NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1836 8.1727 122.0536 56.3096 34.1523 174.1180 2 V 4.5305 8.1533 126.8928 60.6290 32.2139 174.5552 3 F 4.2288 9.8884 128.7244 57.7367 40.2292 174.8228 4 E 4.3200 8.7810 120.3816 55.3902 31.2660 176.7954 5 R 3.3763 8.9123 120.0901 60.6360 29.8395 179.3045 6 C 4.2550 8.0409 115.2086 59.8919 37.5078 175.7705 7 E 3.8934 8.0869 120.5620 59.2294 29.2982 178.5254 8 L 3.7395 7.9625 120.0519 57.6427 42.0574 178.4460 9 A 3.9405 7.9476 120.9926 55.5052 18.3898 179.8936 10 R 3.8819 8.3282 116.6765 59.6139 30.1521 179.4843 11 T 3.8559 7.8874 115.5333 66.6784 68.4865 176.7018 12 L 3.8657 8.2123 121.2876 57.4007 41.5792 179.4085 13 K 3.8343 7.9478 119.5953 59.7067 31.9709 178.7142 14 R 3.9160 7.6160 117.1431 59.3121 30.0056 177.5181 15 L 4.3042 7.5160 115.7920 54.3749 41.7509 177.0957 16 G 3.8598 7.8867 107.0289 46.8507 0.0000 175.0647 17 M 3.9528 7.8178 121.3071 56.4972 32.3556 175.7361 18 D 4.4312 8.0402 117.9085 56.0301 41.2548 175.9335 19 G 3.9358 9.3153 115.6058 45.3035 0.0000 171.4274 20 Y 4.2009 8.2277 121.6934 59.0954 38.8322 176.3840 21 R 3.6405 9.1575 125.3286 57.0348 27.8888 177.0603 22 G 3.8038 8.3699 103.5142 45.4249 0.0000 173.9248 23 I 4.1238 7.7423 121.9627 58.8525 38.1246 175.8142 24 S 4.7626 8.3402 120.4734 57.8216 63.9328 174.8177 25 L 4.1814 9.2488 124.0602 58.8151 41.7550 179.5065 26 A 4.1665 8.1527 119.8648 55.3012 18.3064 179.2637 27 N 4.4545 8.1672 115.0168 56.3549 38.6796 177.7532 28 W 4.2192 8.0007 119.8731 59.8421 29.0425 178.4250 29 M 4.1953 8.4485 118.9448 58.5062 31.4695 177.7479 30 C 3.1277 8.0432 118.5992 59.4068 40.0478 175.0440 31 L 3.9539 8.1530 121.4858 58.3587 41.5988 178.5847 32 A 4.2176 8.4359 120.3647 55.1768 18.3259 179.5026 33 K 2.8666 8.2342 118.0356 59.3679 32.0509 179.2178 34 W 4.3303 7.8220 117.3292 59.1376 28.9821 178.2599 35 E 4.3745 8.6192 118.7606 58.3215 29.4859 177.5337 36 S 4.5436 8.0060 110.1684 56.8945 64.1520 174.7299 37 G 3.5710 8.2393 108.6607 46.7672 0.0000 173.6652 38 Y 3.6382 7.6321 113.7880 58.4673 34.8933 168.4211 39 N 5.2497 7.8128 119.7618 52.3854 39.5165 176.0120 40 T 4.1483 8.9545 117.5328 63.7516 69.2087 175.9453 41 R 4.4423 8.0260 117.0406 55.7268 30.2560 176.3354 42 A 4.3424 7.6161 121.6052 52.8521 19.3314 176.9480 43 T 5.4184 8.2792 110.2731 59.2237 72.6686 173.0362 44 N 4.8780 8.2847 120.9993 52.4681 42.0676 172.2682 45 Y 4.7356 8.7725 127.9507 57.1633 40.8459 173.7985 46 N 4.6769 8.5076 124.6731 51.2559 38.9789 175.4868 47 A 3.6270 8.2635 127.9270 54.6194 19.0242 178.9386 48 G 3.8355 8.1339 104.4934 48.3007 0.0000 173.8565 49 D 4.7003 7.4879 114.8389 52.0442 40.1655 176.1570 50 R 4.0124 8.2129 116.4629 57.0394 28.2870 175.7274 51 S 4.9169 8.0149 113.4948 57.1380 66.2613 172.8937 52 T 5.0623 8.5664 115.7770 61.8770 72.5956 172.8868 53 D 5.4326 8.5744 124.7484 53.2696 43.0932 175.1599 54 Y 4.8697 9.0973 121.0128 57.4635 41.9633 177.2123 55 G 4.3741 8.9580 111.5588 46.1660 0.0000 173.1797 56 I 3.7178 7.1916 117.5627 63.0334 37.7873 177.7849 57 F 4.7446 7.9731 114.8998 56.5538 39.8487 175.4397 58 Q 3.5565 7.8776 119.0296 57.1194 26.4450 173.7614 59 I 4.3949 8.3534 119.2180 61.0189 39.3009 176.6711 60 N 5.3994 9.1981 126.2543 53.2932 39.9647 175.5726 61 S 4.6488 9.4240 120.4938 60.2843 63.2615 175.2894 62 R 3.7133 8.9423 122.8682 58.8372 30.4045 177.7232 63 Y 4.1952 7.5729 114.3640 58.0192 40.6805 177.2318 64 W 4.8631 7.9791 118.7969 57.7623 30.1539 173.7035 65 C 5.5506 7.9333 109.9589 53.4318 44.8696 172.3192 66 N 4.8362 8.9727 119.9862 52.3302 39.5073 174.9883 67 D 4.7639 8.7291 123.4319 52.5286 40.8202 177.0148 68 G 4.1838 8.9935 113.2249 45.8083 0.0000 174.9359 69 K 4.3319 8.2432 116.1011 56.5784 33.1697 176.2806 70 T 4.4087 7.5308 117.3900 61.8090 69.2699 173.0030 71 P 4.2425 0.0000 0.0000 63.5656 31.9555 176.9034 72 G 3.8738 8.7248 109.4423 46.3418 0.0000 173.2025 73 A 4.5000 7.1437 121.3518 50.8654 20.3224 177.3326 74 V 4.3369 8.4984 112.1971 59.3993 35.4603 176.2110 75 N 4.9335 8.1143 118.1466 51.5091 37.6960 174.1874 76 A 3.9475 8.9649 125.4179 55.1100 19.0435 178.4789 77 C 4.5324 8.5477 110.4839 57.0721 40.7604 173.0827 78 H 4.1156 7.7196 116.1797 56.8457 26.5007 174.3373 79 L 4.8704 8.2978 116.7730 52.8285 46.0623 176.5281 80 S 4.7054 8.3130 115.0746 57.8324 63.3877 175.9078 81 C 3.9121 8.5537 124.1724 59.9819 40.7776 176.4290 82 S 3.9113 7.7521 114.1949 61.3957 61.6438 176.0462 83 A 4.0791 7.9293 122.5276 54.5313 17.8126 177.9542 