NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5818 8.4444 117.3871 54.2595 29.3300 171.6082 *3 D 4.1607 8.5329 116.1350 56.2412 41.8856 175.9179 4 F 4.4672 8.1833 123.3594 57.2397 39.7580 177.1936 5 D 4.2821 8.0705 124.4462 57.0617 40.6825 178.7888 6 F 4.2374 8.1005 113.0573 59.2956 37.4970 176.2486 7 L 3.6922 6.8326 121.1878 56.2259 41.2653 176.7206 8 E 4.0362 7.9771 120.6218 57.2211 29.7609 178.0012 9 G 3.9904 8.8046 112.9003 44.9977 0.0000 173.9576 10 K 4.1630 7.3885 119.3502 56.8365 32.9437 176.3886 11 R 5.2337 8.5691 122.1490 54.4805 34.2990 174.4757 12 L 4.8266 9.0681 123.0873 53.8856 45.8547 174.8818 13 T 5.2383 8.6573 121.8446 61.9314 71.4926 173.4018 14 E 4.6972 9.1509 124.3751 54.8454 34.2558 174.2086 15 D 5.1063 8.8588 124.4780 53.7654 41.7859 175.7947 16 V 4.4665 8.6287 124.2687 60.7334 34.2146 174.5183 17 A 4.5127 8.5676 129.4382 51.8047 18.8366 176.8919 18 L 4.4572 9.1119 124.2669 53.8942 42.6379 175.9582 19 D 5.0963 8.4639 126.4115 51.8186 41.7266 176.9689 20 E 4.1604 8.8477 113.9287 59.0522 29.7385 175.9068 21 T 4.1632 7.3453 108.3965 61.4224 67.8904 174.6999 *23 V 4.0020 7.6079 119.9704 62.1705 32.5258 174.7197 24 W 4.5358 9.7879 133.9147 57.4619 29.2076 175.2710 25 N 4.7403 8.4463 122.3979 52.3546 37.4807 176.1985 26 E 3.9311 7.6875 120.5150 58.8155 29.6837 176.2534 27 D 4.6011 6.2230 115.2207 52.0118 42.2638 175.2099 28 I 3.7178 8.4673 127.8820 64.8722 37.0897 179.3262 29 E 3.8996 7.4626 117.5968 56.7250 29.5487 178.5402 *31 L 4.2617 8.0756 121.0067 54.7472 43.5323 178.6836 32 D 4.5916 7.9573 115.7523 54.9728 39.8663 177.3281 33 L 3.9671 8.0964 119.4109 56.3161 42.4834 176.5122 34 H 4.1260 8.1461 115.0266 56.0384 27.9107 174.5043 35 L 4.7141 7.6185 120.1849 55.5592 43.2704 178.4647 36 V 4.2216 8.7468 123.3337 61.5843 32.2980 176.0389 37 A 4.2907 8.6906 125.7862 52.1064 19.5765 178.5202 38 T 3.7178 8.7119 117.5563 66.7996 68.5963 177.2112 39 S 4.0393 8.1364 115.4029 61.5457 62.8295 176.2280 40 A 3.9427 7.9142 123.7521 54.8345 18.2225 179.4593 41 L 3.8825 7.8159 117.3713 57.8109 41.5818 179.5786 42 I 3.5410 7.8911 120.1114 64.4634 37.0521 178.6313 43 G 3.5015 8.2084 106.6058 47.5919 0.0000 175.9063 44 V 3.5133 7.6788 120.4489 65.8115 31.6395 178.2505 45 V 3.5395 8.0404 118.3030 66.2888 31.3736 177.4646 46 H 3.7624 8.0272 116.1682 58.8641 28.4512 177.6420 47 R 3.8994 7.9597 119.6590 59.5500 30.0014 179.1093 48 V 3.6151 7.5914 117.4974 66.1554 31.4591 178.1687 49 S 3.9844 7.9375 113.4737 61.4841 62.5961 175.9398 50 Y 3.9182 7.9011 123.0968 60.1902 38.3016 177.1412 51 E 3.9337 8.3361 119.7481 59.1994 30.1082 178.2449 52 L 4.1713 8.0100 120.1936 58.3288 42.1271 179.0486 53 L 4.2593 8.0830 119.1560 57.6912 41.3272 179.2696 54 S 3.8837 7.7381 113.7577 61.8637 62.6111 176.7610 55 R 3.8334 7.3699 118.9232 58.1722 29.7509 176.9407 56 Y 4.8215 7.8711 113.8564 57.7567 40.1105 176.2048 57 L 4.4164 7.8244 118.9931 53.5527 42.7437 174.7991 58 P 4.6336 0.0000 0.0000 62.5247 31.9481 177.5216 59 N 4.5778 8.6963 116.9032 55.7628 38.7549 176.2275 60 D 4.5920 8.2698 116.6201 54.3343 40.3474 175.2126 61 Y 4.9817 7.6788 117.6043 57.0185 40.1431 174.4948 62 T 5.0081 9.2271 116.0085 60.5784 72.1201 171.9983 63 A 5.2418 8.8109 123.6141 50.3678 21.6524 175.9590 64 V 4.4969 8.6393 115.6429 59.4185 35.3834 175.0615 65 V 4.4772 8.2540 122.8480 62.6896 31.6267 175.9662 66 V 4.3898 8.5875 120.2907 61.7293 33.7021 175.7507 67 E 4.7884 7.9589 120.5971 55.3140 32.9656 173.6145 68 T 5.3076 8.4301 120.1290 60.7551 71.0247 172.3146 69 L 4.9594 9.7278 129.1501 53.3699 45.4902 174.9210 70 A 5.2310 8.6696 126.1863 50.3194 22.8646 175.1350 71 R 4.4456 8.9236 119.4336 54.7492 33.0780 174.6651 72 H 4.6668 8.9547 125.1202 55.2252 29.4061 174.2976 73 V 4.2215 8.6413 119.1992 61.5000 32.8511 176.6397 74 K 4.4636 7.8255 120.0300 54.2368 35.1622 175.1748 75 A 4.2691 8.4369 128.9412 51.7578 19.5418 176.9578 76 V 4.6858 7.9681 120.6150 59.0204 34.9585 173.2591 77 P 4.9883 0.0000 0.0000 62.8134 32.1088 176.0755 78 T 4.0125 9.0114 112.8966 62.3794 69.7844 174.4707 79 G 3.8554 10.1435 109.5223 45.8240 0.0000 172.5320 80 T 4.7490 7.5338 113.3249 59.9555 71.4714 171.9924 81 R 5.2068 8.5011 122.7029 54.6045 32.8646 175.0424 82 V 4.6301 8.5009 115.8882 59.4378 36.5029 174.5832 83 A 4.6518 8.5738 125.5004 51.4546 