NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3887 8.3344 115.2904 57.7070 63.6712 173.2855 3 S 4.0819 8.3557 121.5025 57.2002 63.0034 173.2039 4 Q 3.9585 8.6813 127.8546 58.6735 29.7794 176.6664 5 I 4.2301 7.1550 107.7927 60.2234 38.3205 175.7028 6 R 4.2785 7.3362 122.4426 56.2312 28.9342 175.6614 7 Q 4.3358 8.7825 124.0337 56.3844 31.8154 173.2348 8 N 4.2314 9.0433 122.8011 54.6435 37.3712 173.0306 9 Y 4.9493 7.2387 117.1474 54.9715 38.9172 175.8795 10 S 4.2501 8.1511 122.9800 58.1842 65.2115 175.1446 11 T 3.7460 8.2975 114.3514 64.7519 68.5006 176.6140 12 D 4.2160 7.8243 121.5870 57.2907 40.9406 178.6161 13 V 3.4730 7.1082 117.7929 65.7217 31.5342 177.4454 14 E 3.6760 7.6405 118.8213 59.1744 29.4427 178.7561 15 A 3.8511 8.0413 120.3790 55.2553 18.5206 179.2874 16 A 3.9390 8.4818 119.5833 55.3474 18.3078 180.1456 17 V 3.4985 8.2106 116.9341 66.4237 31.8680 177.9629 18 N 4.2661 8.0341 116.0991 56.3147 38.1878 177.3720 19 S 4.0508 8.0144 114.3358 61.4544 62.6523 176.0040 20 L 3.9895 7.9669 122.8921 57.9165 41.5848 179.1725 21 V 3.7442 7.9259 118.4778 66.1363 31.5288 177.3609 22 N 4.2895 8.1044 116.3378 56.7325 38.7616 176.4165 23 L 3.9942 8.3279 121.9229 58.4211 42.1397 178.6866 24 Y 4.0149 8.2295 116.6720 60.8764 37.8792 177.9254 25 L 4.0481 8.3709 120.2524 57.7841 41.7016 179.3478 26 Q 4.0559 8.6047 119.5549 59.3455 29.0767 178.2104 27 A 3.9654 8.1912 121.7490 55.0518 18.2714 179.4699 28 S 4.3021 8.8265 112.0291 61.9090 62.4962 175.5920 29 Y 4.5051 8.3492 122.2260 61.2869 38.4765 178.2545 30 T 3.7387 8.0083 116.3670 67.0435 68.5691 176.1854 31 Y 4.0837 7.7984 118.4126 60.8315 37.8253 178.3542 32 L 4.1607 8.5083 121.8033 58.1923 42.2083 178.9725 33 S 4.2492 8.4146 113.2134 61.5230 62.4492 175.8420 34 L 3.5452 7.9391 122.1106 57.6650 41.0152 179.5925 35 G 3.9003 8.4797 104.3286 48.3453 0.0000 175.4811 36 F 4.4267 8.4393 120.0470 59.1476 38.8323 177.3746 37 Y 4.2018 8.2108 120.1752 60.7090 38.7640 177.2981 38 F 4.2743 8.3823 116.5900 58.8761 38.9445 176.2555 39 D 4.6089 7.6656 117.1603 54.3375 41.9217 176.5308 40 R 4.0548 7.2675 119.2066 56.4965 30.6206 177.3843 41 D 4.5094 8.7662 121.4893 56.2094 39.3459 176.9739 42 D 4.5882 7.9549 116.5450 53.6926 40.2488 176.3526 43 V 3.8577 7.5738 117.8997 64.3712 33.5190 175.3846 44 A 3.8396 8.1897 118.9009 53.3350 16.0432 177.7215 45 L 4.7432 8.2382 120.9086 50.9222 43.3691 177.4596 46 E 4.0392 8.6584 123.5914 58.9689 29.8682 178.0113 47 G 3.6154 8.0621 105.2211 47.9709 0.0000 175.6373 48 V 3.2269 7.5334 120.4926 65.2642 31.5470 177.6887 49 S 4.2534 8.2900 113.2200 61.8749 62.2820 175.6766 50 H 4.0255 8.7413 121.0863 59.1642 29.5879 176.7555 51 F 4.1588 8.0532 123.7525 60.8376 39.1483 177.1623 52 F 4.4810 8.1774 117.0818 60.3581 38.6298 178.0535 53 R 4.0456 8.0683 117.7837 58.7137 29.4133 178.9732 54 E 3.7857 7.9627 118.7618 59.3806 29.5501 179.1615 55 L 3.6445 7.2417 118.1775 57.4017 41.3015 179.5540 56 A 4.1111 7.6513 120.8104 55.2700 18.3659 179.3342 57 E 3.9331 7.8473 117.8074 59.2213 29.5420 178.8063 58 E 3.9235 8.3643 119.1516 59.1698 29.3709 179.4195 59 K 4.3123 8.2106 118.7341 59.3387 32.1327 179.4107 60 R 3.1060 7.7623 118.9213 59.1398 29.9536 178.4464 61 E 3.8893 8.0900 118.6221 59.0351 29.3634 179.4915 62 G 3.4687 7.5850 105.9512 48.0055 0.0000 175.3491 63 Y 4.3122 7.4971 120.2292 59.3974 38.0771 177.8369 64 E 4.0383 7.7658 120.6264 59.2421 29.4949 179.0991 65 R 