84 L 4.4372 7.8138 116.2710 55.0662 41.7563 177.6367 85 L 4.9851 7.8599 117.2803 54.5287 42.2877 176.7052 86 Q 4.3596 7.7481 117.9188 55.4192 29.4271 175.9898 87 D 4.4928 8.4896 118.9183 56.4844 41.2529 176.6009 88 N 4.7842 7.9973 117.6172 52.8311 40.0753 174.7948 89 I 4.8062 8.4049 118.8210 60.2008 38.4334 177.5957 90 A 3.9572 8.7103 125.7282 56.1520 18.1890 180.3279 91 D 4.3288 8.0169 116.8507 57.4909 40.8588 178.5109 92 D 4.4784 8.0672 119.0199 57.3505 40.8807 178.9212 93 V 3.4224 7.9130 118.4541 65.9971 31.1385 178.0744 94 A 3.8890 7.9573 120.4348 54.9543 18.0800 178.7951 95 C 4.2188 8.2935 117.1334 59.6317 37.9266 175.6190 96 A 3.8211 8.2665 122.7178 54.9275 17.5907 179.7824 97 K 3.8207 7.4737 116.6041 59.3902 32.3915 179.2228 98 R 4.0697 7.5096 118.5646 59.1894 30.0083 178.5915 99 V 2.3480 7.4412 118.0661 65.8025 31.2163 178.2415 100 V 3.8438 7.6232 110.0714 63.0619 31.2086 177.8880 101 R 4.2654 7.6658 116.7850 56.7343 30.4516 176.1363 102 D 4.8425 7.4715 119.5880 52.2290 42.5389 175.6230 103 P 4.2044 0.0000 0.0000 66.1161 31.4406 178.0900 104 Q 3.9997 8.2428 116.3741 56.8451 29.8525 177.7783 105 G 3.7299 8.3502 107.4666 46.6180 0.0000 175.4906 106 I 3.5539 7.8505 118.9962 63.7182 37.9470 178.2972 107 R 4.1909 7.2733 117.9282 58.0994 29.9291 177.6313 108 A 3.9142 7.6795 120.5242 53.7342 18.7544 177.2457 109 W 4.7166 8.1185 116.9720 54.9849 29.9555 177.5259 110 V 3.7924 8.6515 124.9532 64.8157 30.7381 178.0817 111 A 4.0713 8.2716 120.7739 54.4100 18.1876 179.2229 112 W 3.9991 8.2581 127.1481 60.5877 30.5580 178.4227 113 R 3.6800 8.1376 116.5402 59.3530 29.7169 178.3568 114 N 4.3403 7.8813 114.8474 55.7156 38.6244 176.8599 115 R 4.0295 7.8480 117.1562 56.1455 31.4479 176.3545 116 C 4.5913 7.6936 115.4674 57.5599 42.6131 174.3671 117 Q 3.2416 6.5402 119.2616 57.1227 28.7730 175.2449 118 N 4.1966 8.6501 120.2554 54.3497 36.1203 173.8032 119 R 4.5336 7.2512 115.2168 53.9329 33.4570 175.4720 120 D 4.5283 8.4813 118.7306 54.2840 40.2923 175.8600 121 V 4.5258 8.2163 119.1791 61.3705 32.4024 178.4023 122 R 4.0209 7.9673 121.0783 59.3453 29.2420 178.6176 123 Q 4.1123 8.1428 116.9578 59.5995 28.0435 178.3482 124 Y 4.3443 8.0913 117.5956 59.8106 38.0629 176.8845 125 V 4.4583 7.8233 111.4964 60.5614 32.8505 175.3717 126 Q 4.1047 7.6095 118.2487 57.2664 28.8208 176.6505 127 G 3.9013 8.7491 108.0025 46.5803 0.0000 174.7068 128 C 4.4677 8.0571 115.5729 56.4082 40.6152 174.2037 129 G 3.8644 8.1641 107.3054 46.5754 0.0000 174.1707 130 V 4.0035 7.8564 118.0883 61.0806 32.0242 175.8114 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 1 K 8.17 4.18 0.00 1.80 1.77 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.13 7.81 2 V 8.15 4.53 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.89 4.23 0.00 2.93 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 4 E 8.78 4.32 0.00 1.90 1.86 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 2.34 2.37 0.00 5 R 8.91 3.38 0.00 1.93 1.90 0.00 3.48 0.00 0.00 3.47 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 6 C 8.04 4.25 0.00 3.00 3.12 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 0.00 0.00 0.00 7 E 8.09 3.89 0.00 2.04 2.14 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 2.62 2.41 0.00 8 L 7.96 3.74 0.00 1.52 1.43 -0.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.95 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 3.88 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.89 3.86 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 1.19 0.00 0.00 12 L 8.21 3.87 0.00 1.59 1.60 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.95 3.83 0.00 1.85 1.92 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 R 7.62 3.92 0.00 2.06 1.93 0.00 3.31 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 15 L 7.52 4.30 0.00 1.56 1.56 0.87 0.89 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 16 G 7.89 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 17 M 7.82 3.95 0.00 1.42 2.