 n GLY 39 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2pu8 n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu8 n LEU 43 N 0.00 0.00 -4.16 0.99 4.77 -1.26 -4.97 117.00 112.37 2pu8 n LEU 43 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 2pu8 n LEU 43 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2pu8 n LEU 43 CO 0.00 0.00 -0.50 0.20 -1.33 0.00 0.00 177.39 175.76 2pu8 s ASN 44 N 0.00 2.14 0.02 -1.43 0.01 -1.26 -1.24 114.94 113.17 2pu8 s ASN 44 Ca 0.00 -0.34 -0.19 0.00 -0.71 0.00 0.00 52.86 51.63 2pu8 s ASN 44 Cb 0.00 -0.41 -0.06 0.00 0.41 0.00 0.00 41.25 41.20 2pu8 s ASN 44 CO 0.00 0.19 0.53 -0.31 -1.51 0.00 0.00 177.10 176.00 2pu8 s TYR 45 N -0.21 3.73 -0.21 2.20 4.12 0.47 -4.96 117.35 122.50 2pu8 s TYR 45 Ca 0.02 1.16 0.00 0.00 0.02 0.00 0.00 57.07 58.27 2pu8 s TYR 45 Cb -0.09 -2.49 0.05 0.00 -1.52 0.00 0.00 41.96 37.91 2pu8 s TYR 45 CO 0.01 0.49 -0.06 0.08 0.02 0.00 0.00 175.55 176.09 2pu8 s VAL 46 N -0.67 1.42 -0.37 0.71 1.01 -1.26 -0.68 120.40 120.56 2pu8 s VAL 46 Ca 0.28 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2pu8 s VAL 46 Cb -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2pu8 s VAL 46 CO 0.16 0.01 0.25 -0.36 0.00 0.00 0.00 175.10 175.16 2pu8 s PHE 47 N 1.47 3.23 -0.18 5.22 0.08 0.25 -0.50 117.98 127.55 2pu8 s PHE 47 Ca -0.03 -0.49 -0.24 0.00 0.12 0.00 0.00 56.93 56.29 2pu8 s PHE 47 Cb -0.17 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 2pu8 s PHE 47 CO -0.07 -0.50 0.77 -1.58 -0.10 0.00 0.00 175.22 173.74 2pu8 s HIS 48 N 1.67 3.40 0.00 0.36 5.65 -0.75 -0.74 115.29 124.89 2pu8 s HIS 48 Ca 0.05 1.15 0.00 0.00 0.25 0.00 0.00 55.06 56.51 2pu8 s HIS 48 Cb -0.18 -2.95 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 2pu8 s HIS 48 CO 0.09 -0.23 0.00 -0.89 -0.65 0.00 0.00 174.74 173.06 2pu8 n ILE 49 N 4.76 0.00 0.00 0.89 5.41 -0.29 -1.81 119.36 128.31 2pu8 n ILE 49 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2pu8 n ILE 49 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2pu8 n ILE 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2pu8 n ARG 56 N 0.00 0.00 -4.01 0.38 0.63 -1.26 -1.21 116.66 111.20 2pu8 n ARG 56 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2pu8 n ARG 56 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2pu8 n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2pu8 s ALA 57 N 0.00 -0.09 -0.02 5.13 0.00 -1.26 -5.68 121.76 119.84 2pu8 s ALA 57 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2pu8 s ALA 57 Cb 0.00 1.08 0.07 0.00 0.00 0.00 0.00 23.12 24.27 2pu8 s ALA 57 CO 0.00 -0.81 0.66 -1.17 0.00 0.00 0.00 175.76 174.44 2pu8 s LEU 58 N -3.02 -0.62 -0.11 0.00 2.96 -0.35 -4.51 118.68 113.03 2pu8 s LEU 58 Ca 0.23 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 2pu8 s LEU 58 Cb 0.00 2.53 0.00 0.00 0.50 0.00 0.00 46.19 49.23 2pu8 s LEU 58 CO 0.08 -0.66 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.59 2pu8 s ILE 59 N -1.58 2.01 -0.30 6.68 -1.09 -0.47 -1.14 121.20 125.31 2pu8 s ILE 59 Ca -0.09 -0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 57.33 2pu8 s ILE 59 Cb -0.00 -1.76 0.05 0.00 -1.58 0.00 0.00 42.46 39.17 2pu8 s ILE 59 CO 0.06 0.55 0.01 -0.63 -1.23 0.00 0.00 174.94 173.70 2pu8 s ILE 60 N 0.53 3.09 -0.07 2.92 1.01 0.08 -0.77 121.20 127.99 2pu8 s ILE 60 Ca -0.14 -1.34 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 2pu8 s ILE 60 Cb -0.17 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2pu8 s ILE 60 CO 0.05 -0.11 0.31 -0.75 0.00 0.00 0.00 174.94 174.44 2pu8 s LYS 61 N 1.27 3.89 -0.02 2.79 2.20 -0.28 -0.58 119.74 129.02 2pu8 s LYS 61 Ca -0.05 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2pu8 s LYS 61 Cb -0.20 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2pu8 s LYS 61 CO -0.01 0.59 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.43 2pu8 s GLN 62 N -0.63 0.18 0.23 4.03 0.74 0.14 -1.09 119.66 123.27 2pu8 s GLN 62 Ca 0.20 0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.36 2pu8 s GLN 62 Cb -0.15 -0.32 -0.09 0.00 1.10 0.00 0.00 33.01 33.56 2pu8 s GLN 62 CO 0.09 -0.08 1.02 0.00 -0.55 0.00 0.00 175.29 175.76 2pu8 s ALA 63 N 0.67 3.36 -0.09 1.58 0.00 -0.78 -0.39 121.76 126.10 2pu8 s ALA 63 Ca -0.06 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 2pu8 s ALA 63 Cb -0.09 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2pu8 s ALA 63 CO -0.01 0.00 -0.01 0.14 0.00 0.00 0.00 175.76 175.87 2pu8 s VAL 64 N -0.95 4.17 -0.12 0.00 -7.23 -0.37 -4.90 120.40 111.01 2pu8 s VAL 64 Ca 0.44 -0.29 -0.27 0.00 -1.81 0.00 0.00 61.98 60.04 2pu8 s VAL 64 Cb -0.28 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2pu8 s VAL 64 CO 0.35 0.59 0.89 -2.16 -0.31 0.00 0.00 175.10 174.46 2pu8 s PRO 65 N -0.70 4.39 -0.09 4.82 0.05 -1.26 -4.84 135.00 137.37 2pu8 s PRO 65 Ca 0.11 1.17 0.03 0.00 0.05 0.00 0.00 61.00 62.36 2pu8 s PRO 65 Cb -0.12 -3.53 0.01 0.00 0.05 0.00 0.00 34.50 30.91 2pu8 s PRO 65 CO 0.02 -0.24 -0.18 -2.14 0.05 0.00 0.00 177.00 174.51 2pu8 s PRO 75 N 1.79 2.39 -0.03 0.56 0.02 -1.26 -4.98 135.00 133.49 2pu8 s PRO 75 Ca 0.43 -0.65 0.01 0.00 0.02 0.00 0.00 61.00 60.81 2pu8 s PRO 75 Cb -0.18 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.48 2pu8 s PRO 75 CO 0.17 0.08 -0.01 -0.51 -0.33 0.00 0.00 177.00 176.40 2pu8 s LEU 76 N 0.56 1.33 0.48 -5.54 1.43 -1.26 -5.13 118.68 110.54 2pu8 s LEU 76 Ca -0.15 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2pu8 s LEU 76 Cb -0.17 -0.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 2pu8 s LEU 76 CO 0.05 -0.07 0.95 1.07 0.23 0.00 0.00 176.35 178.58 2pu8 n THR 77 N 3.94 2.70 1.52 5.49 5.66 -1.26 -4.91 114.28 127.43 2pu8 n THR 77 Ca -0.25 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.40 2pu8 n THR 77 Cb 0.52 -1.11 0.79 0.00 -1.55 0.00 0.00 70.33 68.98 2pu8 n THR 77 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2pu8 n ILE 78 N -0.89 0.02 0.29 1.09 -5.35 -1.26 -3.75 119.36 109.50 2pu8 n ILE 78 Ca 0.11 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.74 2pu8 n ILE 78 Cb 0.42 -0.51 0.87 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.00 0.00 -0.75 7.28 3.58 -1.91 -2.25 116.42 122.38 2pu8 h ASP 79 Ca 0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 2pu8 h ASP 79 Cb 0.22 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2pu8 h ASP 79 CO 0.00 0.05 0.57 0.08 -2.88 0.00 0.00 179.24 177.06 2pu8 h ARG 80 N 0.00 0.00 -0.52 0.28 0.11 -1.90 -0.46 114.38 111.89 2pu8 h ARG 80 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2pu8 h ARG 80 Cb 0.18 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 2pu8 h ARG 80 CO 0.01 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 180.07 2pu8 h ALA 81 N 1.57 1.01 -0.09 0.08 0.00 -1.71 0.75 119.26 120.86 2pu8 h ALA 81 Ca 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pu8 h ALA 81 Cb 1.48 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pu8 h ALA 81 CO -0.00 0.61 0.04 -0.09 0.00 0.00 0.00 179.25 179.81 2pu8 h ARG 82 N 0.82 0.14 -0.02 0.00 2.43 -1.27 -2.10 114.38 114.38 2pu8 h ARG 82 Ca 0.15 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2pu8 h ARG 82 Cb 0.50 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 2pu8 h ARG 82 CO 0.02 0.22 -0.21 0.82 -1.51 0.00 0.00 179.97 179.31 2pu8 h ILE 83 N 0.02 0.50 -0.37 1.20 1.08 -1.28 -1.85 117.51 116.81 2pu8 h ILE 83 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2pu8 h ILE 83 Cb 0.13 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 2pu8 h ILE 83 CO -0.00 0.00 0.15 -0.08 -0.69 0.00 0.00 178.15 177.53 2pu8 h GLU 84 N -0.33 0.32 -0.07 2.37 4.81 -0.85 0.15 114.58 120.98 2pu8 h GLU 84 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2pu8 h GLU 84 Cb 0.41 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2pu8 h GLU 84 CO -0.21 0.21 0.02 1.03 -0.73 0.00 0.00 179.01 179.33 2pu8 h SER 85 N 0.33 0.10 -0.86 1.04 0.87 -1.32 -0.38 113.55 113.34 2pu8 h SER 85 Ca 0.16 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2pu8 h SER 85 Cb 0.11 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2pu8 h SER 85 CO -0.14 0.29 0.52 0.28 -0.53 0.00 0.00 176.83 177.25 2pu8 h SER 86 N -0.09 1.02 -0.35 6.23 0.02 -1.16 -1.03 113.55 118.20 2pu8 h SER 86 Ca 0.02 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2pu8 h SER 86 Cb 0.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2pu8 h SER 86 CO -0.00 0.78 0.02 0.00 -1.14 0.00 0.00 176.83 176.49 2pu8 h ALA 87 N 1.28 0.46 -0.87 3.77 0.00 -0.57 -1.08 119.26 122.26 2pu8 h ALA 87 Ca 0.31 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2pu8 h ALA 87 Cb -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2pu8 h ALA 87 CO -0.06 0.20 0.55 -0.07 0.00 0.00 0.00 179.25 179.88 2pu8 h LEU 88 N 0.42 0.89 -0.31 0.00 3.38 -0.85 0.08 115.31 118.91 2pu8 h LEU 88 Ca 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2pu8 h LEU 88 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pu8 h LEU 88 CO 0.01 0.59 0.05 0.40 0.09 0.00 0.00 178.44 179.58 2pu8 h ILE 89 N 1.03 1.24 -0.43 1.22 2.04 -1.05 -0.81 117.51 120.76 2pu8 h ILE 89 Ca 0.36 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2pu8 h ILE 89 Cb 0.10 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2pu8 h ILE 89 CO -0.15 0.27 0.21 0.03 0.00 0.00 0.00 178.15 178.51 2pu8 h ARG 90 N 0.34 0.61 -0.78 2.37 3.08 -0.92 -2.62 114.38 116.46 2pu8 h ARG 90 Ca 0.09 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2pu8 h ARG 90 Cb 0.35 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 2pu8 h ARG 90 CO 0.01 0.53 0.45 1.96 -1.07 0.00 0.00 179.97 181.84 2pu8 h GLN 91 N 0.55 0.76 0.00 0.04 4.20 -0.96 -2.76 115.11 116.94 2pu8 h GLN 91 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2pu8 h GLN 91 Cb 0.12 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2pu8 h GLN 91 CO -0.02 0.50 0.00 0.78 -0.67 0.00 0.00 178.83 179.43 2pu8 h GLY 92 N 0.78 0.00 2.00 3.46 0.00 -0.76 -0.35 103.07 108.20 2pu8 h GLY 92 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 2pu8 h GLY 92 CO -0.22 0.00 -0.46 0.83 0.00 0.00 0.00 176.54 176.70 2pu8 h GLU 93 N 0.00 0.00 0.00 4.80 4.39 -1.31 -3.16 114.58 119.31 2pu8 h GLU 93 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 2pu8 h GLU 93 Cb 0.16 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2pu8 h GLU 93 CO 0.00 0.46 -1.78 0.72 -1.16 0.00 0.00 179.01 177.25 2pu8 n HIS 94 N -3.52 0.00 -3.15 4.33 8.25 -0.93 -4.81 115.22 115.39 2pu8 n HIS 94 Ca -0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2pu8 n HIS 94 Cb 0.57 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.84 1.68 0.29 1.59 0.24 -0.18 -4.94 118.33 114.17 2pu8 n VAL 95 Ca -0.24 -5.07 0.15 0.00 -2.04 0.00 0.00 64.34 57.15 2pu8 n VAL 95 Cb 0.77 -1.39 0.90 0.00 -1.47 0.00 0.00 33.84 32.65 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 3.41 0.00 -0.00 7.34 0.13 -1.74 -1.09 132.00 140.05 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 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2pu8 h PRO 96 CO 0.71 0.02 -0.03 -2.39 -0.23 0.00 0.00 178.00 176.08 2pu8 n HIS 97 N -3.77 0.00 0.01 1.56 1.44 -1.26 -3.91 115.22 109.30 2pu8 n HIS 97 Ca -0.03 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.69 2pu8 n HIS 97 Cb 0.11 -0.20 0.02 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 -1.11 1.80 -4.00 2.39 4.77 -0.41 -4.80 117.00 115.63 2pu8 n LEU 98 Ca 0.16 -1.62 -0.09 0.00 -0.03 0.00 0.00 56.01 54.44 2pu8 n LEU 98 Cb 0.23 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2pu8 n LEU 98 CO 0.22 0.44 -0.35 0.68 -1.33 0.00 0.00 177.39 177.06 2pu8 s VAL 99 N -0.69 0.14 0.47 4.08 -7.23 -1.23 0.67 120.40 116.61 2pu8 s VAL 99 Ca 0.04 -1.14 -0.23 0.00 -1.81 0.00 0.00 61.98 58.84 2pu8 s VAL 99 Cb 0.02 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.28 