19.9096 176.4258 84 V 4.5098 8.8244 123.9195 61.5954 33.6704 174.6664 85 G 4.5399 9.0667 115.8491 44.5573 0.0000 172.0061 86 V 5.4677 9.0793 116.6629 59.6389 36.3455 174.7742 87 R 5.1384 8.8859 118.3380 54.8544 33.4961 174.1597 88 V 3.7242 8.6935 121.7444 62.6758 32.0012 176.5565 89 V 4.1174 8.0132 121.1661 61.0488 32.7001 176.3012 90 G 3.9975 6.9921 105.4287 44.5934 0.0000 172.7288 91 V 4.8941 8.4575 121.3798 60.8408 34.9225 175.1033 92 V 4.2208 8.5561 126.9007 61.8347 34.3492 175.5060 93 G 3.8206 8.3176 119.3036 47.2209 0.0000 173.0272 94 N 4.7395 8.8631 122.9566 52.2847 37.6347 173.6299 95 R 4.7556 8.0388 119.8157 55.4112 31.9088 175.4345 96 V 4.4251 8.8738 124.5899 60.8460 34.2267 173.9950 97 K 4.6258 8.8160 130.6809 55.3846 33.6928 175.2498 98 F 5.0336 8.8808 125.9885 55.6489 42.3459 174.5273 99 R 5.0027 8.5361 121.2122 54.9384 32.4020 175.7418 100 G 4.7652 9.3875 109.0450 44.9594 0.0000 171.2069 101 I 5.1351 8.7446 120.8385 59.4654 41.9690 173.8628 102 V 5.0420 8.6813 127.9104 60.1625 35.7356 174.5683 *104 S 4.3658 8.5080 116.8990 58.6564 63.0330 174.8059 105 G 3.8959 8.0877 120.3912 46.8553 0.0000 172.3512 106 D 4.7152 8.8950 123.9508 53.6908 41.0126 175.4296 107 E 4.2843 7.8107 120.2753 54.9264 30.3071 175.9911 108 K 4.1714 8.5383 125.4030 56.2980 32.7408 176.1523 109 I 4.1501 8.8547 128.5235 63.6557 38.5284 176.0230 110 L 5.1436 7.6212 122.1886 53.6621 45.5935 173.7346 111 E 5.2733 9.0711 123.2326 54.5682 32.7993 174.6340 112 A 5.3467 9.3560 123.0141 50.3907 23.4823 174.4446 113 E 5.2347 9.5322 120.4006 54.6396 33.2968 174.3627 114 F 5.3920 8.6844 119.9260 56.0956 42.0111 172.8907 115 V 5.0373 9.5089 120.4666 61.3107 34.6145 174.3374 116 R 5.3127 9.2422 126.0398 54.4427 33.4081 174.5248 117 A 5.0824 8.9184 125.2740 50.6217 21.0991 176.0291 118 I 4.6316 8.3041 124.4489 60.6448 38.1025 176.0824 119 V 4.8108 9.1377 120.3696 58.5546 36.4735 173.5151 120 P 4.1236 0.0000 0.0000 62.4176 32.0792 177.4462 121 R 3.9291 8.8522 121.8820 59.5429 29.9385 179.2282 122 E 3.9647 8.0261 116.8178 59.1140 29.5296 178.8981 123 K 3.8425 7.9314 120.1011 59.3485 32.2925 178.3539 124 L 3.9526 7.7413 119.9943 57.9014 41.6762 179.0120 125 R 3.8185 7.7385 118.0090 59.5845 30.2353 178.2612 126 R 4.0605 8.1205 116.8595 59.5202 30.2333 178.5378 127 L 4.0812 8.3655 118.7795 57.6461 41.4630 179.1171 128 A 4.8732 7.9454 121.7579 52.9495 19.9854 177.7630 129 L 4.7856 7.6956 121.5358 56.1678 42.6012 179.7551 130 E 4.3355 8.3974 121.4596 56.7288 29.8585 178.3275 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 *0 H 8.44 4.58 0.00 2.95 2.90 0.00 7.20 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 D 8.53 4.16 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.18 4.47 0.00 2.95 2.61 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 0.00 0.00 0.00 0.00 5 D 8.07 4.28 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 6 F 8.10 4.24 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 6.83 3.69 0.00 1.42 1.42 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.98 4.04 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 9 G 8.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.16 0.00 1.68 1.79 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.24 7.81 11 R 8.57 5.23 0.00 1.68 1.93 0.00 3.18 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 12 L 9.07 4.83 0.00 1.79 1.52 0.96 0.95 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 13 T 8.66 5.24 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 E 9.15 4.70 0.00 1.96 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 2.22 2.15 0.00 15 D 8.86 5.11 0.00 2.57 2.63 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 16 V 8.63 4.47 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 0.94 0.00 0.00 0.98 0.00 0.00 17 A 8.57 4.51 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.11 4.46 0.00 1.70 1.66 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.46 5.10 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 20 E 8.85 4.16 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 21 T 7.35 4.16 4.24 0.00 0.00 0.00 0.00 0.00 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 *23 V 7.61 4.