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 18 D 8.04 4.43 0.00 2.68 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 19 G 9.32 3.94 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 0.00 20 Y 8.23 4.20 0.00 3.18 3.25 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 21 R 9.16 3.64 0.00 1.86 1.82 0.00 3.22 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.26 0.00 22 G 8.37 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.74 4.12 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.79 -0.21 0.00 0.00 24 S 8.34 4.76 0.00 4.06 4.03 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 L 9.25 4.18 0.00 2.06 1.82 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.17 1.51 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 0.00 0.00 27 N 8.17 4.45 0.00 2.81 2.90 0.00 0.00 6.96 7.65 0.00 0.00 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 W 8.00 4.22 0.00 3.51 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 29 M 8.45 4.20 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.91 0.00 30 C 8.04 3.13 0.00 2.62 3.16 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 31 L 8.15 3.95 0.00 1.79 1.81 0.61 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.44 4.22 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 33 K 8.23 2.87 0.00 1.53 1.47 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.57 1.19 7.81 34 W 7.82 4.33 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.37 0.00 1.93 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 2.54 2.39 0.00 36 S 8.01 4.54 0.00 4.05 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 0.00 37 G 8.24 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 3.64 0.00 3.24 2.98 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 0.00 0.00 0.00 0.00 39 N 7.81 5.25 0.00 2.83 2.79 0.00 0.00 7.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.95 4.15 4.42 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 0.00 0.00 0.00 1.46 0.00 0.00 41 R 8.03 4.44 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 42 A 7.62 4.34 1.36 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 0.00 0.00 43 T 8.28 5.42 4.05 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 0.00 0.00 1.34 0.00 0.00 44 N 8.28 4.88 0.00 2.83 2.76 0.00 0.00 6.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.77 4.74 0.00 3.00 2.86 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 46 N 8.51 4.68 0.00 2.64 2.60 0.00 0.00 6.60 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.26 3.63 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 48 G 8.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.49 4.70 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 4.01 0.00 2.04 2.22 0.00 3.13 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 51 S 8.01 4.92 0.00 3.88 3.91 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 52 T 8.57 5.06 3.95 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 0.60 0.00 0.00 53 D 8.57 5.43 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.10 4.87 0.00 2.90 2.85 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 55 G 8.96 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 0.00 0.00 0.00 0.00 56 I 7.19 3.72 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.64 0.10 0.00 0.00 57 F 7.97 4.74 0.00 3.22 2.99 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 58 Q 7.88 3.56 0.00 2.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 59 I 8.35 4.39 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 1.14 0.00 0.00 60 N 9.20 5.40 0.00 3.07 3.00 0.00 0.00 6.97 7.18 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 61 S 9.42 4.65 0.00 4.13 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.94 3.71 0.00 1.49 1.03 0.00 2.65 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 63 Y 7.57 4.20 0.00 1.47 1.87 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 64 W 7.98 4.86 0.00 3.61 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.93 5.55 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 66 N 8.97 4.84 0.00 2.79 2.71 0.00 0.00 7.11 8.45 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 67 D 8.73 4.76 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.99 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 0.00 0.00 0.00 0.00 69 K 8.24 4.33 0.00 1.86 1.95 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 70 T 7.53 4.41 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 1.16 0.00 0.00 71 P 0.00 4.24 0.00 2.15 1.96 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 72 G 8.72 3.87 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 0.00 0.00 0.00 73 A 7.14 4.50 1.18 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 0.00 0.00 0.00 74 V 8.50 4.34 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 0.64 0.00 0.00 0.89 0.00 0.00 75 N 8.11 4.93 0.00 2.78 2.64 0.00 0.00 6.74 8.30 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 76 A 8.96 3.95 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 77 C 