2pu8 s VAL 99 CO 0.03 -0.63 1.28 -2.16 -0.31 0.00 0.00 175.10 173.31 2pu8 s PRO 100 N -2.13 3.60 0.29 4.82 0.04 -1.26 -4.92 135.00 135.45 2pu8 s PRO 100 Ca -0.10 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2pu8 s PRO 100 Cb -0.05 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 2pu8 s PRO 100 CO -0.03 -0.76 1.08 1.03 0.04 0.00 0.00 177.00 178.36 2pu8 s ARG 101 N -2.63 4.59 -0.21 4.56 0.52 -1.26 -4.85 118.95 119.67 2pu8 s ARG 101 Ca 0.64 1.74 -0.08 0.00 -0.52 0.00 0.00 55.73 57.52 2pu8 s ARG 101 Cb -0.36 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2pu8 s ARG 101 CO 0.44 0.19 0.08 0.08 0.02 0.00 0.00 175.30 176.10 2pu8 s VAL 102 N -1.23 4.73 -0.12 3.52 1.01 -1.26 -0.59 120.40 126.46 2pu8 s VAL 102 Ca 0.46 -0.05 0.19 0.00 0.00 0.00 0.00 61.98 62.59 2pu8 s VAL 102 Cb -0.30 -3.16 -0.25 0.00 0.00 0.00 0.00 36.38 32.67 2pu8 s VAL 102 CO 0.39 0.41 0.43 0.49 0.00 0.00 0.00 175.10 176.81 2pu8 n PHE 103 N 4.05 0.28 -3.61 5.22 3.01 0.81 -4.98 117.46 122.23 2pu8 n PHE 103 Ca -0.16 0.09 -0.08 0.00 1.01 0.00 0.00 57.45 58.31 2pu8 n PHE 103 Cb 0.52 -0.85 -0.06 0.00 -0.01 0.00 0.00 39.48 39.09 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 -2.99 -0.33 0.02 1.38 6.14 -1.12 -5.01 117.35 115.45 2pu8 s TYR 104 Ca -0.07 0.69 -0.06 0.00 0.64 0.00 0.00 57.07 58.27 2pu8 s TYR 104 Cb 0.10 0.43 -0.01 0.00 0.42 0.00 0.00 41.96 42.90 2pu8 s TYR 104 CO 0.85 -0.23 0.10 -1.54 0.64 0.00 0.00 175.55 175.37 2pu8 s SER 105 N -0.52 0.12 -0.10 4.32 1.04 -1.26 0.11 113.70 117.42 2pu8 s SER 105 Ca 0.02 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 2pu8 s SER 105 Cb -0.03 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.34 2pu8 s SER 105 CO -0.04 -0.43 0.11 -0.62 0.98 0.00 0.00 173.24 173.25 2pu8 s ASP 106 N -1.74 1.28 0.08 7.02 3.68 -0.42 -5.01 116.67 121.56 2pu8 s ASP 106 Ca -0.10 -0.00 -0.20 0.00 2.13 0.00 0.00 52.55 54.38 2pu8 s ASP 106 Cb -0.05 0.02 -0.10 0.00 -1.45 0.00 0.00 42.92 41.35 2pu8 s ASP 106 CO -0.02 -0.28 1.52 0.74 0.13 0.00 0.00 175.17 177.27 2pu8 h THR 107 N 6.40 1.24 -0.55 1.71 2.02 -1.95 -0.55 112.91 121.23 2pu8 h THR 107 Ca -0.13 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2pu8 h THR 107 Cb 1.13 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 2pu8 h THR 107 CO 0.19 0.26 0.32 -0.33 0.37 0.00 0.00 175.52 176.33 2pu8 h GLU 108 N 0.14 0.75 -0.00 6.66 3.07 -1.97 -1.82 114.58 121.41 2pu8 h GLU 108 Ca 0.06 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2pu8 h GLU 108 Cb 0.37 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2pu8 h GLU 108 CO 0.01 0.55 -0.04 -1.33 -1.40 0.00 0.00 179.01 176.80 2pu8 n MET 109 N -4.65 0.70 -3.95 2.33 2.81 -1.22 -4.06 117.12 109.08 2pu8 n MET 109 Ca 0.03 -0.13 -0.29 0.00 -1.81 0.00 0.00 57.70 55.50 2pu8 n MET 109 Cb 0.06 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.04 -1.52 -2.48 3.04 0.00 -0.35 -4.71 120.51 113.44 2pu8 n ALA 110 Ca 0.17 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2pu8 n ALA 110 Cb 0.23 -3.37 -0.13 0.00 0.00 0.00 0.00 19.45 16.17 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 -3.47 3.04 -0.11 0.00 1.01 -0.39 -1.87 120.40 118.61 2pu8 s VAL 111 Ca 0.46 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2pu8 s VAL 111 Cb -0.24 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 33.98 2pu8 s VAL 111 CO 0.86 0.59 -0.05 -0.89 0.00 0.00 0.00 175.10 175.60 2pu8 s THR 112 N -0.71 0.86 -0.25 3.92 2.01 -0.25 -1.29 115.64 119.92 2pu8 s THR 112 Ca 0.11 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2pu8 s THR 112 Cb -0.11 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2pu8 s THR 112 CO 0.01 0.32 0.34 -0.69 -0.69 0.00 0.00 174.62 173.90 2pu8 s VAL 113 N 1.77 5.21 0.26 3.82 1.01 0.12 -1.12 120.40 131.47 2pu8 s VAL 113 Ca 0.05 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 2pu8 s VAL 113 Cb -0.13 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2pu8 s VAL 113 CO -0.07 0.21 0.31 0.00 0.00 0.00 0.00 175.10 175.55 2pu8 s MET 114 N 1.74 1.51 0.28 2.72 0.23 0.05 -0.14 119.30 125.70 2pu8 s MET 114 Ca 0.14 -1.61 -0.30 0.00 -1.03 0.00 0.00 55.69 52.90 2pu8 s MET 114 Cb -0.15 0.37 -0.13 0.00 -1.53 0.00 0.00 34.83 33.38 2pu8 s MET 114 CO 0.09 -0.57 1.32 -1.91 -2.03 0.00 0.00 175.02 171.92 2pu8 n GLU 115 N -0.41 2.01 -2.59 3.16 2.13 0.25 -1.37 120.64 123.82 2pu8 n GLU 115 Ca 0.02 0.71 -0.42 0.00 0.66 0.00 0.00 57.16 58.12 2pu8 n GLU 115 Cb 0.63 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 30.01 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 -0.03 7.19 -0.17 4.31 3.68 -1.26 -4.59 116.67 125.80 2pu8 s ASP 116 Ca 0.62 1.68 0.14 0.00 2.13 0.00 0.00 52.55 57.12 2pu8 s ASP 116 Cb -0.62 -2.56 0.37 0.00 -1.45 0.00 0.00 42.92 38.66 2pu8 s ASP 116 CO 0.56 -0.46 1.19 0.18 0.13 0.00 0.00 175.17 176.76 2pu8 n LEU 117 N 4.80 2.47 -0.18 -1.34 4.77 -1.26 -4.82 117.00 121.43 2pu8 n LEU 117 Ca 0.09 -3.51 0.19 0.00 -0.03 0.00 0.00 56.01 52.75 2pu8 n LEU 117 Cb 0.48 -0.47 0.54 0.00 -2.33 0.00 0.00 43.42 41.65 2pu8 n LEU 117 CO 0.53 1.12 1.22 0.28 -1.33 0.00 0.00 177.39 179.21 2pu8 h SER 118 N 0.65 0.33 0.52 -1.43 0.02 -2.01 -1.83 113.55 109.80 2pu8 h SER 118 Ca -0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2pu8 h SER 118 Cb 1.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2pu8 h SER 118 CO 0.00 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2pu8 n HIS 119 N -4.46 0.00 -3.27 3.45 1.44 -1.26 -4.76 115.22 106.36 2pu8 n HIS 119 Ca 0.16 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.69 2pu8 n HIS 119 Cb 0.65 -0.44 -0.01 0.00 0.12 0.00 0.00 29.99 30.31 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 -2.88 3.52 -0.01 2.39 1.43 -0.69 -4.99 118.68 117.45 2pu8 s LEU 120 Ca 0.11 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2pu8 s LEU 120 Cb 0.12 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 2pu8 s LEU 120 CO 0.30 -0.73 -0.26 -0.75 0.23 0.00 0.00 176.35 175.15 2pu8 s LYS 121 N -4.26 2.05 0.09 1.70 2.20 -0.61 -4.87 119.74 116.04 2pu8 s LYS 121 Ca 0.52 -0.96 -0.34 0.00 -0.36 0.00 0.00 55.97 54.83 2pu8 s LYS 121 Cb -0.07 -2.02 -0.14 0.00 -1.51 0.00 0.00 37.83 34.09 2pu8 s LYS 121 CO 0.31 0.55 1.63 -0.89 -0.36 0.00 0.00 175.35 176.58 2pu8 n ILE 122 N 2.33 0.13 -0.26 5.43 2.08 -1.26 0.34 119.36 128.16 2pu8 n ILE 122 Ca -0.16 -0.02 -0.00 0.00 0.56 0.00 0.00 62.75 63.12 2pu8 n ILE 122 Cb 0.51 -1.54 0.12 0.00 -0.75 0.00 0.00 39.64 37.98 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 6.56 1.00 -0.22 -1.39 0.00 -0.96 -1.56 119.26 122.69 2pu8 h ALA 123 Ca -0.46 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2pu8 h ALA 123 Cb 1.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2pu8 h ALA 123 CO 0.89 0.11 -0.03 -0.09 0.00 0.00 0.00 179.25 180.13 2pu8 h ARG 124 N 0.77 0.03 -0.13 0.00 2.43 -1.55 0.17 114.38 116.10 2pu8 h ARG 124 Ca 0.33 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2pu8 h ARG 124 Cb 0.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2pu8 h ARG 124 CO -0.19 0.02 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.05 2pu8 h LYS 125 N 0.03 0.01 -0.53 0.20 3.64 -1.73 -2.09 116.57 116.11 2pu8 h LYS 125 Ca 0.11 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2pu8 h LYS 125 Cb 0.15 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2pu8 h LYS 125 CO -0.20 0.01 0.31 0.78 -2.27 0.00 0.00 179.45 178.07 2pu8 h GLY 126 N 0.01 0.75 1.00 5.01 0.00 -0.94 -2.20 103.07 106.70 2pu8 h GLY 126 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2pu8 h GLY 126 CO -0.12 0.18 0.42 1.41 0.00 0.00 0.00 176.54 178.44 2pu8 h LEU 127 N 0.61 0.77 -1.20 3.11 3.38 -0.49 -0.53 115.31 120.96 2pu8 h LEU 127 Ca 0.22 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2pu8 h LEU 127 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2pu8 h LEU 127 CO -0.11 0.57 0.00 0.40 0.09 0.00 0.00 178.44 179.40 2pu8 h ILE 128 N 0.89 1.20 0.00 1.22 2.04 -1.27 -1.89 117.51 119.70 2pu8 h ILE 128 Ca 0.24 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2pu8 h ILE 128 Cb -0.08 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2pu8 h ILE 128 CO -0.05 0.28 0.00 -0.62 0.00 0.00 0.00 178.15 177.76 2pu8 n GLU 129 N -4.27 0.11 0.00 2.37 1.02 -0.84 -4.91 120.64 114.12 2pu8 n GLU 129 Ca 0.02 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2pu8 n GLU 129 Cb 0.25 -1.67 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 0.70 0.90 3.77 0.62 0.00 -0.71 -5.08 105.19 105.39 2pu8 n GLY 130 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.76 4.17 -0.00 1.61 0.41 -0.29 -4.95 118.70 118.89 2pu8 s GLU 131 Ca 0.00 2.49 0.14 0.00 -0.41 0.00 0.00 54.97 57.19 2pu8 s GLU 131 Cb 0.00 -3.00 -0.16 0.00 -1.78 0.00 0.00 34.13 29.19 2pu8 s GLU 131 CO 0.00 -0.48 0.59 0.09 -0.49 0.00 0.00 175.26 174.97 2pu8 n ASN 132 N 0.90 0.70 -3.52 -0.19 3.02 -1.26 -4.20 115.26 110.71 2pu8 n ASN 132 Ca 0.02 -0.80 -0.34 0.00 -0.03 0.00 0.00 54.58 53.43 2pu8 n ASN 132 Cb 0.39 1.03 0.03 0.00 -0.61 0.00 0.00 39.78 40.62 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 -1.36 -2.38 -0.17 3.10 0.53 -1.26 -4.80 117.16 110.82 2pu8 n TYR 133 Ca 0.02 0.99 0.24 0.00 -1.02 0.00 0.00 57.90 58.14 2pu8 n TYR 133 Cb 0.22 -1.96 0.64 0.00 -1.03 0.00 0.00 39.34 37.21 2pu8 n TYR 133 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2pu8 h PRO 134 N 1.32 0.14 -0.15 -0.72 0.13 -1.91 -1.89 132.00 128.92 2pu8 h PRO 134 Ca -0.58 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2pu8 h PRO 134 Cb 1.36 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pu8 h PRO 134 CO 0.26 0.09 0.00 0.72 -0.23 0.00 0.00 178.00 178.85 2pu8 n HIS 135 N -4.37 0.17 -0.19 1.56 8.25 -1.26 -4.59 115.22 114.79 2pu8 n HIS 135 Ca 0.17 -0.09 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 2pu8 n HIS 135 Cb 0.81 -0.00 0.10 0.00 1.12 0.00 0.00 29.99 32.02 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 4.26 0.10 -0.20 2.41 5.85 -1.67 -1.13 115.31 124.93 2pu8 h LEU 136 Ca 0.00 0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 2pu8 h LEU 136 Cb 0.93 0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.07 2pu8 h LEU 136 CO 0.00 0.07 -0.70 0.77 -0.34 0.00 0.00 178.44 178.24 2pu8 h SER 137 N 0.31 0.97 -0.32 1.25 4.64 -1.81 -0.22 113.55 118.37 2pu8 h SER 137 Ca 0.29 -0.60 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2pu8 h SER 137 Cb 0.39 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2pu8 h SER 137 CO -0.34 1.40 0.18 -0.61 -0.87 0.00 0.00 176.83 176.59 2pu8 h GLN 138 N 0.59 0.35 -0.09 4.77 4.15 -1.79 0.19 115.11 123.29 2pu8 h GLN 138 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 2pu8 h GLN 138 Cb 1.33 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 2pu8 h GLN 138 CO 0.15 0.23 0.04 0.45 -1.93 0.00 0.00 178.83 177.77 2pu8 h HIS 139 N 0.36 0.14 -0.19 3.99 3.86 -1.14 -2.03 115.15 120.14 2pu8 h HIS 139 Ca 0.13 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 2pu8 h HIS 139 Cb 0.01 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2pu8 h HIS 139 CO -0.08 0.24 -0.44 0.82 0.86 0.00 0.00 177.93 179.32 2pu8 h ILE 140 N -0.01 1.31 -0.42 2.45 2.04 -0.98 -0.50 117.51 121.41 2pu8 h ILE 140 Ca 0.03 -1.63 0.07 0.00 1.00 0.00 0.00 64.86 64.33 2pu8 h ILE 140 Cb 0.16 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2pu8 h ILE 140 CO -0.00 0.50 0.08 1.23 0.00 0.00 0.00 178.15 179.96 2pu8 h GLY 141 N 1.13 0.50 0.94 5.37 0.00 -0.57 0.22 103.07 110.66 2pu8 h GLY 141 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pu8 h GLY 141 CO 0.08 -0.04 0.12 -2.09 0.00 0.00 0.00 176.54 174.61 2pu8 h GLU 142 N 0.21 0.31 -0.23 4.80 4.81 -1.16 0.04 114.58 123.36 2pu8 h GLU 142 Ca 0.20 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2pu8 h GLU 142 Cb 0.25 