3.9298 8.3800 119.0746 59.5831 30.1627 178.5089 66 L 4.2104 8.2656 118.7324 58.0069 41.5307 179.6134 67 L 4.1194 8.8441 119.4317 57.4314 41.5091 179.7906 68 K 3.9486 8.3088 118.8890 59.7892 32.1371 179.0240 69 M 3.8094 8.2478 118.6571 58.3739 31.9976 178.0309 70 Q 3.8326 7.8365 119.7645 59.3749 28.8916 178.1332 71 N 4.3582 7.9018 117.1977 56.2515 38.2736 177.4939 72 Q 3.9388 7.7479 118.8419 59.0810 29.0552 178.8398 73 R 3.8134 7.6311 118.7064 57.2698 29.7400 178.1194 74 G 4.1170 7.3321 104.2962 45.0540 0.0000 174.4346 75 G 4.4990 7.6188 107.9616 44.8787 0.0000 173.3587 76 R 4.4210 8.8237 120.8436 54.0864 31.5447 176.4052 77 A 4.2729 8.3546 125.8809 51.5530 19.1888 176.5590 78 L 4.5324 8.7199 123.1389 52.7893 44.3495 176.2345 79 F 4.9288 8.5373 122.2464 56.0886 40.6518 175.0412 80 Q 4.7938 8.3161 121.6182 53.5286 32.2613 175.1319 81 D 4.4362 8.5614 118.8848 54.9161 41.3205 176.5535 82 I 4.3387 7.9990 122.7730 59.2929 37.9063 176.1111 83 K 4.1043 8.6610 126.1291 55.8931 32.4209 177.4383 84 K 3.9126 8.5264 122.6684 55.9261 32.8288 174.9239 85 P 4.3164 0.0000 0.0000 62.3169 31.8915 177.4202 86 A 3.6525 8.8418 124.6427 54.6824 18.2687 177.0785 87 E 4.3056 6.7437 112.2312 54.5245 32.7146 175.1764 88 D 4.7348 7.8486 117.0139 54.2474 43.0176 176.6575 89 E 4.3042 7.0494 116.8347 54.3773 33.2650 174.9756 90 W 4.1909 5.8976 120.3976 55.5698 30.8774 177.9532 91 G 3.8829 7.1503 106.9584 47.0687 0.0000 175.0843 92 K 4.6386 8.5284 123.2422 55.1631 34.8251 177.3692 93 T 4.1948 8.7611 117.4871 67.0692 68.3729 174.8376 94 P 4.4410 0.0000 0.0000 65.6400 31.2982 178.4620 95 D 4.3931 8.2190 117.0198 57.3667 40.8358 178.4838 96 A 4.1385 8.2507 121.2260 55.4920 18.4064 179.2745 97 M 4.2395 8.8134 117.1843 58.9418 32.2862 178.6412 98 K 4.0411 8.3595 118.4723 59.2593 32.2341 179.1553 99 A 4.0531 8.1052 120.9719 55.1122 18.3397 179.6396 100 A 3.8348 8.3312 119.3615 55.5825 18.6574 179.3406 101 M 4.1342 8.4829 116.7784 58.9405 32.1625 178.4027 102 A 4.0266 8.1670 120.8375 54.8952 18.6350 179.2349 103 L 3.8715 7.7751 118.8279 58.4538 42.1093 179.1507 104 E 4.0504 8.8066 118.7830 59.4671 29.4554 179.5514 105 K 4.1002 8.0235 118.0325 58.9874 32.0313 179.4712 106 K 3.9188 8.0989 120.1137 59.4846 32.1614 178.8558 107 L 3.8560 7.8116 119.2101 57.7872 41.4560 178.8436 108 N 4.3067 8.7598 117.2578 57.0132 38.7837 176.5827 109 Q 3.9438 8.2601 120.4640 59.0945 29.0506 177.9708 110 A 4.0035 8.0609 121.8496 54.9972 18.2884 179.5890 111 L 3.9276 8.2330 117.8095 58.1732 41.8096 179.8240 112 L 4.0432 8.2744 119.0027 57.7939 41.3822 179.5241 113 D 4.3569 8.2504 119.1508 57.1958 40.7747 178.4487 114 L 3.9483 8.2836 121.2494 58.2029 41.9795 178.5097 115 H 4.0315 8.6705 118.3904 59.2924 29.9056 177.0130 116 A 4.0668 8.0458 122.5810 55.1833 18.1359 179.3751 117 L 4.0144 8.3116 119.0831 58.1569 42.1589 179.4191 118 G 3.6106 8.3549 106.0790 47.9814 0.0000 175.8823 119 S 4.1363 8.5014 117.9780 61.2757 62.6391 176.7045 120 A 4.0769 7.9899 122.3980 54.7048 18.1924 178.9142 121 R 4.2161 8.0416 114.1222 55.1723 31.5949 176.4448 122 T 3.4371 7.5432 108.6173 63.2501 67.9168 173.7640 123 D 4.8598 8.0835 120.8981 51.8144 41.7935 173.8811 124 P 4.3807 0.0000 0.0000 65.1782 31.4895 178.0564 125 H 4.2211 8.1846 118.1077 59.0577 29.9195 176.6867 126 L 3.9502 8.2826 122.0959 58.4278 41.9511 178.5137 127 C 3.9489 7.8638 116.2019 62.9671 28.0564 175.7731 128 D 4.3366 8.2372 119.3198 