8.55 4.53 0.00 3.27 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.72 4.12 0.00 3.38 3.41 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.30 4.87 0.00 1.67 1.50 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.31 4.71 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.55 3.91 0.00 2.25 1.18 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 0.00 82 S 7.75 3.91 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.93 4.08 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 84 L 7.81 4.44 0.00 1.92 1.93 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.86 4.99 0.00 1.66 1.72 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.75 4.36 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 87 D 8.49 4.49 0.00 2.66 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 88 N 8.00 4.78 0.00 2.70 2.72 0.00 0.00 6.88 7.94 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 89 I 8.40 4.81 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.84 0.00 0.00 90 A 8.71 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.33 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.07 4.48 0.00 2.80 2.89 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 93 V 7.91 3.42 2.17 0.00 0.00 0.00 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 0.86 0.00 0.00 94 A 7.96 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 4.22 0.00 3.17 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 96 A 8.27 3.82 0.99 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 97 K 7.47 3.82 0.00 1.64 1.47 0.00 1.30 0.00 0.00 0.90 0.00 0.00 2.28 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.84 7.81 98 R 7.51 4.07 0.00 1.97 2.12 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 99 V 7.44 2.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 100 V 7.62 3.84 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 1.21 0.00 0.00 1.38 0.00 0.00 101 R 7.67 4.27 0.00 2.12 2.04 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.12 0.00 102 D 7.47 4.84 0.00 2.99 2.59 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 0.00 103 P 0.00 4.20 0.00 2.03 2.13 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 104 Q 8.24 4.00 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.35 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.85 3.55 1.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 -0.55 0.00 0.00 107 R 7.27 4.19 0.00 1.96 2.03 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 108 A 7.68 3.91 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 0.00 109 W 8.12 4.72 0.00 3.73 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 0.00 110 V 8.65 3.79 2.16 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 0.89 0.00 0.00 0.98 0.00 0.00 111 A 8.27 4.07 1.50 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 0.00 112 W 8.26 4.00 0.00 3.50 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 0.00 113 R 8.14 3.68 0.00 2.03 1.98 0.00 3.34 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 1.89 2.01 0.00 114 N 7.88 4.34 0.00 2.55 2.71 0.00 0.00 6.99 7.69 0.00 0.00 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 R 7.85 4.03 0.00 1.32 0.83 0.00 2.21 0.00 0.00 2.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.13 0.00 116 C 7.69 4.59 0.00 1.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.54 3.24 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 118 N 8.65 4.20 0.00 2.81 2.83 0.00 0.00 6.81 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 0.00 119 R 7.25 4.53 0.00 1.73 1.80 0.00 3.27 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 120 D 8.48 4.53 0.00 2.64 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 0.00 121 V 8.22 4.53 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.05 0.00 0.00 122 R 7.97 4.02 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 123 Q 8.14 4.11 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.20 1.56 0.00 124 Y 8.09 4.34 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 0.00 125 V 7.82 4.46 2.14 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 1.14 0.00 0.00 1.07 0.00 0.00 126 Q 7.61 4.10 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 127 G 8.75 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 0.00 128 C 8.06 4.47 0.00 2.95 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 0.00 129 G 8.16 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 0.00 130 V 7.86 4.00 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 0.96 0.00 0.00