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 2pu8 h GLU 142 CO -0.27 0.29 -0.27 0.35 -0.73 0.00 0.00 179.01 178.38 2pu8 h PHE 143 N 0.25 -0.74 0.04 0.92 3.57 -0.72 -2.08 116.94 118.17 2pu8 h PHE 143 Ca 0.08 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2pu8 h PHE 143 Cb 0.08 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2pu8 h PHE 143 CO -0.03 -0.35 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.57 2pu8 h LEU 144 N -0.29 -0.16 -0.75 0.59 3.38 -0.34 -0.21 115.31 117.53 2pu8 h LEU 144 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2pu8 h LEU 144 Cb 0.49 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2pu8 h LEU 144 CO -0.40 -0.09 0.37 1.23 0.09 0.00 0.00 178.44 179.64 2pu8 h GLY 145 N -0.12 1.15 0.26 0.83 0.00 -0.90 -1.84 103.07 102.45 2pu8 h GLY 145 Ca 0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 2pu8 h GLY 145 CO -0.04 0.53 -0.26 0.50 0.00 0.00 0.00 176.54 177.27 2pu8 h LYS 146 N 1.05 0.11 -0.72 4.80 1.57 -1.33 -2.32 116.57 119.73 2pu8 h LYS 146 Ca 0.26 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2pu8 h LYS 146 Cb 0.10 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2pu8 h LYS 146 CO -0.03 1.05 0.43 1.79 -0.57 0.00 0.00 179.45 182.12 2pu8 h THR 147 N -0.75 1.20 -0.13 -0.16 1.35 -1.06 -1.61 112.91 111.76 2pu8 h THR 147 Ca -0.04 -0.45 -0.16 0.00 -0.55 0.00 0.00 66.41 65.21 2pu8 h THR 147 Cb 1.17 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2pu8 h THR 147 CO 0.05 0.21 -0.54 -0.07 -0.25 0.00 0.00 175.52 174.92 2pu8 h LEU 148 N 0.98 0.70 -0.14 3.87 4.07 -1.46 -3.24 115.31 120.09 2pu8 h LEU 148 Ca 0.26 -0.63 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 2pu8 h LEU 148 Cb -0.04 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 2pu8 h LEU 148 CO -0.05 1.21 0.07 0.15 -1.08 0.00 0.00 178.44 178.74 2pu8 h PHE 149 N 0.23 0.19 -0.00 1.13 3.57 -1.29 -3.33 116.94 117.45 2pu8 h PHE 149 Ca -0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2pu8 h PHE 149 Cb 1.18 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2pu8 h PHE 149 CO 0.10 0.24 -0.01 0.66 -2.23 0.00 0.00 178.31 177.07 2pu8 n TYR 150 N -4.92 0.00 -0.30 0.41 4.01 -0.62 -1.75 117.16 113.99 2pu8 n TYR 150 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 2pu8 n TYR 150 Cb 0.09 -0.21 0.13 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.17 2.80 -4.97 7.72 7.64 -1.23 -4.71 113.62 119.70 2pu8 n SER 151 Ca 0.17 -2.21 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 2pu8 n SER 151 Cb 0.22 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.24 5.31 0.61 6.43 1.04 -0.72 -3.86 113.70 121.28 2pu8 s SER 152 Ca 0.21 -0.16 0.38 0.00 0.48 0.00 0.00 55.95 56.85 2pu8 s SER 152 Cb 0.13 -0.73 1.99 0.00 0.10 0.00 0.00 66.02 67.51 2pu8 s SER 152 CO 0.10 -1.09 2.24 0.44 0.98 0.00 0.00 173.24 175.91 2pu8 h ASP 153 N 0.18 0.00 0.09 7.02 3.32 -1.81 -1.73 116.42 123.49 2pu8 h ASP 153 Ca -0.41 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 2pu8 h ASP 153 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2pu8 h ASP 153 CO 0.49 0.02 -0.27 1.88 -1.72 0.00 0.00 179.24 179.64 2pu8 h TYR 154 N 0.00 0.33 0.00 4.55 0.05 -1.91 -3.30 116.97 116.69 2pu8 h TYR 154 Ca -0.00 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 2pu8 h TYR 154 Cb 0.15 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2pu8 h TYR 154 CO 0.00 0.55 -1.96 0.00 -1.05 0.00 0.00 178.16 175.70 2pu8 n ALA 155 N -2.48 2.32 -2.36 3.88 0.00 -0.98 -1.32 120.51 119.56 2pu8 n ALA 155 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2pu8 n ALA 155 Cb 0.39 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.61 2.20 0.30 0.00 1.43 -0.69 -4.74 118.68 112.56 2pu8 s LEU 156 Ca -0.07 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 2pu8 s LEU 156 Cb 0.10 -1.26 -0.13 0.00 0.03 0.00 0.00 46.19 44.93 2pu8 s LEU 156 CO 0.75 0.24 1.32 -0.62 0.23 0.00 0.00 176.35 178.27 2pu8 n GLU 157 N 1.62 2.05 -0.08 1.70 1.02 -1.26 -4.60 120.64 121.08 2pu8 n GLU 157 Ca -0.17 0.72 0.05 0.00 -0.02 0.00 0.00 57.16 57.74 2pu8 n GLU 157 Cb 0.52 -2.32 0.39 0.00 -0.02 0.00 0.00 31.44 30.01 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 3.21 0.63 -0.12 3.49 0.11 -1.96 -1.35 132.00 136.00 2pu8 h PRO 158 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2pu8 h PRO 158 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2pu8 h PRO 158 CO 0.68 0.41 -0.36 0.87 -0.21 0.00 0.00 178.00 179.39 2pu8 h LYS 159 N 0.65 0.25 -0.06 1.05 1.57 -1.99 -0.65 116.57 117.38 2pu8 h LYS 159 Ca 0.22 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2pu8 h LYS 159 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2pu8 h LYS 159 CO -0.06 0.58 -0.06 0.28 -0.57 0.00 0.00 179.45 179.62 2pu8 h VAL 160 N 0.22 1.37 -0.81 0.50 2.07 -1.65 -3.10 116.25 114.85 2pu8 h VAL 160 Ca 0.03 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.34 2pu8 h VAL 160 Cb 0.74 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2pu8 h VAL 160 CO 0.06 0.34 0.53 0.50 0.02 0.00 0.00 177.57 179.01 2pu8 h LYS 161 N -0.30 1.02 -0.47 1.57 3.11 -1.21 -2.25 116.57 118.05 2pu8 h LYS 161 Ca 0.01 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2pu8 h LYS 161 Cb 0.57 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 2pu8 h LYS 161 CO 0.02 0.68 0.31 0.87 -2.81 0.00 0.00 179.45 178.51 2pu8 h LYS 162 N 1.05 0.52 -0.23 1.90 1.57 -1.15 -0.09 116.57 120.13 2pu8 h LYS 162 Ca 0.31 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 2pu8 h LYS 162 Cb -0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2pu8 h LYS 162 CO -0.09 0.34 -0.54 1.96 -0.57 0.00 0.00 179.45 180.55 2pu8 h GLN 163 N 0.53 0.70 -0.48 3.15 1.08 -1.34 -3.07 115.11 115.69 2pu8 h GLN 163 Ca 0.19 -0.44 -0.07 0.00 -1.45 0.00 0.00 58.65 56.88 2pu8 h GLN 163 Cb 0.10 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2pu8 h GLN 163 CO -0.05 1.06 0.01 -0.07 -0.95 0.00 0.00 178.83 178.83 2pu8 h LEU 164 N 0.53 0.75 -0.51 1.46 3.38 -0.91 -1.58 115.31 118.44 2pu8 h LEU 164 Ca 0.01 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2pu8 h LEU 164 Cb 1.12 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 2pu8 h LEU 164 CO 0.11 0.82 0.16 0.58 0.09 0.00 0.00 178.44 180.20 2pu8 h VAL 165 N 0.74 0.79 0.12 1.22 2.07 -1.02 0.72 116.25 120.89 2pu8 h VAL 165 Ca 0.15 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2pu8 h VAL 165 Cb 0.44 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2pu8 h VAL 165 CO 0.02 0.06 -0.06 0.11 0.02 0.00 0.00 177.57 177.72 2pu8 h LYS 166 N 0.33 -0.16 -0.93 1.57 1.57 -1.40 -1.85 116.57 115.71 2pu8 h LYS 166 Ca 0.25 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 2pu8 h LYS 166 Cb 0.30 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 2pu8 h LYS 166 CO -0.28 -0.08 0.57 0.37 -0.57 0.00 0.00 179.45 179.46 2pu8 h GLN 167 N -0.19 0.94 -0.66 3.15 4.15 -0.80 -2.69 115.11 119.02 2pu8 h GLN 167 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2pu8 h GLN 167 Cb 0.15 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2pu8 h GLN 167 CO 0.03 0.62 0.00 1.19 -1.93 0.00 0.00 178.83 178.74 2pu8 n PHE 168 N -4.63 1.24 -1.70 3.99 3.72 0.20 -4.93 117.46 115.35 2pu8 n PHE 168 Ca 0.16 -0.57 -0.43 0.00 -0.05 0.00 0.00 57.45 56.55 2pu8 n PHE 168 Cb 0.27 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.25 0.10 -3.09 4.37 -1.04 -0.70 -4.18 114.28 111.00 2pu8 n THR 169 Ca 0.25 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 62.04 2pu8 n THR 169 Cb 0.77 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 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 3.60 -0.30 -0.19 8.00 2.85 -1.26 -5.02 115.26 122.94 2pu8 n ASN 170 Ca 0.16 -2.94 -0.04 0.00 -0.11 0.00 0.00 54.58 51.65 2pu8 n ASN 170 Cb 0.33 -0.08 0.14 0.00 1.24 0.00 0.00 39.78 41.41 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 3.66 0.96 0.06 1.20 0.11 -1.97 -1.45 132.00 134.58 2pu8 h PRO 171 Ca 0.03 -0.19 -0.28 0.00 0.11 0.00 0.00 66.00 65.67 2pu8 h PRO 171 Cb 0.94 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.93 2pu8 h PRO 171 CO 0.43 0.83 -1.13 0.93 -0.21 0.00 0.00 178.00 178.85 2pu8 h GLU 172 N 0.93 0.61 -0.02 1.05 5.08 -1.99 -1.82 114.58 118.42 2pu8 h GLU 172 Ca 0.21 -0.73 -0.23 0.00 -1.00 0.00 0.00 59.36 57.61 2pu8 h GLU 172 Cb 0.28 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pu8 h GLU 172 CO -0.01 1.32 -0.92 -0.07 -1.00 0.00 0.00 179.01 178.33 2pu8 h LEU 173 N 0.31 0.60 -0.98 1.33 -0.00 -1.92 -2.83 115.31 111.82 2pu8 h LEU 173 Ca -0.15 -0.46 0.03 0.00 -0.00 0.00 0.00 57.88 57.30 2pu8 h LEU 173 Cb 1.79 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 42.21 2pu8 h LEU 173 CO 0.21 1.25 0.64 0.00 -0.00 0.00 0.00 178.44 180.55 2pu8 h ASP 175 N 1.25 0.77 -0.22 0.00 -0.00 -1.18 0.31 116.42 117.35 2pu8 h ASP 175 Ca 0.39 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.43 2pu8 h ASP 175 Cb -0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.16 2pu8 h ASP 175 CO -0.12 0.49 0.13 0.40 -0.00 0.00 0.00 179.24 180.14 2pu8 h ILE 176 N 0.90 1.10 -0.46 2.25 2.04 -1.21 -1.75 117.51 120.38 2pu8 h ILE 176 Ca 0.35 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 2pu8 h ILE 176 Cb 0.16 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2pu8 h ILE 176 CO -0.17 0.10 -0.07 0.74 0.00 0.00 0.00 178.15 178.74 2pu8 h THR 177 N 0.26 1.27 -0.86 -0.27 2.02 -1.04 0.45 112.91 114.74 2pu8 h THR 177 Ca 0.08 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.13 2pu8 h THR 177 Cb 0.04 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 2pu8 h THR 177 CO -0.01 0.41 0.56 -0.33 0.37 0.00 0.00 175.52 176.51 2pu8 h GLU 178 N 0.71 0.99 0.01 6.66 5.08 -0.31 -0.39 114.58 127.33 2pu8 h GLU 178 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2pu8 h GLU 178 Cb 0.61 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pu8 h GLU 178 CO 0.04 0.65 -0.00 0.00 -1.00 0.00 0.00 179.01 178.70 2pu8 h ARG 179 N 1.02 -0.01 0.10 2.33 3.08 -1.18 -3.15 114.38 116.57 2pu8 h ARG 179 Ca 0.35 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.23 2pu8 h ARG 179 Cb 0.11 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.18 2pu8 h ARG 179 CO -0.12 0.83 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.79 2pu8 h LEU 180 N -0.93 0.49 0.14 3.04 3.38 -0.80 0.13 115.31 120.76 2pu8 h LEU 180 Ca -0.00 -0.90 -0.29 0.00 0.09 0.00 0.00 57.88 56.78 2pu8 h LEU 180 Cb 0.84 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.45 2pu8 h LEU 180 CO 0.00 1.34 -1.29 0.58 0.09 0.00 0.00 178.44 179.16 2pu8 h VAL 181 N -0.29 1.41 0.00 1.22 2.07 -1.26 -3.40 116.25 116.00 2pu8 h VAL 181 Ca -0.12 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.53 2pu8 h VAL 181 Cb 1.54 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.23 2pu8 h VAL 181 CO 0.14 0.85 -0.52 0.49 0.02 0.00 0.00 177.57 178.55 2pu8 n PHE 182 N -3.62 0.00 0.05 1.57 3.72 -1.20 -4.72 117.46 113.25 2pu8 n PHE 182 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2pu8 n PHE 182 Cb 1.03 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.28 0.38 -0.30 4.37 -1.04 -1.06 -4.75 114.28 110.60 2pu8 n THR 183 Ca 0.01 0.13 -0.04 0.00 -2.04 0.00 0.00 64.05 62.10 2pu8 n THR 183 Cb 0.13 -0.88 0.07 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.99 -0.19 8.00 3.32 -0.98 -1.98 116.42 125.58 2pu8 h ASP 184 Ca 0.00 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.03 2pu8 h ASP 184 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2pu8 h ASP 184 CO 0.00 0.78 0.21 -0.65 -1.72 0.00 0.00 179.24 177.86 2pu8 h PRO 185 N 1.12 0.00 -0.01 3.56 0.11 -1.80 -2.83 132.00 132.15 2pu8 h PRO 185 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2pu8 h PRO 185 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2pu8 h PRO 185 CO -0.05 0.00 -0.09 1.19 -0.21 0.00 0.00 178.00 178.84 2pu8 n PHE 186 N -3.79 0.00 -4.30 0.65 3.72 -0.75 -4.88 117.46 108.11 2pu8 n PHE 186 Ca 0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 2pu8 n PHE 186 Cb 0.33 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.17 1.50 -1.32 1.38 0.40 -1.07 -4.47 117.98 112.24 2pu8 s PHE 187 Ca 0.33 -1.