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 24 W 9.79 4.54 0.00 3.08 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.45 4.74 0.00 2.73 2.86 0.00 0.00 6.21 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.69 3.93 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 27 D 6.22 4.60 0.00 2.37 1.75 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 28 I 8.47 3.72 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.85 0.00 0.00 29 E 7.46 3.90 0.00 2.13 1.97 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 2.33 2.27 0.00 *31 L 8.08 4.26 0.00 1.78 1.70 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.96 4.59 0.00 2.80 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 33 L 8.10 3.97 0.00 1.76 1.82 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.15 4.13 0.00 3.49 3.61 0.00 5.46 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.62 4.71 0.00 1.94 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.75 4.22 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 0.73 0.00 0.00 0.95 0.00 0.00 37 A 8.69 4.29 1.38 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 0.00 0.00 38 T 8.71 3.72 4.22 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 0.00 0.00 1.18 0.00 0.00 39 S 8.14 4.04 0.00 4.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.91 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.82 3.88 0.00 1.78 1.62 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.89 3.54 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.58 0.00 0.00 43 G 8.21 3.50 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 0.00 0.00 0.00 44 V 7.68 3.51 2.18 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 0.96 0.00 0.00 0.92 0.00 0.00 45 V 8.04 3.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 46 H 8.03 3.76 0.00 3.15 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.96 3.90 0.00 2.07 1.99 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 48 V 7.59 3.62 2.24 0.00 0.00 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 0.94 0.00 0.00 49 S 7.94 3.98 0.00 2.73 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.90 3.92 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 51 E 8.34 3.93 0.00 2.04 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 0.00 2.35 2.38 0.00 52 L 8.01 4.17 0.00 1.87 1.97 1.08 0.72 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 53 L 8.08 4.26 0.00 1.57 1.62 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.74 3.88 0.00 3.85 3.70 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 55 R 7.37 3.83 0.00 1.46 1.36 0.00 3.04 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 56 Y 7.87 4.82 0.00 3.12 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.82 4.42 0.00 1.70 1.73 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.63 0.00 2.70 2.14 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 59 N 8.70 4.58 0.00 2.77 2.93 0.00 0.00 6.93 8.06 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 60 D 8.27 4.59 0.00 2.74 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.68 4.98 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.23 5.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 63 A 8.81 5.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.64 4.50 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 65 V 8.25 4.48 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.66 0.00 0.00 66 V 8.59 4.39 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 67 E 7.96 4.79 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 68 T 8.43 5.31 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 69 L 9.73 4.96 0.00 1.76 1.69 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.67 5.23 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.92 4.45 0.00 1.75 1.83 0.00 3.12 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 72 H 8.95 4.67 0.00 3.08 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.64 4.22 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 0.69 0.00 0.00 1.02 0.00 0.00 74 K 7.83 4.46 0.00 1.79 1.61 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.46 7.81 75 A 8.44 4.27 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.97 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 77 P 0.00 4.99 0.00 2.06 2.08 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 78 T 9.01 4.01 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 79 G 10.14 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.53 