NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2529 8.1849 120.6341 54.8930 44.2130 176.4721 7 Y 3.9865 7.9537 118.1701 55.8523 39.1012 173.0397 8 K 4.5878 9.0074 122.1392 55.0693 36.6204 174.6590 9 S 5.1837 8.4842 117.5356 57.1539 65.2069 173.7119 10 N 4.7504 9.0778 124.7485 52.0136 40.8369 173.0159 11 H 4.0258 8.3147 118.3710 57.4387 28.6989 176.0167 12 N 4.4116 8.6087 121.7267 53.2390 37.1771 174.5727 13 V 4.2039 7.5259 118.9774 61.1881 32.5810 174.2246 14 V 4.6989 8.4586 127.8670 61.6977 32.5771 174.2162 15 Y 5.0008 8.7330 125.4603 55.9378 42.1349 174.8401 16 S 4.2618 8.6743 114.7387 57.4147 63.8852 171.3490 17 C 4.6854 8.6932 119.9478 57.3851 30.9647 172.9308 18 K 5.1080 8.1349 122.7768 54.6527 35.6285 174.9918 19 Y 5.1341 9.1663 121.3976 56.5261 42.4938 174.4207 20 H 5.3091 9.5506 119.8288 54.6189 30.8057 173.5863 21 I 5.1435 9.1823 125.3330 59.4955 40.0333 175.3219 22 V 5.0542 9.0872 125.6130 60.1248 35.2053 173.8872 23 W 5.6031 8.1397 122.8810 55.3396 31.3438 173.2253 24 C 5.6078 8.8644 118.3811 57.1919 31.8325 171.7425 25 P 5.1359 0.0000 0.0000 62.2163 32.8768 175.4449 26 K 3.9662 8.6095 121.3189 57.8444 32.4014 176.4617 27 Y 3.6475 8.8475 120.4383 58.2945 35.5570 170.1053 28 R 3.9088 8.0897 115.9204 56.8454 28.3075 176.2544 29 R 3.9276 7.8913 118.3691 56.6648 30.6568 178.1360 30 K 5.0333 8.4088 127.7029 55.9778 30.2936 177.6100 31 V 4.0183 7.3197 110.1337 62.0014 33.1759 177.8568 32 L 4.3683 7.5090 121.7846 53.2423 40.1329 175.5295 33 V 4.5293 6.7725 113.8789 59.9963 37.6091 179.3219 34 G 3.7914 8.2431 111.0309 46.9688 0.0000 177.2224 35 A 4.0380 8.6163 128.5390 54.5796 18.7864 180.6055 36 V 2.9082 7.3922 115.5048 65.9581 31.6137 178.1825 37 E 3.9746 7.9940 116.8934 59.3864 29.2964 178.5878 38 M 4.0188 7.7695 119.2273 58.7678 32.4152 178.5368 39 R 4.2075 8.4126 118.5122 58.8968 30.1899 178.6599 40 L 4.1087 8.3587 120.6658 58.4607 42.1484 179.3160 41 K 4.0621 8.0583 117.9120 59.3675 31.9200 179.2044 42 E 3.9640 7.9533 119.0258 59.5796 29.4330 179.2670 43 I 3.7898 7.9441 119.6096 64.7017 37.2489 178.6127 44 I 3.8975 7.9470 120.4880 64.5038 36.8932 178.5278 45 Q 4.0855 8.2372 118.9831 58.8496 28.5394 178.4147 46 E 3.9394 8.3726 120.3146 59.3076 29.6614 178.9621 47 V 3.6513 8.3139 118.4223 66.0181 31.6053 177.7008 48 A 3.9585 8.6642 120.7883 55.2060 18.2397 179.7452 49 K 3.9030 8.2289 116.9100 59.7948 31.9424 179.5486 50 E 4.1030 8.2860 117.4822 58.3213 29.3039 178.3878 51 L 4.4285 7.6812 117.0696 53.2252 42.4846 176.2497 52 R 3.6819 7.4121 115.4056 57.0755 28.3425 176.1151 53 V 3.9975 7.7938 116.4838 61.5650 33.1925 174.9783 54 E 4.3381 8.5673 128.8924 54.7779 30.5622 175.0970 55 I 3.9600 8.2157 129.2241 61.4040 37.0399 175.6517 56 I 4.0838 8.7699 129.7395 61.6908 36.9992 175.3299 57 E 4.6665 7.5489 122.0214 54.9900 33.0952 174.6773 58 M 5.5738 8.5934 122.7579 56.1770 33.9726 173.0750 59 Q 4.7927 8.4512 124.0108 54.4701 31.9876 174.6134 60 T 4.8364 8.3785 116.9403 62.0476 71.3704 173.2235 61 D 4.7997 8.4343 122.1895 52.2842 44.9682 176.7380 62 K 4.0535 8.3575 123.5570 59.4534 32.1089 178.4351 63 D 4.7938 7.5627 115.4918 52.4050 39.7959 175.4107 64 H 4.6442 7.6182 112.9453 55.7755 31.4182 172.6501 65 I 4.5553 7.4293 121.5044 59.4851 41.0160 173.6533 66 H 5.1177 8.5786 126.0364 54.4766 32.8180 172.1253 67 I 5.0654 9.0011 126.3956 59.3505 41.2607 174.3513 68 L 5.2272 9.2800 127.7421 53.4168 44.5020 174.9668 69 A 5.2447 9.0312 127.4306 50.2147 23.4903 173.6034 70 D 5.3347 8.7832 119.2082 52.7826 43.1537 175.3786 71 I 4.9710 8.5774 126.3178 59.0788 40.9171 174.9500 72 D 3.4467 8.9048 126.4562 53.5056 41.2817 175.1306 73 P 4.4788 0.0000 0.0000 65.7463 31.1921 177.6141 74 S 4.2667 7.7505 113.7146 60.6169 63.1908 175.5621 75 F 4.3394 8.4123 122.9251 61.5350 39.5301 175.8427 76 G 3.8916 8.2249 108.6127 45.0499 0.0000 174.5020 77 V 3.5230 8.4183 123.3973 66.3498 31.6456 178.2252 78 M 3.8745 7.8424 117.6932 57.9659 31.6924 178.6511 79 K 3.7463 7.6309 119.6266 59.1407 32.3427 178.4577 80 F 4.4321 7.7173 119.4835 61.5346 39.3120 176.9672 81 I 3.0719 7.7021 119.5111 64.0196 36.7628 178.1989 82 K 3.6436 7.8607 120.1962 59.8781 