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.22 2pu8 s PHE 187 Cb 0.20 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.91 2pu8 s PHE 187 CO 0.40 -0.46 2.17 -3.47 0.70 0.00 0.00 175.22 174.56 2pu8 n ASP 188 N -0.60 3.61 -4.92 1.36 4.64 -1.26 -4.92 116.55 114.46 2pu8 n ASP 188 Ca 0.01 -2.81 -0.31 0.00 -1.38 0.00 0.00 54.79 50.31 2pu8 n ASP 188 Cb 0.66 -1.55 -0.04 0.00 -1.04 0.00 0.00 41.12 39.15 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 3.56 3.51 0.47 -0.67 3.76 -1.26 -5.01 115.29 119.65 2pu8 s HIS 189 Ca 0.49 0.27 0.26 0.00 -0.15 0.00 0.00 55.06 55.93 2pu8 s HIS 189 Cb 0.14 -1.78 1.30 0.00 1.11 0.00 0.00 32.58 33.35 2pu8 s HIS 189 CO -0.05 0.56 1.84 -0.44 -0.85 0.00 0.00 174.74 175.80 2pu8 h ASP 190 N 2.96 0.21 1.39 1.40 3.32 -1.93 -2.49 116.42 121.28 2pu8 h ASP 190 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2pu8 h ASP 190 Cb 1.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2pu8 h ASP 190 CO 0.75 0.06 0.00 0.35 -1.72 0.00 0.00 179.24 178.68 2pu8 n THR 191 N -4.40 0.60 -2.12 0.35 -2.24 -1.26 -4.86 114.28 100.35 2pu8 n THR 191 Ca 0.22 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 2pu8 n THR 191 Cb 0.92 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 68.53 2pu8 n THR 191 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2pu8 s ASN 192 N -4.46 5.47 -0.25 3.42 0.01 -0.94 -2.59 114.94 115.60 2pu8 s ASN 192 Ca 0.10 2.31 -0.03 0.00 -0.71 0.00 0.00 52.86 54.54 2pu8 s ASN 192 Cb 0.12 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.30 2pu8 s ASN 192 CO 0.58 -1.40 0.23 -0.62 -1.51 0.00 0.00 177.10 174.38 2pu8 s ASP 193 N -1.63 1.83 0.08 -1.22 3.68 0.28 -4.83 116.67 114.86 2pu8 s ASP 193 Ca 0.75 -0.59 -0.11 0.00 2.13 0.00 0.00 52.55 54.73 2pu8 s ASP 193 Cb -0.28 0.31 0.01 0.00 -1.45 0.00 0.00 42.92 41.51 2pu8 s ASP 193 CO 0.31 -0.37 0.24 0.72 0.13 0.00 0.00 175.17 176.20 2pu8 s PHE 194 N 2.30 0.05 0.46 -5.34 -0.71 -1.26 -4.35 117.98 109.13 2pu8 s PHE 194 Ca 0.08 -0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 55.36 2pu8 s PHE 194 Cb -0.15 0.02 -0.08 0.00 -1.21 0.00 0.00 43.02 41.60 2pu8 s PHE 194 CO -0.24 -0.55 1.14 -1.21 -1.34 0.00 0.00 175.22 173.02 2pu8 s GLU 195 N -3.50 3.78 0.43 1.99 8.01 -1.26 -4.94 118.70 123.21 2pu8 s GLU 195 Ca 0.02 1.69 0.10 0.00 0.01 0.00 0.00 54.97 56.79 2pu8 s GLU 195 Cb 0.03 -2.37 0.96 0.00 -4.31 0.00 0.00 34.13 28.44 2pu8 s GLU 195 CO -0.09 -0.52 2.07 1.49 0.01 0.00 0.00 175.26 178.22 2pu8 h GLU 196 N 2.00 0.42 0.00 1.61 4.57 -2.01 -1.16 114.58 120.02 2pu8 h GLU 196 Ca -0.49 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2pu8 h GLU 196 Cb 1.24 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2pu8 h GLU 196 CO 0.60 0.28 -0.00 0.93 -1.18 0.00 0.00 179.01 179.64 2pu8 h GLU 197 N 0.44 0.00 0.00 1.92 3.07 -2.03 -1.13 114.58 116.85 2pu8 h GLU 197 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2pu8 h GLU 197 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2pu8 h GLU 197 CO -0.03 0.00 -0.51 1.25 -1.40 0.00 0.00 179.01 178.32 2pu8 h LEU 198 N 0.00 0.00 -0.70 1.33 5.85 -1.58 -3.40 115.31 116.80 2pu8 h LEU 198 Ca -0.00 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.81 2pu8 h LEU 198 Cb 0.24 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 2pu8 h LEU 198 CO 0.00 0.03 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.01 2pu8 h ARG 199 N 0.00 0.08 -0.95 1.25 2.43 -1.16 -1.38 114.38 114.65 2pu8 h ARG 199 Ca 0.00 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 2pu8 h ARG 199 Cb 0.89 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.35 2pu8 h ARG 199 CO 0.00 0.05 0.60 -1.35 -1.51 0.00 0.00 179.97 177.77 2pu8 h PRO 200 N 0.09 0.85 0.00 0.20 0.11 -1.79 -0.25 132.00 131.20 2pu8 h PRO 200 Ca 0.37 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 2pu8 h PRO 200 Cb 0.62 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2pu8 h PRO 200 CO -0.63 0.56 -0.55 0.74 -0.21 0.00 0.00 178.00 177.91 2pu8 h PHE 201 N 0.87 0.00 -0.08 0.65 -1.00 -1.60 -2.66 116.94 113.12 2pu8 h PHE 201 Ca 0.47 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.21 2pu8 h PHE 201 Cb 0.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 2pu8 h PHE 201 CO -0.00 0.45 -0.11 0.28 -1.61 0.00 0.00 178.31 177.31 2pu8 h VAL 202 N 0.00 1.38 -0.04 -0.55 2.07 -0.64 -3.02 116.25 115.45 2pu8 h VAL 202 Ca -0.02 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 2pu8 h VAL 202 Cb 1.36 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 2pu8 h VAL 202 CO 0.06 0.37 -0.22 -0.33 0.02 0.00 0.00 177.57 177.46 2pu8 h GLU 203 N -0.22 0.06 -0.36 1.57 5.08 -1.12 -1.54 114.58 118.07 2pu8 h GLU 203 Ca 0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2pu8 h GLU 203 Cb 0.65 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2pu8 h GLU 203 CO 0.03 0.29 0.13 0.87 -1.00 0.00 0.00 179.01 179.33 2pu8 h LYS 204 N 0.06 0.27 -0.12 2.33 1.79 -1.47 -1.81 116.57 117.63 2pu8 h LYS 204 Ca 0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2pu8 h LYS 204 Cb 0.43 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2pu8 h LYS 204 CO 0.03 0.18 0.07 1.25 -1.08 0.00 0.00 179.45 179.90 2pu8 h LEU 205 N 0.28 0.14 -1.88 2.94 5.85 -1.23 -2.53 115.31 118.88 2pu8 h LEU 205 Ca 0.16 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2pu8 h LEU 205 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2pu8 h LEU 205 CO -0.16 0.14 0.25 -0.50 -0.34 0.00 0.00 178.44 177.83 2pu8 h TRP 206 N 0.13 0.14 -0.09 1.25 6.55 -1.13 -1.64 115.95 121.16 2pu8 h TRP 206 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2pu8 h TRP 206 Cb 0.03 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 2pu8 h TRP 206 CO -0.06 0.07 0.00 0.09 -1.05 0.00 0.00 178.44 177.50 2pu8 n ASN 207 N -4.46 2.08 -4.42 -3.49 3.02 -0.69 -4.75 115.26 102.55 2pu8 n ASN 207 Ca 0.05 -1.71 -0.44 0.00 -0.03 0.00 0.00 54.58 52.45 2pu8 n ASN 207 Cb 0.33 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.86 6.45 0.19 6.41 3.84 -0.62 -4.91 114.94 124.43 2pu8 s ASN 208 Ca 0.35 -1.78 -0.12 0.00 0.21 0.00 0.00 52.86 51.51 2pu8 s ASN 208 Cb 0.20 -2.35 0.15 0.00 -0.55 0.00 0.00 41.25 38.70 2pu8 s ASN 208 CO 0.31 -1.08 1.81 0.44 -2.79 0.00 0.00 177.10 175.79 2pu8 h ASP 209 N 8.92 0.52 -0.07 -4.21 5.19 -1.85 -2.84 116.42 122.09 2pu8 h ASP 209 Ca -0.05 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.24 2pu8 h ASP 209 Cb 1.05 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2pu8 h ASP 209 CO 1.07 0.36 -0.42 0.77 -3.12 0.00 0.00 179.24 177.91 2pu8 h SER 210 N 0.65 0.64 -0.20 6.45 4.64 -1.97 -0.57 113.55 123.19 2pu8 h SER 210 Ca 0.24 -0.29 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 2pu8 h SER 210 Cb 0.07 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2pu8 h SER 210 CO -0.12 0.98 -0.49 1.62 -0.87 0.00 0.00 176.83 177.95 2pu8 h VAL 211 N 0.49 1.29 -0.33 0.95 3.04 -1.94 -2.96 116.25 116.79 2pu8 h VAL 211 Ca 0.04 -1.68 -0.11 0.00 -1.01 0.00 0.00 66.70 63.94 2pu8 h VAL 211 Cb 0.93 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2pu8 h VAL 211 CO 0.08 0.54 -0.24 0.11 -1.01 0.00 0.00 177.57 177.06 2pu8 h LYS 212 N 0.61 0.65 -0.72 4.17 1.57 -1.22 0.19 116.57 121.82 2pu8 h LYS 212 Ca 0.03 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2pu8 h LYS 212 Cb 1.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 2pu8 h LYS 212 CO 0.11 0.83 0.41 0.82 -0.57 0.00 0.00 179.45 181.05 2pu8 h ILE 213 N 0.57 1.21 -0.20 1.86 2.04 -1.14 0.62 117.51 122.47 2pu8 h ILE 213 Ca 0.08 -0.49 -0.16 0.00 1.00 0.00 0.00 64.86 65.29 2pu8 h ILE 213 Cb 0.71 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2pu8 h ILE 213 CO 0.05 0.22 -0.51 -0.33 0.00 0.00 0.00 178.15 177.59 2pu8 h GLU 214 N 1.00 0.70 -0.95 2.37 4.39 -1.17 -2.35 114.58 118.56 2pu8 h GLU 214 Ca 0.26 -0.48 0.06 0.00 0.34 0.00 0.00 59.36 59.54 2pu8 h GLU 214 Cb -0.01 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 2pu8 h GLU 214 CO -0.05 1.10 0.60 0.00 -1.16 0.00 0.00 179.01 179.51 2pu8 h ALA 215 N 0.59 1.31 -0.43 3.43 0.00 -0.31 -1.55 119.26 122.30 2pu8 h ALA 215 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pu8 h ALA 215 Cb 1.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2pu8 h ALA 215 CO 0.11 0.38 0.27 0.00 0.00 0.00 0.00 179.25 180.01 2pu8 h ALA 216 N 1.43 0.54 -0.80 0.00 0.00 -0.80 0.16 119.26 119.80 2pu8 h ALA 216 Ca 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2pu8 h ALA 216 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2pu8 h ALA 216 CO -0.17 0.02 0.41 0.87 0.00 0.00 0.00 179.25 180.38 2pu8 h LYS 217 N 0.57 1.14 -0.47 0.00 1.57 -1.03 0.88 116.57 119.22 2pu8 h LYS 217 Ca 0.15 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2pu8 h LYS 217 Cb -0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2pu8 h LYS 217 CO -0.03 0.86 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.48 2pu8 h LEU 218 N 1.12 0.92 -0.58 2.94 3.38 -1.01 -0.81 115.31 121.28 2pu8 h LEU 218 Ca 0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2pu8 h LEU 218 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2pu8 h LEU 218 CO -0.04 1.07 0.12 0.50 0.09 0.00 0.00 178.44 180.17 2pu8 h LYS 219 N 0.80 0.94 -0.91 1.13 3.64 -0.69 -1.27 116.57 120.21 2pu8 h LYS 219 Ca 0.12 -0.24 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2pu8 h LYS 219 Cb 0.70 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2pu8 h LYS 219 CO 0.05 0.88 0.59 -0.22 -2.27 0.00 0.00 179.45 178.48 2pu8 h LYS 220 N 0.84 1.09 -0.49 1.90 3.11 -0.55 0.11 116.57 122.58 2pu8 h LYS 220 Ca 0.18 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 2pu8 h LYS 220 Cb 0.38 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 2pu8 h LYS 220 CO 0.01 0.72 0.14 1.03 -2.81 0.00 0.00 179.45 178.54 2pu8 h SER 221 N 1.13 0.73 -0.72 4.20 0.87 -0.90 -1.89 113.55 116.97 2pu8 h SER 221 Ca 0.37 -0.22 0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2pu8 h SER 221 Cb 0.03 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 2pu8 h SER 221 CO -0.13 0.76 0.39 0.15 -0.53 0.00 0.00 176.83 177.48 2pu8 h PHE 222 N 0.66 0.72 0.00 2.24 3.57 -0.58 0.14 116.94 123.69 2pu8 h PHE 222 Ca 0.16 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2pu8 h PHE 222 Cb 0.30 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2pu8 h PHE 222 CO 0.02 0.31 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.09 2pu8 h LEU 223 N 0.70 0.00 0.00 0.59 3.38 -0.57 -3.40 115.31 116.01 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pu8 h LEU 223 CO -0.22 0.25 -0.65 0.35 0.09 0.00 0.00 178.44 178.27 2pu8 n THR 224 N -3.65 0.00 -2.74 0.22 -2.24 -0.73 -4.96 114.28 100.18 2pu8 n THR 224 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2pu8 n THR 224 Cb 0.38 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.00 6.72 -1.39 3.42 0.01 0.44 -4.89 113.70 116.01 2pu8 s SER 225 Ca 0.00 -2.12 -0.10 0.00 1.31 0.00 0.00 55.95 55.04 2pu8 s SER 225 Cb 0.00 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 63.82 2pu8 s SER 225 CO 0.00 -1.17 2.23 0.00 0.41 0.00 0.00 173.24 174.71 2pu8 n ALA 226 N 7.51 6.01 0.08 1.44 0.00 -1.26 -1.91 120.51 132.38 2pu8 n ALA 226 Ca 0.34 -4.04 -0.22 0.00 0.00 0.00 0.00 53.44 49.53 2pu8 n ALA 226 Cb 0.48 -3.16 -0.15 0.00 0.00 0.00 0.00 19.45 16.62 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 5.49 0.39 -3.04 0.00 5.08 -1.71 -3.45 114.58 117.34 2pu8 h GLU 227 Ca 0.57 -0.66 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2pu8 h GLU 227 Cb 0.52 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2pu8 h GLU 227 CO 1.70 1.30 0.21 -0.08 -1.00 0.00 0.00 179.01 181.14 2pu8 s THR 228 N -2.59 0.00 -0.33 1.13 -1.32 -0.87 -3.93 115.64 107.72 2pu8 s THR 228 Ca -0.13 -1.03 -0.27 0.00 -1.21 0.00 0.00 61.69 59.05 2pu8 s THR 228 Cb 0.05 -2.10 0.01 0.00 -1.51 0.00 0.00 72.50 68.96 2pu8 s THR 228 CO 0.87 0.00 0.98 -0.22 -2.21 0.00 0.00 174.62 174.04 2pu8 s LEU 229 N -2.94 3.97 0.28 9.08 2.96 -1.25 -1.42 118.68 129.36 2pu8 s LEU 229 Ca 0.12 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.93 2pu8 s LEU 229 Cb -0.06 -3.