4.75 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 1.23 0.00 0.00 81 R 8.50 5.21 0.00 1.83 1.76 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 82 V 8.50 4.63 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 0.66 0.00 0.00 0.99 0.00 0.00 83 A 8.57 4.65 1.26 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 84 V 8.82 4.51 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 1.04 0.00 0.00 0.93 0.00 0.00 85 G 9.07 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 9.08 5.47 2.26 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 0.92 0.00 0.00 1.04 0.00 0.00 87 R 8.89 5.14 0.00 1.95 2.00 0.00 2.75 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 88 V 8.69 3.72 1.97 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 0.66 0.00 0.00 0.56 0.00 0.00 89 V 8.01 4.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.85 0.00 0.00 90 G 6.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.46 4.89 1.97 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 0.89 0.00 0.00 0.71 0.00 0.00 92 V 8.56 4.22 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 0.90 0.00 0.00 93 G 8.32 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.86 4.74 0.00 2.97 3.19 0.00 0.00 5.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.04 4.76 0.00 1.89 1.87 0.00 3.23 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 96 V 8.87 4.43 2.03 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 0.39 0.00 0.00 0.74 0.00 0.00 97 K 8.82 4.63 0.00 1.70 1.55 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.33 7.81 98 F 8.88 5.03 0.00 1.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.54 5.00 0.00 1.76 1.84 0.00 3.04 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 100 G 9.39 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.74 5.14 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.50 0.94 0.00 0.00 102 V 8.68 5.04 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 1.24 0.00 0.00 0.91 0.00 0.00 *104 S 8.51 4.37 0.00 3.93 3.81 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 0.00 105 G 8.09 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.89 4.72 0.00 2.67 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 0.00 107 E 7.81 4.28 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 108 K 8.54 4.17 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 109 I 8.85 4.15 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 1.00 0.00 0.00 110 L 7.62 5.14 0.00 1.55 1.37 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.07 5.27 0.00 2.09 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 0.00 2.18 2.24 0.00 112 A 9.36 5.35 1.37 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 0.00 0.00 0.00 113 E 9.53 5.23 0.00 2.00 1.80 0.00 0.00 0.00 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 2.21 0.00 114 F 8.68 5.39 0.00 3.30 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.51 5.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 116 R 9.24 5.31 0.00 2.06 1.91 0.00 3.28 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 117 A 8.92 5.08 1.25 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 0.00 0.00 0.00 118 I 8.30 4.63 1.25 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.33 0.64 0.00 0.00 119 V 9.14 4.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 120 P 0.00 4.12 0.00 1.97 1.56 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 121 R 8.85 3.93 0.00 1.82 2.03 0.00 3.15 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 122 E 8.03 3.96 0.00 2.16 2.18 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 2.30 2.29 0.00 123 K 7.93 3.84 0.00 1.85 2.03 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.56 7.81 124 L 7.74 3.95 0.00 1.80 1.79 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.74 3.82 0.00 1.98 2.08 0.00 3.32 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 126 R 8.12 4.06 0.00 1.97 1.99 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 127 L 8.37 4.08 0.00 1.83 1.68 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.95 4.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.70 4.79 0.00 1.58 1.46 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.40 4.34 0.00 1.97 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 0.00 2.17 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.