31.9470 178.9780 83 T 3.8008 7.7218 115.5395 66.6932 68.3357 176.2090 84 A 3.9194 7.9936 123.0749 54.9204 18.3199 179.5534 85 K 2.9717 7.5449 116.0366 59.1685 32.1340 179.8564 86 G 3.6325 7.9889 105.8825 47.8898 0.0000 175.7188 87 R 3.9281 8.3360 121.9128 58.9627 30.1848 178.3667 88 S 4.2972 8.1418 114.4534 61.7464 62.7900 176.3005 89 S 4.0538 8.5835 118.6630 61.0336 62.2648 176.4040 90 R 3.9500 7.5944 120.8641 58.8170 30.1536 178.1406 91 I 3.8530 8.0721 119.6123 64.4084 37.1106 178.1097 92 L 4.1616 8.4114 120.0179 58.2746 41.4548 179.8643 93 R 4.0300 7.7905 115.0302 58.3016 30.0125 178.0551 94 Q 4.2799 7.9260 117.3811 57.3310 29.3612 177.3042 95 E 4.1835 7.7257 118.3045 57.7266 30.7854 178.0117 96 F 4.6135 7.7809 124.8121 55.7754 38.7107 175.6425 97 N 4.2613 8.6954 123.0153 57.0823 38.7712 175.7387 98 H 4.6523 8.3055 117.0435 58.1587 27.9531 177.4016 99 L 4.0888 7.7621 121.7292 57.1347 41.0959 179.1611 100 K 3.8578 7.7589 119.1438 59.2407 32.7779 178.6055 101 T 4.0750 7.7632 109.6715 64.3738 68.8108 176.1452 102 K 4.1909 8.5015 121.1460 56.6404 32.7819 176.4809 103 L 5.0007 6.8539 117.5310 52.2016 45.3751 174.9156 104 P 4.4503 0.0000 0.0000 65.4613 31.8112 176.4648 105 T 4.6000 7.1386 106.0829 59.8164 71.7449 173.3598 106 L 3.6491 8.2917 124.4776 56.7450 42.2802 176.3547 107 W 5.3071 7.4898 115.6848 54.9501 32.6820 173.9099 108 T 4.5163 7.7725 107.3476 60.3912 70.0634 173.5281 109 N 4.7891 8.3462 116.2592 53.1964 37.8847 174.7351 110 S 4.7558 7.4051 111.0494 57.9558 65.7197 172.0090 111 C 4.9785 8.2233 117.5093 57.5541 32.4567 172.4088 112 F 5.0198 9.5221 122.7712 56.5766 41.2316 174.1368 113 I 4.7059 7.9367 126.1978 59.4178 39.9958 174.7540 114 S 4.5898 8.5456 121.9096 56.2922 65.2925 173.0816 115 T 4.5781 8.6745 118.0517 61.5100 69.5884 174.2572 116 V 4.4702 9.4998 124.1781 58.9439 34.2053 174.7169 117 G 4.2590 8.1418 114.8627 44.5689 0.0000 171.9092 118 G 3.9661 7.8989 110.8533 42.7078 0.0000 172.4830 119 A 3.9106 8.6400 125.5980 51.7843 18.5841 176.7927 120 P 4.5961 0.0000 0.0000 61.9284 30.2198 175.7282 121 L 4.1791 7.3360 123.9056 56.9537 42.1138 176.5352 122 N 4.5391 8.8326 119.4660 54.1247 38.7949 175.6776 123 V 4.5231 7.1742 116.6373 63.6305 32.3694 177.7830 124 V 3.5406 7.5143 117.7615 65.9154 31.4383 177.9958 125 K 4.0301 7.9906 118.0254 59.4840 31.8516 179.2314 126 Q 3.9521 7.6288 118.1515 59.0976 28.4381 178.0120 127 Y 3.9985 7.9379 121.5190 60.6104 38.8988 177.7794 128 I 3.4367 7.8267 120.5960 64.6509 37.3960 178.3982 129 E 3.9876 8.3507 118.8182 58.6693 29.0258 177.9369 130 N 4.6686 7.5958 115.0897 54.3373 39.1671 175.4704 131 Q 4.0771 7.5887 117.5919 55.7633 29.0072 175.3652 132 Q 3.7344 7.4223 125.9302 56.5982 30.6912 172.9852 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 L 8.18 4.25 0.00 1.90 1.67 1.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.95 3.99 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.01 4.59 0.00 1.53 1.65 0.00 1.06 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.79 0.21 7.81 9 S 8.48 5.18 0.00 3.76 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 9.08 4.75 0.00 2.96 2.94 0.00 0.00 7.19 8.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.31 4.03 0.00 3.27 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.61 4.41 0.00 2.93 3.01 0.00 0.00 7.02 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.53 4.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.06 0.00 0.00 14 V 8.46 4.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.14 0.00 0.00 15 Y 8.73 5.00 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.67 4.26 0.00 2.73 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.69 4.69 0.00 3.14 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.13 5.11 0.00 1.66 1.53 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.28 7.81 19 Y 9.17 5.13 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.55 5.31 0.00 3.22 3.35 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.18 5.14 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 1.14 0.00 0.00 22 V 9.09 5.