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 2pu8 s LEU 229 CO 0.08 -0.83 0.29 0.27 -1.32 0.00 0.00 176.35 174.83 2pu8 s ILE 230 N 3.49 4.33 0.09 6.68 -4.36 -0.38 -4.63 121.20 126.44 2pu8 s ILE 230 Ca 0.41 -1.26 -0.14 0.00 -0.26 0.00 0.00 60.65 59.39 2pu8 s ILE 230 Cb -0.12 -3.44 -0.12 0.00 1.25 0.00 0.00 42.46 40.03 2pu8 s ILE 230 CO 0.16 -0.28 1.35 -0.74 0.24 0.00 0.00 174.94 175.68 2pu8 h HIS 231 N 1.29 0.92 0.00 1.37 -0.00 -1.90 -3.08 115.15 113.75 2pu8 h HIS 231 Ca -0.48 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 59.55 2pu8 h HIS 231 Cb 1.24 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2pu8 h HIS 231 CO 0.51 1.13 0.00 0.41 -0.00 0.00 0.00 177.93 179.98 2pu8 n GLY 232 N 0.42 2.13 2.69 5.26 0.00 -1.26 -2.02 105.19 112.42 2pu8 n GLY 232 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.37 -3.84 1.61 2.03 -1.26 -4.87 116.55 108.84 2pu8 n ASP 233 Ca 0.00 -2.54 -0.42 0.00 0.52 0.00 0.00 54.79 52.35 2pu8 n ASP 233 Cb 0.00 0.79 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2pu8 n ASP 233 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2pu8 n LEU 234 N -0.48 6.73 -5.00 -2.67 7.94 -1.26 -4.70 117.00 117.56 2pu8 n LEU 234 Ca -0.01 -4.66 -0.19 0.00 -1.11 0.00 0.00 56.01 50.04 2pu8 n LEU 234 Cb 0.84 -1.47 0.03 0.00 0.53 0.00 0.00 43.42 43.35 2pu8 n LEU 234 CO -0.02 1.42 0.21 -1.38 -1.11 0.00 0.00 177.39 176.51 2pu8 s HIS 235 N 0.29 2.11 0.28 1.96 -3.43 -1.26 -2.82 115.29 112.42 2pu8 s HIS 235 Ca 0.40 -0.58 0.36 0.00 -0.80 0.00 0.00 55.06 54.44 2pu8 s HIS 235 Cb 0.10 -2.25 1.65 0.00 -1.43 0.00 0.00 32.58 30.65 2pu8 s HIS 235 CO 0.00 -0.71 2.09 1.79 -2.00 0.00 0.00 174.74 175.92 2pu8 h THR 236 N 0.49 0.06 0.00 -5.38 1.35 -1.90 -1.00 112.91 106.54 2pu8 h THR 236 Ca -0.35 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2pu8 h THR 236 Cb 1.28 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2pu8 h THR 236 CO 0.45 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2pu8 n GLY 237 N -0.31 -1.21 1.65 5.82 0.00 -1.26 -1.55 105.19 108.32 2pu8 n GLY 237 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 3.86 -3.83 1.61 7.64 -0.38 -4.91 113.62 116.15 2pu8 n SER 238 Ca 0.06 -3.41 -0.16 0.00 1.01 0.00 0.00 58.87 56.37 2pu8 n SER 238 Cb 0.24 -0.70 -0.16 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.10 0.15 -0.12 0.44 1.01 -1.24 -1.13 121.20 117.21 2pu8 s ILE 239 Ca 0.51 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.17 2pu8 s ILE 239 Cb 0.42 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.63 2pu8 s ILE 239 CO 0.09 0.12 0.11 -0.36 0.00 0.00 0.00 174.94 174.90 2pu8 s PHE 240 N 0.85 3.48 -0.00 3.97 0.08 -0.03 -0.90 117.98 125.42 2pu8 s PHE 240 Ca -0.08 0.42 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 2pu8 s PHE 240 Cb -0.12 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 2pu8 s PHE 240 CO -0.02 0.61 0.13 0.00 -0.10 0.00 0.00 175.22 175.85 2pu8 s ALA 241 N -0.79 -0.31 0.17 5.36 0.00 0.15 -0.98 121.76 125.36 2pu8 s ALA 241 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.00 2pu8 s ALA 241 Cb -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2pu8 s ALA 241 CO 0.03 -0.19 0.08 -1.13 0.00 0.00 0.00 175.76 174.55 2pu8 n SER 242 N 1.59 0.64 -0.30 0.00 3.41 -0.49 -1.58 113.62 116.89 2pu8 n SER 242 Ca -0.22 -1.94 0.08 0.00 -0.26 0.00 0.00 58.87 56.53 2pu8 n SER 242 Cb 0.56 0.53 0.23 0.00 -0.26 0.00 0.00 64.21 65.27 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 0.61 0.00 4.33 4.81 -2.01 -3.22 114.58 119.11 2pu8 h GLU 243 Ca -0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2pu8 h GLU 243 Cb 0.52 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2pu8 h GLU 243 CO 0.19 0.41 -1.16 0.72 -0.73 0.00 0.00 179.01 178.44 2pu8 n HIS 244 N -4.86 0.00 -4.36 0.92 8.25 -1.26 -4.37 115.22 109.54 2pu8 n HIS 244 Ca 0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.39 2pu8 n HIS 244 Cb 0.45 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.69 1.18 -0.01 -0.41 2.02 -1.22 -5.05 118.70 112.53 2pu8 s GLU 245 Ca 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2pu8 s GLU 245 Cb 0.10 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.92 2pu8 s GLU 245 CO 0.61 0.34 0.01 0.99 0.02 0.00 0.00 175.26 177.23 2pu8 s THR 246 N -1.09 0.02 -0.04 3.63 2.01 -1.26 -1.39 115.64 117.52 2pu8 s THR 246 Ca 0.07 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 2pu8 s THR 246 Cb -0.10 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.36 2pu8 s THR 246 CO 0.04 0.05 0.02 -0.54 -0.69 0.00 0.00 174.62 173.50 2pu8 s LYS 247 N 0.46 0.21 -0.12 4.92 -0.14 -0.16 -4.46 119.74 120.45 2pu8 s LYS 247 Ca -0.04 0.17 -0.21 0.00 -1.36 0.00 0.00 55.97 54.53 2pu8 s LYS 247 Cb -0.06 -0.53 -0.03 0.00 -1.68 0.00 0.00 37.83 35.53 2pu8 s LYS 247 CO -0.01 -0.21 0.63 0.08 -0.76 0.00 0.00 175.35 175.07 2pu8 s VAL 248 N 1.46 5.07 0.41 3.17 1.01 0.21 -0.85 120.40 130.88 2pu8 s VAL 248 Ca -0.04 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.24 2pu8 s VAL 248 Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2pu8 s VAL 248 CO -0.03 0.22 0.03 0.27 0.00 0.00 0.00 175.10 175.60 2pu8 s ILE 249 N 1.11 1.46 -1.26 2.22 -4.36 -0.28 -4.29 121.20 115.79 2pu8 s ILE 249 Ca 0.32 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 2pu8 s ILE 249 Cb -0.16 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2pu8 s ILE 249 CO 0.14 0.00 0.86 0.47 0.24 0.00 0.00 174.94 176.65 2pu8 n ASP 250 N -1.00 -1.83 -1.57 4.36 8.00 -1.26 -4.76 116.55 118.48 2pu8 n ASP 250 Ca -0.08 -0.72 -0.00 0.00 0.71 0.00 0.00 54.79 54.70 2pu8 n ASP 250 Cb 0.67 -4.58 -0.00 0.00 -0.02 0.00 0.00 41.12 37.18 2pu8 n ASP 250 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2pu8 n PRO 251 N -4.24 0.91 0.20 -0.24 -0.04 -1.26 -4.39 135.00 125.94 2pu8 n PRO 251 Ca -0.28 -0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2pu8 n PRO 251 Cb 0.67 -1.08 0.51 0.00 -0.04 0.00 0.00 33.50 33.56 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 1.40 0.00 -0.08 0.54 4.11 -1.86 -2.65 114.58 116.05 2pu8 h GLU 252 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2pu8 h GLU 252 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2pu8 h GLU 252 CO 0.01 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.28 2pu8 n PHE 253 N -2.70 0.09 -1.73 2.06 3.01 -1.25 -4.65 117.46 112.30 2pu8 n PHE 253 Ca 0.02 -0.05 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 2pu8 n PHE 253 Cb 0.33 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2pu8 n PHE 253 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pu8 n ALA 254 N -0.09 1.68 -3.77 4.37 0.00 -0.86 -4.43 120.51 117.42 2pu8 n ALA 254 Ca 0.17 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.96 2pu8 n ALA 254 Cb 0.26 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2pu8 n ALA 254 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2pu8 s PHE 255 N -1.08 -0.03 -0.55 0.00 -0.12 -1.16 -4.67 117.98 110.36 2pu8 s PHE 255 Ca 0.55 -0.18 -0.26 0.00 -0.05 0.00 0.00 56.93 56.98 2pu8 s PHE 255 Cb -0.54 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 42.49 2pu8 s PHE 255 CO 0.63 -0.53 1.07 0.71 -0.05 0.00 0.00 175.22 177.05 2pu8 s TYR 256 N -2.50 2.71 0.00 3.49 2.02 -1.26 -1.24 117.35 120.57 2pu8 s TYR 256 Ca 0.18 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.14 2pu8 s TYR 256 Cb 0.01 -4.30 0.00 0.00 -0.40 0.00 0.00 41.96 37.27 2pu8 s TYR 256 CO -0.00 -1.44 0.00 0.41 -1.57 0.00 0.00 175.55 172.95 2pu8 n GLY 257 N 5.06 3.99 3.76 0.71 0.00 -0.51 -4.33 105.19 113.87 2pu8 n GLY 257 Ca 0.06 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 4.57 0.37 1.61 0.04 -0.80 -2.06 135.00 136.74 2pu8 s PRO 258 Ca 0.00 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.00 2pu8 s PRO 258 Cb 0.00 -3.18 0.82 0.00 0.04 0.00 0.00 34.50 32.18 2pu8 s PRO 258 CO 0.00 0.10 1.94 0.82 0.04 0.00 0.00 177.00 179.90 2pu8 h ILE 259 N 3.20 0.95 0.00 0.56 2.04 -1.91 -2.58 117.51 119.77 2pu8 h ILE 259 Ca -0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2pu8 h ILE 259 Cb 1.21 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2pu8 h ILE 259 CO 0.68 0.12 0.00 1.23 0.00 0.00 0.00 178.15 180.18 2pu8 h GLY 260 N 0.67 0.00 0.95 5.37 0.00 -1.92 -3.37 103.07 104.77 2pu8 h GLY 260 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 2pu8 h GLY 260 CO -0.12 0.00 -0.25 -2.75 0.00 0.00 0.00 176.54 173.41 2pu8 h PHE 261 N 0.00 -0.66 -0.95 5.60 3.04 -1.79 0.86 116.94 123.05 2pu8 h PHE 261 Ca 0.00 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.99 2pu8 h PHE 261 Cb 0.44 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 39.11 2pu8 h PHE 261 CO 0.00 -0.38 0.62 -0.44 -2.02 0.00 0.00 178.31 176.09 2pu8 h ASP 262 N -0.77 0.98 -0.23 0.41 3.32 -1.79 -1.31 116.42 117.03 2pu8 h ASP 262 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2pu8 h ASP 262 Cb 0.57 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2pu8 h ASP 262 CO 0.12 0.64 0.11 0.58 -1.72 0.00 0.00 179.24 178.97 2pu8 h VAL 263 N 1.12 1.14 -0.48 -1.35 2.07 -1.68 -2.12 116.25 114.94 2pu8 h VAL 263 Ca 0.40 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2pu8 h VAL 263 Cb 0.13 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2pu8 h VAL 263 CO -0.14 0.14 0.18 1.23 0.02 0.00 0.00 177.57 178.99 2pu8 h GLY 264 N 0.24 0.78 1.20 2.17 0.00 -0.32 -2.14 103.07 105.00 2pu8 h GLY 264 Ca 0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 2pu8 h GLY 264 CO -0.01 0.41 -0.09 1.46 0.00 0.00 0.00 176.54 178.32 2pu8 h GLN 265 N 0.64 0.95 -0.01 4.80 4.20 -1.21 -0.46 115.11 124.02 2pu8 h GLN 265 Ca 0.16 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2pu8 h GLN 265 Cb 0.22 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2pu8 h GLN 265 CO -0.01 0.99 0.00 0.35 -0.67 0.00 0.00 178.83 179.49 2pu8 h PHE 266 N 0.85 0.02 -0.65 2.96 3.04 -1.22 -2.60 116.94 119.34 2pu8 h PHE 266 Ca 0.14 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.14 2pu8 h PHE 266 Cb 0.62 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 2pu8 h PHE 266 CO 0.04 0.27 0.37 0.82 -2.02 0.00 0.00 178.31 177.79 2pu8 h ILE 267 N -0.23 0.99 -0.80 1.41 2.04 -1.25 -1.37 117.51 118.31 2pu8 h ILE 267 Ca 0.00 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2pu8 h ILE 267 Cb 0.26 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2pu8 h ILE 267 CO 0.00 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.80 2pu8 h ALA 268 N 1.33 1.61 0.00 1.87 0.00 -1.01 -1.58 119.26 121.47 2pu8 h ALA 268 Ca 0.29 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2pu8 h ALA 268 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pu8 h ALA 268 CO -0.16 0.28 -0.46 -0.91 0.00 0.00 0.00 179.25 178.00 2pu8 h ASN 269 N 0.88 0.00 -0.34 0.00 2.35 -0.87 0.17 115.58 117.77 2pu8 h ASN 269 Ca 0.34 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 2pu8 h ASN 269 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2pu8 h ASN 269 CO -0.12 0.46 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.94 2pu8 h LEU 270 N 0.00 0.69 -0.81 1.61 3.38 -0.85 -2.43 115.31 116.91 2pu8 h LEU 270 Ca -0.00 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2pu8 h LEU 270 Cb 1.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2pu8 h LEU 270 CO 0.06 0.92 0.11 -0.26 0.09 0.00 0.00 178.44 179.36 2pu8 h PHE 271 N 0.46 1.06 -0.91 1.13 0.04 -0.95 -0.99 116.94 116.79 2pu8 h PHE 271 Ca 0.08 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2pu8 h PHE 271 Cb 0.63 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 2pu8 h PHE 271 CO 0.05 0.89 0.59 -0.07 -0.60 0.00 0.00 178.31 179.18 2pu8 h LEU 272 N 0.95 1.01 -0.59 1.54 3.38 -0.68 -1.58 115.31 119.34 2pu8 h LEU 272 Ca 0.19 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2pu8 h LEU 272 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2pu8 h LEU 272 CO 0.01 0.71 -0.16 -1.13 0.09 0.00 0.00 178.44 177.96 2pu8 h ASN 273 N 1.18 0.97 -0.69 -0.43 -0.73 -1.06 -2.87 115.58 111.94 2pu8 h ASN 273 Ca 0.35 -0.34 0.12 0.00 1.87 0.00 0.00 56.30 58.30 2pu8 h ASN 273 Cb -0.06 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 38.18 2pu8 h ASN 273 CO -0.10 1.11 0.26 0.00 -0.37 0.00 0.00 177.43 178.34 2pu8 h ALA 274 N 0.96 0.94 0.00 1.57 0.00 -0.74 -1.32 119.26 120.67 2pu8 h ALA 274 Ca 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2pu8 h ALA 274 Cb 0.72 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pu8 h ALA 274 CO 0.06 -0.20 -0.14 -0.07 0.00 0.00 0.00 179.25 178.89 2pu8 h LEU 275 N 0.43 0.00 0.00 0.00 3.38 -1.13 -1.98 115.31 116.01 2pu8 h LEU 275 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2pu8 h LEU 275 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pu8 h LEU 275 CO -0.37 0.14 -0.03 0.77 0.09 0.00 0.00 178.44 179.05 2pu8 h SER 276 N 0.00 0.00 -1.99 -0.43 4.64 -1.04 -3.46 113.55 111.28 2pu8 h SER 276 Ca -0.00 -0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.88 2pu8 h SER 276 Cb 0.36 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2pu8 h SER 276 CO 0.02 0.00 -0.17 -0.13 -0.87 0.00 0.00 176.83 175.68 2pu8 s ARG 277 N -3.17 2.76 0.07 4.77 0.52 -0.74 -4.97 118.95 118.19 2pu8 s ARG 277 Ca 0.08 -0.99 0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2pu8 s ARG 277 Cb 0.08 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 2pu8 s ARG 277 CO 0.64 -0.41 -0.22 -0.51 0.02 0.00 0.00 175.30 174.82 2pu8 s ASP 278 N -4.35 2.66 1.36 0.23 -0.00 -1.26 -4.90 116.67 110.41 2pu8 s ASP 278 Ca 0.54 -0.59 0.00 0.00 -0.00 0.00 0.00 52.55 52.50 2pu8 s ASP 278 Cb -0.10 -0.20 0.00 0.00 -0.00 0.00 0.00 42.92 42.62 2pu8 s ASP 278 CO 0.35 0.15 0.00 0.61 -0.00 0.00 0.00 175.17 176.28 2pu8 n GLY 279 N 1.58 3.19 0.24 0.21 0.00 -1.26 -2.09 105.19 107.05 2pu8 n GLY 279 Ca -0.18 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.90 1.00 0.00 4.61 0.00 -2.03 -2.49 119.26 119.46 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 -0.25 0.00 0.00 0.00 179.25 179.00 2pu8 n ASP 281 N -2.78 0.59 0.18 0.00 10.43 -0.89 -2.12 116.55 121.96 2pu8 n ASP 281 Ca -0.00 0.68 0.06 0.00 2.57 0.00 0.00 54.79 58.10 2pu8 n ASP 281 Cb 0.21 -0.79 0.17 0.00 1.84 0.00 0.00 41.12 42.55 2pu8 n ASP 281 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2pu8 h ARG 282 N 0.00 0.00 -0.54 -1.24 3.08 -1.56 -3.39 114.38 110.74 2pu8 h ARG 282 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2pu8 h ARG 282 Cb 0.25 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 2pu8 h ARG 282 CO 0.00 0.34 0.16 0.93 -1.07 0.00 0.00 179.97 180.33 2pu8 h GLU 283 N 0.00 0.31 -0.82 0.04 4.39 -1.63 -0.75 114.58 116.11 2pu8 h GLU 283 Ca -0.00 -0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.85 2pu8 h GLU 283 Cb 1.14 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.67 2pu8 h GLU 283 CO 0.04 0.20 0.55 -1.35 -1.16 0.00 0.00 179.01 177.30 2pu8 h PRO 284 N 0.32 0.42 -0.15 2.33 0.11 -1.81 0.93 132.00 134.14 2pu8 h PRO 284 Ca 0.27 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.16 2pu8 h PRO 284 Cb 0.34 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.37 2pu8 h PRO 284 CO -0.31 0.28 -0.67 -0.07 -0.21 0.00 0.00 178.00 177.02 2pu8 h LEU 285 N 0.43 0.85 -0.75 2.35 -0.00 -1.42 -1.32 115.31 115.45 2pu8 h LEU 285 Ca 0.42 -0.62 -0.03 0.00 -0.00 0.00 0.00 57.88 57.64 2pu8 h LEU 285 Cb 0.98 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 2pu8 h LEU 285 CO -0.15 1.34 0.34 1.88 -0.00 0.00 0.00 178.44 181.85 2pu8 h TYR 286 N 0.43 1.11 -0.95 1.13 0.99 -1.06 -0.95 116.97 117.66 2pu8 h TYR 286 Ca -0.04 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.64 2pu8 h TYR 286 Cb 1.30 -0.34 -0.05 0.00 1.00 0.00 0.00 36.73 38.65 2pu8 h TYR 286 CO 0.09 0.82 0.63 0.93 -0.00 0.00 0.00 178.16 180.64 2pu8 h GLU 287 N 1.07 1.24 -0.50 4.88 4.39 -0.77 -1.89 114.58 123.00 2pu8 h GLU 287 Ca 0.26 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2pu8 h GLU 287 Cb 0.15 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2pu8 h GLU 287 CO -0.03 0.82 0.25 0.45 -1.16 0.00 0.00 179.01 179.34 2pu8 h HIS 288 N 1.28 0.71 0.02 4.33 3.86 -0.82 0.08 115.15 124.62 2pu8 h HIS 288 Ca 0.35 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.55 2pu8 h HIS 288 Cb -0.14 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.09 2pu8 h HIS 288 CO -0.01 0.56 -0.13 0.28 0.86 0.00 0.00 177.93 179.49 2pu8 h VAL 289 N 0.66 0.68 -0.08 2.45 2.07 -0.89 0.45 116.25 121.59 2pu8 h VAL 289 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2pu8 h VAL 289 Cb 0.11 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2pu8 h VAL 289 CO -0.02 0.00 -0.20 -1.13 0.02 0.00 0.00 177.57 176.24 2pu8 h ASN 290 N -0.23 -0.60 -0.00 0.57 -0.73 -1.22 -2.72 115.58 110.64 2pu8 h ASN 290 Ca 0.04 0.10 -0.12 0.00 1.87 0.00 0.00 56.30 58.19 2pu8 h ASN 290 Cb 0.28 0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2pu8 h ASN 290 CO -0.12 -0.25 -0.35 -0.61 -0.37 0.00 0.00 177.43 175.73 2pu8 h GLN 291 N -0.27 0.48 -0.40 6.67 5.75 -0.76 -1.86 115.11 124.71 2pu8 h GLN 291 Ca 0.08 -0.22 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 2pu8 h GLN 291 Cb 0.40 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2pu8 h GLN 291 CO -0.24 0.77 -0.16 -0.24 -2.65 0.00 0.00 178.83 176.30 2pu8 h VAL 292 N 0.41 1.28 0.02 2.39 3.04 -0.84 0.46 116.25 123.00 2pu8 h VAL 292 Ca 0.04 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.44 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 0.43 -0.01 -0.25 -1.01 0.00 0.00 177.57 176.80 2pu8 h TRP 293 N 0.63 -0.02 -0.46 3.17 2.91 -1.34 -0.28 115.95 120.56 2pu8 h TRP 293 Ca 0.09 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.18 2pu8 h TRP 293 Cb 0.71 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.31 2pu8 h TRP 293 CO 0.06 0.19 0.13 1.49 -1.03 0.00 0.00 178.44 179.28 2pu8 h GLU 294 N -0.23 0.28 -0.43 2.65 4.81 -1.26 0.88 114.58 121.28 2pu8 h GLU 294 Ca -0.00 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2pu8 h GLU 294 Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2pu8 h GLU 294 CO 0.00 0.18 -0.22 1.15 -0.73 0.00 0.00 179.01 179.40 2pu8 h THR 295 N 0.29 1.28 0.02 0.32 2.02 -0.87 -1.18 112.91 114.78 2pu8 h THR 295 Ca 0.22 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.05 2pu8 h THR 295 Cb 0.25 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2pu8 h THR 295 CO -0.25 0.46 -0.08 0.15 0.37 0.00 0.00 175.52 176.17 2pu8 h PHE 296 N 0.73 -0.20 -0.62 3.16 3.57 -0.71 0.12 116.94 122.99 2pu8 h PHE 296 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2pu8 h PHE 296 Cb 0.79 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2pu8 h PHE 296 CO 0.06 -0.13 0.32 1.49 -2.23 0.00 0.00 178.31 177.83 2pu8 h GLU 297 N -0.15 0.88 -0.20 1.11 4.81 -0.75 0.01 114.58 120.29 2pu8 h GLU 297 Ca 0.02 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 2pu8 h GLU 297 Cb 0.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pu8 h GLU 297 CO -0.07 0.68 -0.54 1.05 -0.73 0.00 0.00 179.01 179.40 2pu8 h GLU 298 N 0.85 0.59 -0.08 1.92 4.11 -1.07 -1.39 114.58 119.49 2pu8 h GLU 298 Ca 0.22 -0.37 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2pu8 h GLU 298 Cb 0.07 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2pu8 h GLU 298 CO -0.03 0.98 -0.02 1.15 0.07 0.00 0.00 179.01 181.15 2pu8 h THR 299 N 0.45 1.29 -0.72 -1.06 2.02 -0.52 -0.88 112.91 113.49 2pu8 h THR 299 Ca 0.01 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.30 2pu8 h THR 299 Cb 1.08 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2pu8 h THR 299 CO 0.10 0.26 0.48 0.15 0.37 0.00 0.00 175.52 176.88 2pu8 h PHE 300 N -0.17 0.85 -0.23 3.16 3.04 -1.04 -1.76 116.94 120.79 2pu8 h PHE 300 Ca 0.02 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.79 2pu8 h PHE 300 Cb 0.42 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.65 2pu8 h PHE 300 CO 0.05 0.50 -0.65 0.77 -2.02 0.00 0.00 178.31 176.96 2pu8 h SER 301 N 0.89 0.97 -0.49 0.41 0.02 -1.08 -1.56 113.55 112.70 2pu8 h SER 301 Ca 0.28 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 2pu8 h SER 301 Cb 0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2pu8 h SER 301 CO -0.08 1.37 0.13 -0.33 -1.14 0.00 0.00 176.83 176.78 2pu8 h GLU 302 N 0.62 0.78 -0.31 3.45 3.07 -0.90 -1.58 114.58 119.70 2pu8 h GLU 302 Ca -0.02 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.64 2pu8 h GLU 302 Cb 1.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2pu8 h GLU 302 CO 0.14 0.75 0.12 0.00 -1.40 0.00 0.00 179.01 178.62 2pu8 h ALA 303 N 0.99 0.41 -0.21 3.43 0.00 -1.32 -1.80 119.26 120.75 2pu8 h ALA 303 Ca 0.15 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2pu8 h ALA 303 Cb 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2pu8 h ALA 303 CO -0.00 0.01 -0.10 2.35 0.00 0.00 0.00 179.25 181.51 2pu8 h TRP 304 N 0.36 -0.25 -0.78 0.00 2.91 -1.22 0.37 115.95 117.34 2pu8 h TRP 304 Ca 0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2pu8 h TRP 304 Cb 0.19 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.95 2pu8 h TRP 304 CO -0.00 -0.16 0.50 1.96 -1.03 0.00 0.00 178.44 179.70 2pu8 h GLN 305 N -0.08 1.03 0.18 2.65 4.20 -1.14 -2.76 115.11 119.20 2pu8 h GLN 305 Ca 0.12 -0.07 -0.32 0.00 0.06 0.00 0.00 58.65 58.43 2pu8 h GLN 305 Cb 0.25 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.82 2pu8 h GLN 305 CO -0.26 0.70 -1.50 -0.22 -0.67 0.00 0.00 178.83 176.88 2pu8 h LYS 306 N 1.05 0.38 0.00 1.46 3.64 -1.13 -3.42 116.57 118.57 2pu8 h LYS 306 Ca 0.28 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2pu8 h LYS 306 Cb -0.09 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2pu8 h LYS 306 CO -0.06 1.29 -0.17 -0.25 -2.27 0.00 0.00 179.45 177.99 2pu8 n ASP 307 N -3.59 1.13 -4.76 4.20 10.43 0.13 -5.05 116.55 119.05 2pu8 n ASP 307 Ca -0.16 -2.21 -0.40 0.00 2.57 0.00 0.00 54.79 54.59 2pu8 n ASP 307 Cb 1.07 -0.21 -0.06 0.00 1.84 0.00 0.00 41.12 43.76 2pu8 n ASP 307 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2pu8 s SER 308 N -1.48 7.54 0.00 -2.24 0.15 -1.04 -4.56 113.70 112.07 2pu8 s SER 308 Ca 0.11 1.99 0.23 0.00 0.70 0.00 0.00 55.95 58.97 2pu8 s SER 308 Cb 0.10 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 2pu8 s SER 308 CO 0.01 0.08 1.15 0.18 1.20 0.00 0.00 173.24 175.85 2pu8 n LEU 309 N 1.31 1.27 -4.67 3.45 4.77 -0.44 -4.95 117.00 117.75 2pu8 n LEU 309 Ca -0.01 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.07 2pu8 n LEU 309 Cb 0.47 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2pu8 n LEU 309 CO 0.50 0.26 0.78 -0.62 -1.33 0.00 0.00 177.39 176.98 2pu8 s ASP 310 N -2.75 7.08 0.60 -1.43 3.68 -1.26 -4.94 116.67 117.66 2pu8 s ASP 310 Ca 0.14 1.34 0.31 0.00 2.13 0.00 0.00 52.55 56.48 2pu8 s ASP 310 Cb 0.17 -2.51 1.79 0.00 -1.45 0.00 0.00 42.92 40.93 2pu8 s ASP 310 CO 0.69 -0.52 2.17 -0.37 0.13 0.00 0.00 175.17 177.27 2pu8 h VAL 311 N 5.28 0.40 0.00 1.11 -1.51 -1.99 -2.00 116.25 117.54 2pu8 h VAL 311 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2pu8 