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.77 0.00 0.00 23 W 8.14 5.60 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.86 5.61 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 5.14 0.00 2.04 2.02 0.00 4.12 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 26 K 8.61 3.97 0.00 1.58 1.39 0.00 1.50 0.00 0.00 1.22 0.00 0.00 2.67 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.76 7.81 27 Y 8.85 3.65 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.09 3.91 0.00 2.06 2.06 0.00 3.21 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 29 R 7.89 3.93 0.00 2.01 1.88 0.00 3.34 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 30 K 8.41 5.03 0.00 1.79 1.79 0.00 1.85 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 31 V 7.32 4.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.87 0.00 0.00 32 L 7.51 4.37 0.00 1.94 1.68 1.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.77 4.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 34 G 8.24 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.62 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.39 2.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 -0.24 0.00 0.00 37 E 7.99 3.97 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 38 M 7.77 4.02 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 39 R 8.41 4.21 0.00 2.24 2.17 0.00 3.66 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 40 L 8.36 4.11 0.00 2.03 1.94 1.37 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.06 4.06 0.00 1.92 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.62 7.81 42 E 7.95 3.96 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 43 I 7.94 3.79 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 1.01 0.00 0.00 44 I 7.95 3.90 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.86 1.15 0.00 0.00 45 Q 8.24 4.09 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 46 E 8.37 3.94 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 47 V 8.31 3.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.07 0.00 0.00 48 A 8.66 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.23 3.90 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 50 E 8.29 4.10 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 51 L 7.68 4.43 0.00 1.60 1.53 1.31 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.41 3.68 0.00 1.69 1.87 0.00 2.99 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 53 V 7.79 4.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.59 0.00 0.00 54 E 8.57 4.34 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 55 I 8.22 3.96 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.94 0.00 0.00 56 I 8.77 4.08 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.89 0.00 0.00 57 E 7.55 4.67 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 58 M 8.59 5.57 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 59 Q 8.45 4.79 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 60 T 8.38 4.84 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 61 D 8.43 4.80 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.36 4.05 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.48 7.81 63 D 7.56 4.79 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.62 4.64 0.00 3.37 3.40 0.00 5.22 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.43 4.56 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.21 -0.56 0.00 0.00 66 H 8.58 5.12 0.00 3.22 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 9.00 5.07 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 1.10 0.00 0.00 68 L 9.28 5.23 0.00 1.68 1.70 0.64 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.03 5.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.78 5.33 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.58 4.97 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.86 1.06 0.00 0.00 72 D 8.90 3.45 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.48 0.00 2.16 2.16 0.00 2.39 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 74 S 7.75 4.27 0.00 4.