h VAL 311 Cb 1.11 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2pu8 h VAL 311 CO 0.90 0.00 -0.16 -1.22 -1.23 0.00 0.00 177.57 175.85 2pu8 n TYR 312 N -3.68 0.75 -0.03 5.19 4.02 -1.26 -4.34 117.16 117.80 2pu8 n TYR 312 Ca -0.00 0.22 0.13 0.00 -0.01 0.00 0.00 57.90 58.23 2pu8 n TYR 312 Cb 0.23 -0.82 0.55 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 2.57 2.09 -0.11 -0.72 0.00 -1.76 -2.24 119.26 119.09 2pu8 h ALA 313 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pu8 h ALA 313 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2pu8 h ALA 313 CO 0.00 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.12 2pu8 n ASN 314 N -4.46 1.54 -4.65 0.00 4.13 -1.26 -4.55 115.26 106.00 2pu8 n ASN 314 Ca 0.08 -1.62 -0.43 0.00 1.68 0.00 0.00 54.58 54.30 2pu8 n ASN 314 Cb 0.38 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 2pu8 n ASN 314 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pu8 s ILE 315 N -1.86 4.72 -0.38 2.41 1.01 -0.84 -4.95 121.20 121.30 2pu8 s ILE 315 Ca 0.34 1.85 -0.45 0.00 0.00 0.00 0.00 60.65 62.40 2pu8 s ILE 315 Cb 0.18 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 2pu8 s ILE 315 CO 0.29 -0.17 1.46 -0.67 0.00 0.00 0.00 174.94 175.85 2pu8 n ASP 316 N 6.26 0.91 0.00 3.58 -0.08 -1.26 -1.19 116.55 124.77 2pu8 n ASP 316 Ca 0.10 1.18 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 2pu8 n ASP 316 Cb 0.47 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.04 2pu8 n ASP 316 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pu8 n GLY 317 N 3.38 2.59 0.06 0.27 0.00 -1.26 -4.94 105.19 105.28 2pu8 n GLY 317 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.01 -0.74 1.61 3.20 -1.49 -1.66 116.97 117.89 2pu8 h TYR 318 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2pu8 h TYR 318 Cb 0.00 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2pu8 h TYR 318 CO 0.00 0.56 0.39 1.25 -1.64 0.00 0.00 178.16 178.72 2pu8 h LEU 319 N -0.58 0.54 -0.36 2.82 5.85 -1.80 -0.96 115.31 120.81 2pu8 h LEU 319 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2pu8 h LEU 319 Cb 0.57 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2pu8 h LEU 319 CO 0.00 0.32 0.24 0.74 -0.34 0.00 0.00 178.44 179.40 2pu8 h THR 320 N 0.68 1.10 -0.11 1.05 2.02 -1.92 -0.36 112.91 115.36 2pu8 h THR 320 Ca 0.35 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 2pu8 h THR 320 Cb 0.33 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2pu8 h THR 320 CO -0.24 0.10 -0.42 0.44 0.37 0.00 0.00 175.52 175.76 2pu8 h ASP 321 N 0.49 0.25 -0.12 4.18 3.32 -1.10 -1.65 116.42 121.78 2pu8 h ASP 321 Ca 0.13 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pu8 h ASP 321 Cb -0.05 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2pu8 h ASP 321 CO -0.03 0.65 0.06 0.74 -1.72 0.00 0.00 179.24 178.94 2pu8 h THR 322 N 0.20 1.12 -0.92 0.35 2.02 -0.74 -2.47 112.91 112.48 2pu8 h THR 322 Ca 0.02 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2pu8 h THR 322 Cb 0.84 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 2pu8 h THR 322 CO 0.07 0.11 0.61 -0.07 0.37 0.00 0.00 175.52 176.60 2pu8 h LEU 323 N 0.07 1.05 -1.01 2.58 3.38 -0.91 -1.83 115.31 118.65 2pu8 h LEU 323 Ca 0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2pu8 h LEU 323 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2pu8 h LEU 323 CO -0.01 0.76 0.23 0.28 0.09 0.00 0.00 178.44 179.79 2pu8 h SER 324 N 1.24 0.87 -0.20 -0.43 0.02 -1.19 0.35 113.55 114.21 2pu8 h SER 324 Ca 0.34 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2pu8 h SER 324 Cb -0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.18 2pu8 h SER 324 CO -0.07 0.79 -0.52 -0.74 -1.14 0.00 0.00 176.83 175.15 2pu8 h HIS 325 N 0.92 0.91 -0.44 3.45 -0.00 -1.16 -1.86 115.15 116.97 2pu8 h HIS 325 Ca 0.21 -0.35 0.05 0.00 -0.00 0.00 0.00 60.37 60.28 2pu8 h HIS 325 Cb 0.22 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 2pu8 h HIS 325 CO 0.02 1.15 0.18 0.82 -0.00 0.00 0.00 177.93 180.10 2pu8 h ILE 326 N 0.42 0.90 -0.11 6.26 2.04 -1.10 -1.94 117.51 123.98 2pu8 h ILE 326 Ca -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2pu8 h ILE 326 Cb 1.14 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2pu8 h ILE 326 CO 0.11 0.07 -0.05 0.15 0.00 0.00 0.00 178.15 178.43 2pu8 h PHE 327 N 0.37 -0.13 -0.27 1.37 3.57 -0.91 0.41 116.94 121.35 2pu8 h PHE 327 Ca 0.20 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2pu8 h PHE 327 Cb 0.17 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2pu8 h PHE 327 CO -0.14 -0.09 0.13 1.49 -2.23 0.00 0.00 178.31 177.48 2pu8 h GLU 328 N -0.05 0.27 -0.41 1.11 4.81 -1.18 -1.79 114.58 117.35 2pu8 h GLU 328 Ca 0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2pu8 h GLU 328 Cb 0.14 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2pu8 h GLU 328 CO -0.14 0.18 0.13 0.93 -0.73 0.00 0.00 179.01 179.37 2pu8 h GLU 329 N 0.28 0.63 -0.75 1.92 5.08 -1.21 -2.24 114.58 118.29 2pu8 h GLU 329 Ca 0.11 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2pu8 h GLU 329 Cb 0.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 2pu8 h GLU 329 CO -0.08 0.63 0.41 0.00 -1.00 0.00 0.00 179.01 178.97 2pu8 h ALA 330 N 0.97 1.04 -0.54 3.43 0.00 -0.72 0.22 119.26 123.67 2pu8 h ALA 330 Ca 0.13 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2pu8 h ALA 330 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2pu8 h ALA 330 CO -0.00 0.04 -0.08 0.82 0.00 0.00 0.00 179.25 180.03 2pu8 h ILE 331 N 0.71 1.27 -0.28 0.00 1.08 -1.19 0.84 117.51 119.94 2pu8 h ILE 331 Ca 0.36 -1.22 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2pu8 h ILE 331 Cb 0.32 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2pu8 h ILE 331 CO -0.24 0.43 0.10 1.23 -0.69 0.00 0.00 178.15 178.98 2pu8 h GLY 332 N 0.96 0.45 1.49 5.37 0.00 -0.66 -2.20 103.07 108.49 2pu8 h GLY 332 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2pu8 h GLY 332 CO 0.04 0.24 -0.10 0.74 0.00 0.00 0.00 176.54 177.47 2pu8 h PHE 333 N 0.29 0.66 -0.83 5.60 0.04 -0.46 -2.45 116.94 119.78 2pu8 h PHE 333 Ca 0.09 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.78 2pu8 h PHE 333 Cb 0.21 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 2pu8 h PHE 333 CO -0.00 0.69 0.54 0.00 -0.60 0.00 0.00 178.31 178.94 2pu8 h ALA 334 N 1.33 1.08 -0.55 2.45 0.00 -0.70 -1.95 119.26 120.93 2pu8 h ALA 334 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2pu8 h ALA 334 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pu8 h ALA 334 CO 0.03 0.40 0.03 0.78 0.00 0.00 0.00 179.25 180.49 2pu8 h GLY 335 N 1.07 0.98 1.01 0.00 0.00 -1.04 0.19 103.07 105.28 2pu8 h GLY 335 Ca 0.32 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2pu8 h GLY 335 CO -0.10 0.61 0.16 0.00 0.00 0.00 0.00 176.54 177.21 2pu8 h GLU 337 N 0.87 0.92 -0.35 0.00 4.57 -1.02 0.38 114.58 119.96 2pu8 h GLU 337 Ca 0.19 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2pu8 h GLU 337 Cb 0.33 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 2pu8 h GLU 337 CO -0.00 0.93 0.01 -0.07 -1.18 0.00 0.00 179.01 178.70 2pu8 h LEU 338 N 0.80 -0.11 0.04 1.64 3.38 -0.91 -2.18 115.31 117.96 2pu8 h LEU 338 Ca 0.15 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2pu8 h LEU 338 Cb 0.51 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2pu8 h LEU 338 CO 0.02 -0.02 -0.02 0.40 0.09 0.00 0.00 178.44 178.91 2pu8 h ILE 339 N 0.11 1.25 -0.83 1.22 2.04 -1.25 -3.24 117.51 116.82 2pu8 h ILE 339 Ca 0.17 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.15 2pu8 h ILE 339 Cb 0.22 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2pu8 h ILE 339 CO -0.27 0.24 0.54 -0.09 0.00 0.00 0.00 178.15 178.57 2pu8 h ARG 340 N -0.48 0.80 0.00 2.37 1.12 -0.89 -1.60 114.38 115.71 2pu8 h ARG 340 Ca -0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2pu8 h ARG 340 Cb 0.44 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2pu8 h ARG 340 CO 0.01 0.53 0.00 0.00 -3.11 0.00 0.00 179.97 177.40 2pu8 h ARG 341 N 0.82 0.00 0.12 0.20 2.47 -1.45 -0.71 114.38 115.83 2pu8 h ARG 341 Ca 0.37 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.73 2pu8 h ARG 341 Cb 0.37 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2pu8 h ARG 341 CO -0.14 0.00 -2.01 2.41 0.56 0.00 0.00 179.97 180.78 2pu8 n THR 342 N -2.54 1.76 -0.26 2.04 -1.04 -0.64 -3.61 114.28 109.99 2pu8 n THR 342 Ca 0.04 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 2pu8 n THR 342 Cb 0.40 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2pu8 n THR 342 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2pu8 n ILE 343 N -3.50 0.00 -1.23 12.58 -5.35 -0.94 -4.81 119.36 116.11 2pu8 n ILE 343 Ca -0.33 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2pu8 n ILE 343 Cb 1.04 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 40.19 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 0.21 -0.63 0.24 3.28 0.00 -0.27 -0.56 105.19 107.47 2pu8 n GLY 344 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 0.79 -8.29 0.99 6.46 -1.72 -3.11 115.31 110.42 2pu8 h LEU 345 Ca 0.00 -0.30 -0.73 0.00 -0.12 0.00 0.00 57.88 56.73 2pu8 h LEU 345 Cb 0.00 -0.21 -0.24 0.00 -0.73 0.00 0.00 40.66 39.48 2pu8 h LEU 345 CO 0.00 0.90 -0.41 0.00 -0.62 0.00 0.00 178.44 178.32 2pu8 s ALA 346 N -5.02 3.44 0.66 1.25 0.00 -1.26 -4.89 121.76 115.93 2pu8 s ALA 346 Ca -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 49.80 2pu8 s ALA 346 Cb 0.11 -2.87 0.08 0.00 0.00 0.00 0.00 23.12 20.44 2pu8 s ALA 346 CO 0.81 -1.62 0.93 -1.01 0.00 0.00 0.00 175.76 174.87 2pu8 s HIS 347 N 1.58 2.47 0.08 0.00 3.76 -1.26 -4.36 115.29 117.56 2pu8 s HIS 347 Ca 0.04 0.07 0.08 0.00 -0.15 0.00 0.00 55.06 55.09 2pu8 s HIS 347 Cb -0.22 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 2pu8 s HIS 347 CO 0.06 -1.35 -0.16 0.14 -0.85 0.00 0.00 174.74 172.58 2pu8 s VAL 348 N -3.07 2.98 0.26 -0.90 -7.23 -1.24 -5.03 120.40 106.17 2pu8 s VAL 348 Ca 0.61 -1.31 0.23 0.00 -1.81 0.00 0.00 61.98 59.70 2pu8 s VAL 348 Cb -0.09 -2.33 0.21 0.00 0.56 0.00 0.00 36.38 34.73 2pu8 s VAL 348 CO 0.43 0.20 1.88 0.00 -0.31 0.00 0.00 175.10 177.30 2pu8 h ALA 349 N 4.02 1.13 -0.51 1.32 0.00 -1.98 -2.56 119.26 120.69 2pu8 h ALA 349 Ca -0.49 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.30 2pu8 h ALA 349 Cb 1.16 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2pu8 h ALA 349 CO 0.48 0.30 -0.08 -0.44 0.00 0.00 0.00 179.25 179.51 2pu8 h ASP 350 N 0.00 -0.38 0.18 0.00 5.19 -1.93 -2.07 116.42 117.40 2pu8 h ASP 350 Ca -0.00 0.14 -0.31 0.00 -0.62 0.00 0.00 57.03 56.24 2pu8 h ASP 350 Cb 0.64 0.28 0.02 0.00 0.18 0.00 0.00 39.33 40.45 2pu8 h ASP 350 CO 0.03 -0.14 -1.50 -0.07 -3.12 0.00 0.00 179.24 174.44 2pu8 h LEU 351 N 0.04 0.61 -1.36 1.55 3.38 -1.80 -3.34 115.31 114.38 2pu8 h LEU 351 Ca 0.25 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 2pu8 h LEU 351 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2pu8 h LEU 351 CO -0.49 1.69 -0.22 0.44 0.09 0.00 0.00 178.44 179.94 2pu8 h ASP 352 N -0.03 0.00 -0.05 -0.43 3.45 -1.38 -2.89 116.42 115.09 2pu8 h ASP 352 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 2pu8 h ASP 352 Cb 1.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.76 2pu8 h ASP 352 CO 0.17 0.22 0.00 0.35 -1.57 0.00 0.00 179.24 178.41 2pu8 n THR 353 N -3.52 0.03 -1.72 0.35 -2.24 -0.79 -4.92 114.28 101.46 2pu8 n THR 353 Ca -0.01 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 2pu8 n THR 353 Cb 0.38 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.06 0.51 -4.22 2.28 5.41 -1.09 -5.03 119.36 118.28 2pu8 n ILE 354 Ca 0.15 -0.13 -0.18 0.00 1.00 0.00 0.00 62.75 63.59 2pu8 n ILE 354 Cb 0.54 -1.90 -0.11 0.00 -0.71 0.00 0.00 39.64 37.45 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 0.55 1.27 1.10 1.39 -7.23 -1.26 -4.50 120.40 111.71 2pu8 s VAL 355 Ca 0.70 -1.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.11 2pu8 s VAL 355 Cb -0.53 -1.39 0.25 0.00 0.56 0.00 0.00 36.38 35.28 2pu8 s VAL 355 CO 0.41 -0.34 1.20 -2.16 -0.31 0.00 0.00 175.10 173.90 2pu8 s PRO 356 N -2.34 -0.45 0.23 4.82 0.04 -1.26 -4.84 135.00 131.20 2pu8 s PRO 356 Ca 0.05 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 60.80 2pu8 s PRO 356 Cb -0.07 -1.70 0.38 0.00 0.04 0.00 0.00 34.50 33.15 2pu8 s PRO 356 CO 0.03 -3.17 1.76 0.35 0.04 0.00 0.00 177.00 176.00 2pu8 h PHE 357 N -2.19 0.58 -0.32 0.56 3.57 -2.00 -1.52 116.94 115.62 2pu8 h PHE 357 Ca -0.44 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 2pu8 h PHE 357 Cb 1.27 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2pu8 h PHE 357 CO -1.76 0.16 -0.08 -0.44 -2.23 0.00 0.00 178.31 173.96 2pu8 h ASP 358 N 0.53 0.50 -0.48 0.41 3.32 -1.96 -0.93 116.42 117.81 2pu8 h ASP 358 Ca 0.37 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2pu8 h ASP 358 Cb 0.47 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2pu8 h ASP 358 CO -0.32 0.62 -0.10 0.50 -1.72 0.00 0.00 179.24 178.22 2pu8 h LYS 359 N 0.49 0.96 -0.21 3.56 3.64 -1.72 -2.42 116.57 120.86 2pu8 h LYS 359 Ca 0.10 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 2pu8 h LYS 359 Cb 0.44 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2pu8 h LYS 359 CO 0.02 1.01 0.11 -0.09 -2.27 0.00 0.00 179.45 178.23 2pu8 h ARG 360 N 0.85 0.22 -0.66 1.90 2.43 -0.50 -1.31 114.38 117.32 2pu8 h ARG 360 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2pu8 h ARG 360 Cb 0.65 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2pu8 h ARG 360 CO 0.04 0.15 0.43 0.82 -1.51 0.00 0.00 179.97 179.90 2pu8 h ILE 361 N 0.23 1.18 -0.60 1.20 1.08 -1.15 -1.05 117.51 118.40 2pu8 h ILE 361 Ca 0.09 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2pu8 h ILE 361 Cb 0.02 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 2pu8 h ILE 361 CO -0.06 0.17 0.38 1.23 -0.69 0.00 0.00 178.15 179.19 2pu8 h GLY 362 N 0.89 0.86 1.90 5.37 0.00 -1.20 -0.54 103.07 110.35 2pu8 h GLY 362 Ca 0.24 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 2pu8 h GLY 362 CO -0.05 0.33 -0.58 3.21 0.00 0.00 0.00 176.54 179.45 2pu8 h ARG 363 N 0.81 0.10 -0.14 4.80 2.47 -1.04 -2.28 114.38 119.10 2pu8 h ARG 363 Ca 0.22 -0.07 -0.16 0.00 -1.26 0.00 0.00 59.98 58.71 2pu8 h ARG 363 Cb -0.06 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2pu8 h ARG 363 CO -0.04 0.65 -0.59 0.87 0.56 0.00 0.00 179.97 181.41 2pu8 h LYS 364 N 0.08 0.47 -0.42 0.04 1.57 -0.92 -1.78 116.57 115.61 2pu8 h LYS 364 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2pu8 h LYS 364 Cb 1.04 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2pu8 h LYS 364 CO 0.08 0.93 0.28 -0.09 -0.57 0.00 0.00 179.45 180.08 2pu8 h ARG 365 N 0.35 0.56 -0.67 3.15 2.43 -0.97 -2.38 114.38 116.86 2pu8 h ARG 365 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2pu8 h ARG 365 Cb 1.13 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 2pu8 h ARG 365 CO 0.11 0.38 0.34 -0.07 -1.51 0.00 0.00 179.97 179.21 2pu8 h LEU 366 N 0.57 0.85 -0.73 3.80 3.38 -1.27 -0.75 115.31 121.16 2pu8 h LEU 366 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2pu8 h LEU 366 Cb -0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 2pu8 h LEU 366 CO -0.03 0.71 0.43 0.00 0.09 0.00 0.00 178.44 179.64 2pu8 h ALA 367 N 1.43 0.93 -0.66 1.53 0.00 -1.22 0.16 119.26 121.43 2pu8 h ALA 367 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2pu8 h ALA 367 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2pu8 h ALA 367 CO -0.03 0.41 0.34 -0.07 0.00 0.00 0.00 179.25 179.90 2pu8 h LEU 368 N 1.00 0.84 0.02 0.00 3.38 -1.03 -1.38 115.31 118.14 2pu8 h LEU 368 Ca 0.26 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 2pu8 h LEU 368 Cb -0.02 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.54 2pu8 h LEU 368 CO -0.05 0.71 -0.91 -0.33 0.09 0.00 0.00 178.44 177.96 2pu8 h GLU 369 N 0.90 0.58 -0.49 1.13 5.08 -0.88 -2.25 114.58 118.65 2pu8 h GLU 369 Ca 0.23 -0.65 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 2pu8 h GLU 369 Cb 0.08 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2pu8 h GLU 369 CO -0.03 1.26 -0.14 1.79 -1.00 0.00 0.00 179.01 180.88 2pu8 h THR 370 N 0.18 1.27 -0.96 1.13 1.35 -0.75 -1.81 112.91 113.32 2pu8 h THR 370 Ca -0.12 -1.29 0.06 0.00 -0.55 0.00 0.00 66.41 64.50 2pu8 h THR 370 Cb 1.59 1.08 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 2pu8 h THR 370 CO 0.18 0.45 0.62 1.23 -0.25 0.00 0.00 175.52 177.74 2pu8 h GLY 371 N 0.82 1.45 0.88 5.82 0.00 -1.28 -0.23 103.07 110.52 2pu8 h GLY 371 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2pu8 h GLY 371 CO 0.05 0.34 -0.05 -0.84 0.00 0.00 0.00 176.54 176.04 2pu8 h THR 372 N 1.14 1.28 -0.57 4.70 2.02 -1.24 -1.45 112.91 118.79 2pu8 h THR 372 Ca 0.41 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 2pu8 h THR 372 Cb 0.13 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2pu8 h THR 372 CO -0.16 0.34 0.30 0.00 0.37 0.00 0.00 175.52 176.36 2pu8 h ALA 373 N 0.79 0.73 -0.11 6.16 0.00 -1.02 -1.79 119.26 124.02 2pu8 h ALA 373 Ca 0.07 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2pu8 h ALA 373 Cb 0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2pu8 h ALA 373 CO 0.03 0.26 -0.11 0.74 0.00 0.00 0.00 179.25 180.16 2pu8 h PHE 374 N 0.76 -0.28 -0.05 0.00 -1.00 -0.89 0.20 116.94 115.67 2pu8 h PHE 374 Ca 0.20 0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.01 2pu8 h PHE 374 Cb 0.07 0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 2pu8 h PHE 374 CO -0.01 -0.17 -0.06 0.82 -1.61 0.00 0.00 178.31 177.28 2pu8 h ILE 375 N -0.14 0.84 0.00 -0.55 2.04 -1.09 -1.95 117.51 116.66 2pu8 h ILE 375 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.77 2pu8 h ILE 375 Cb 0.26 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2pu8 h ILE 375 CO -0.20 0.00 -0.81 -0.33 0.00 0.00 0.00 178.15 176.81 2pu8 h GLU 376 N -0.08 0.00 -0.40 2.37 5.08 -1.12 -3.25 114.58 117.18 2pu8 h GLU 376 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pu8 h GLU 376 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2pu8 h GLU 376 CO -0.09 0.81 0.00 1.63 -1.00 0.00 0.00 179.01 180.36 2pu8 n LYS 377 N -3.46 2.49 -0.29 2.33 5.02 0.68 -4.67 118.16 120.25 2pu8 n LYS 377 Ca -0.00 -2.28 0.24 0.00 -2.02 0.00 0.00 58.31 54.25 2pu8 n LYS 377 Cb 0.81 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.88 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 4.34 0.30 -0.00 1.97 0.11 -1.39 0.15 114.38 119.87 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 0.97 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2pu8 h ARG 378 CO 0.00 0.20 -0.25 -1.13 0.10 0.00 0.00 179.97 178.89 2pu8 n SER 379 N -4.50 0.39 0.03 0.08 3.41 -1.26 -3.80 113.62 107.96 2pu8 n SER 379 Ca 0.23 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 2pu8 n SER 379 Cb 0.88 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.66 2pu8 n SER 379 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2pu8 h GLU 380 N 0.21 0.05 -6.84 4.33 5.08 -1.04 -3.47 114.58 112.90 2pu8 h GLU 380 Ca 0.00 -0.08 -0.53 0.00 -1.00 0.00 0.00 59.36 57.75 2pu8 h GLU 380 Cb 0.47 0.03 0.07 0.00 0.50 0.00 0.00 28.75 29.82 2pu8 h GLU 380 CO 0.00 0.84 0.71 -0.06 -1.00 0.00 0.00 179.01 179.49 2pu8 s PHE 381 N -2.65 2.97 -0.18 4.33 0.40 -1.21 -4.95 117.98 116.69 2pu8 s PHE 381 Ca -0.03 1.23 0.11 0.00 -0.60 0.00 0.00 56.93 57.63 2pu8 s PHE 381 Cb 0.09 -3.79 -0.18 0.00 0.51 0.00 0.00 43.02 39.65 2pu8 s PHE 381 CO 0.83 -2.34 -0.02 0.36 0.70 0.00 0.00 175.22 174.75 2pu8 n LYS 382 N 1.33 1.09 -4.14 0.44 0.00 -1.26 -4.99 118.16 110.64 2pu8 n LYS 382 Ca 0.03 0.03 -0.09 0.00 -0.00 0.00 0.00 58.31 58.27 2pu8 n LYS 382 Cb 0.41 -1.42 -0.10 0.00 -0.00 0.00 0.00 35.03 33.92 2pu8 n LYS 382 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2pu8 s THR 383 N -2.40 0.11 0.46 0.58 -4.23 -1.26 -5.04 115.64 103.86 2pu8 s THR 383 Ca -0.14 -1.89 0.12 0.00 -1.18 0.00 0.00 61.69 58.59 2pu8 s THR 383 Cb 0.06 -1.99 0.25 0.00 1.34 0.00 0.00 72.50 72.15 2pu8 s THR 383 CO 0.61 -0.52 2.07 -0.29 -0.54 0.00 0.00 174.62 175.96 2pu8 h ILE 384 N 2.89 1.07 -0.90 2.99 6.09 -1.96 -2.44 117.51 125.26 2pu8 h ILE 384 Ca -0.35 -0.22 0.01 0.00 -1.37 0.00 0.00 64.86 62.93 2pu8 h ILE 384 Cb 1.19 0.87 -0.05 0.00 0.47 0.00 0.00 36.82 39.31 2pu8 h ILE 384 CO 0.60 0.08 0.59 0.74 -3.07 0.00 0.00 178.15 177.09 2pu8 h THR 385 N 0.23 1.21 -0.80 2.19 2.02 -1.96 -1.30 112.91 114.51 2pu8 h THR 385 Ca 0.06 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2pu8 h THR 385 Cb 0.05 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.34 2pu8 h THR 385 CO -0.01 0.22 0.32 0.44 0.37 0.00 0.00 175.52 176.86 2pu8 h ASP 386 N 1.20 1.09 0.15 4.18 3.32 -1.85 0.11 116.42 124.62 2pu8 h ASP 386 Ca 0.33 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2pu8 h ASP 386 Cb -0.11 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.16 2pu8 h ASP 386 CO -0.08 0.96 -0.07 0.58 -1.72 0.00 0.00 179.24 178.91 2pu8 h VAL 387 N 1.16 0.92 -0.45 -1.35 2.07 -1.34 -1.44 116.25 115.82 2pu8 h VAL 387 Ca 0.27 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2pu8 h VAL 387 Cb 0.21 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2pu8 h VAL 387 CO -0.02 0.06 0.22 0.40 0.02 0.00 0.00 177.57 178.25 2pu8 h ILE 388 N -0.32 0.96 -0.48 4.57 2.04 -1.08 -1.42 117.51 121.77 2pu8 h ILE 388 Ca -0.02 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2pu8 h ILE 388 Cb 0.25 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2pu8 h ILE 388 CO 0.03 0.08 -0.11 -0.33 0.00 0.00 0.00 178.15 177.82 2pu8 h GLU 389 N 0.45 0.89 -0.27 2.37 4.39 -0.73 -0.17 114.58 121.50 2pu8 h GLU 389 Ca 0.20 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2pu8 h GLU 389 Cb 0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2pu8 h GLU 389 CO -0.14 0.95 0.11 1.25 -1.16 0.00 0.00 179.01 180.03 2pu8 h LEU 390 N 0.80 0.37 -0.03 1.33 5.85 -1.08 -1.80 115.31 120.74 2pu8 h LEU 390 Ca 0.13 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2pu8 h LEU 390 Cb 0.63 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2pu8 h LEU 390 CO 0.04 0.42 -0.17 0.15 -0.34 0.00 0.00 178.44 178.54 2pu8 h PHE 391 N 0.29 -0.44 -0.72 1.25 3.04 -0.97 -1.75 116.94 117.63 2pu8 h PHE 391 Ca 0.09 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.17 2pu8 h PHE 391 Cb 0.16 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 38.80 2pu8 h PHE 391 CO -0.01 -0.25 0.34 0.87 -2.02 0.00 0.00 178.31 177.24 2pu8 h LYS 392 N -0.26 0.53 0.10 1.11 1.57 -0.98 -2.03 116.57 116.62 2pu8 h LYS 392 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pu8 h LYS 392 Cb 0.35 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2pu8 h LYS 392 CO -0.19 0.35 -0.07 1.25 -0.57 0.00 0.00 179.45 180.22 2pu8 h LEU 393 N 0.55 -0.18 -1.55 2.94 5.85 -0.99 -2.67 115.31 119.26 2pu8 h LEU 393 Ca 0.37 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 2pu8 h LEU 393 Cb 0.45 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2pu8 h LEU 393 CO -0.31 -0.12 0.08 -0.07 -0.34 0.00 0.00 178.44 177.69 2pu8 h LEU 394 N -0.17 0.34 -2.35 2.25 4.07 -0.89 -3.11 115.31 115.45 2pu8 h LEU 394 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2pu8 h LEU 394 Cb 0.15 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2pu8 h LEU 394 CO -0.00 0.34 0.00 1.33 -1.08 0.00 0.00 178.44 179.03 2pu8 n VAL 395 N -4.40 0.57 0.00 1.22 0.24 -0.80 -5.06 118.33 110.10 2pu8 n VAL 395 Ca 0.01 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2pu8 n VAL 395 Cb 0.15 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 2pu8 n VAL 395 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98