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.41 4.34 0.00 2.83 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.42 3.52 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.21 0.00 0.00 78 M 7.84 3.87 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 79 K 7.63 3.75 0.00 1.30 1.12 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.25 7.81 80 F 7.72 4.43 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.70 3.07 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.48 0.00 0.00 82 K 7.86 3.64 0.00 1.71 1.91 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.38 7.81 83 T 7.72 3.80 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 84 A 7.99 3.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.54 2.97 0.00 1.22 1.30 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 7.99 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.34 3.93 0.00 1.95 2.02 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 88 S 8.14 4.30 0.00 4.55 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.58 4.05 0.00 4.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.59 3.95 0.00 1.96 2.14 0.00 3.45 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 91 I 8.07 3.85 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.55 1.00 0.00 0.00 92 L 8.41 4.16 0.00 1.78 1.90 1.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.79 4.03 0.00 1.88 1.97 0.00 3.04 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 94 Q 7.93 4.28 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 95 E 7.73 4.18 0.00 1.52 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 96 F 7.78 4.61 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.70 4.26 0.00 2.76 2.88 0.00 0.00 6.84 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.31 4.65 0.00 3.41 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.76 4.09 0.00 1.84 1.65 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.76 3.86 0.00 1.75 1.97 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 T 7.76 4.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 102 K 8.50 4.19 0.00 1.83 1.97 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 103 L 6.85 5.00 0.00 1.62 1.60 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.45 0.00 2.16 2.21 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 105 T 7.14 4.60 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 106 L 8.29 3.65 0.00 1.29 0.60 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.49 5.31 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.77 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 109 N 8.35 4.79 0.00 2.81 2.91 0.00 0.00 5.67 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.41 4.76 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.22 4.98 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.52 5.02 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.94 4.71 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.85 0.00 0.00 114 S 8.55 4.59 0.00 3.26 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.67 4.58 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 116 V 9.50 4.47 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.96 0.00 0.00 117 G 8.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.64 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.60 0.00 2.25 2.40 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 121 L 7.34 4.18 0.00 1.61 1.61 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.83 4.54 0.00 3.02 2.94 0.00 0.00 6.44 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.17 4.52 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.78 0.00 0.00 124 V 7.51 3.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 125 K 7.99 4.03 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.49 7.81 126 Q 7.63 3.95 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 127 Y 7.94 4.00 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.83 3.44 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.89 0.00 0.00 129 E 8.35 3.99 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 130 N 7.60 4.67 0.00 2.93 2.72 0.00 0.00 7.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.59 4.08 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 5.89 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 132 Q 7.42 3.73 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00