57.3991 40.8699 177.7404 129 F 4.2247 8.5660 121.5143 61.5483 39.1681 177.2399 130 L 4.1639 8.1981 118.2959 57.8956 41.3629 179.1266 131 E 3.9976 8.1827 117.2743 59.7045 29.4421 179.4804 132 T 3.9157 8.1027 115.0628 66.7532 68.7366 176.0961 133 H 4.3405 7.6003 115.3783 56.2568 29.5758 176.0784 134 F 4.7035 8.0595 117.5277 59.1086 40.5271 177.2808 135 L 4.0079 8.1030 117.7298 58.6114 41.4975 179.3149 136 D 4.4233 8.0395 116.6577 57.0923 41.1179 177.9828 137 E 4.0269 8.0233 118.9772 59.0227 29.4369 178.8650 138 E 3.9782 8.4261 118.8510 59.4425 29.7034 179.0543 139 V 3.5914 7.7619 118.2318 66.4283 31.4901 178.3065 140 K 4.0325 8.0793 117.8539 59.2092 31.7762 179.2530 141 L 3.9863 7.7284 120.6216 58.1286 41.9739 179.0365 142 I 3.7501 8.5039 120.2437 64.2343 37.0182 178.2992 143 K 3.9065 8.1462 120.4828 59.2713 32.1226 178.5837 144 K 3.8492 8.0119 119.8567 60.0303 32.0468 178.6853 145 M 4.3115 8.4717 119.1226 58.2236 31.8280 178.9629 146 G 3.6457 8.3601 106.2535 48.0078 0.0000 175.4510 147 D 4.3871 8.2761 121.4422 57.2803 40.6762 178.7273 148 H 4.1888 7.9089 116.1978 58.8463 28.7168 177.7076 149 L 4.0047 8.2035 121.0559 58.2764 41.4829 179.7784 150 T 3.8714 7.9110 115.4937 66.8471 68.1635 176.5016 151 N 4.4508 7.9599 117.1723 55.9717 38.6951 177.3360 152 L 4.1332 8.2685 121.0319 57.9836 41.5086 178.8980 153 H 4.1018 8.4444 118.3226 59.2630 29.6018 177.3079 154 R 4.1243 7.9880 119.3903 58.6153 29.8808 176.8045 155 L 4.6676 7.4493 118.1758 55.0033 42.9367 176.8513 156 G 3.7284 7.5674 112.6897 45.7078 0.0000 173.9215 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 2 S 8.33 4.39 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 3 S 8.36 4.08 0.00 4.06 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 4 Q 8.68 3.96 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 5 I 7.15 4.23 1.84 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 1.16 0.74 0.89 0.00 0.00 6 R 7.34 4.28 0.00 1.77 1.97 0.00 3.20 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 7 Q 8.78 4.34 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.11 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 8 N 9.04 4.23 0.00 2.89 2.89 0.00 0.00 6.98 7.54 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 9 Y 7.24 4.95 0.00 2.80 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 10 S 8.15 4.25 0.00 3.99 3.92 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 0.00 0.00 0.00 11 T 8.30 3.75 4.16 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 1.15 0.00 0.00 12 D 7.82 4.22 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 13 V 7.11 3.47 1.85 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 1.06 0.00 0.00 0.88 0.00 0.00 14 E 7.64 3.68 0.00 1.58 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 0.00 2.24 2.57 0.00 15 A 8.04 3.85 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 3.94 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 17 V 8.21 3.50 2.32 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 1.06 0.00 0.00 1.03 0.00 0.00 18 N 8.03 4.27 0.00 2.90 2.79 0.00 0.00 6.74 7.05 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 19 S 8.01 4.05 0.00 3.92 4.08 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 20 L 7.97 3.99 0.00 1.86 1.91 1.07 0.94 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 21 V 7.93 3.74 2.33 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 1.18 0.00 0.00 1.04 0.00 0.00 22 N 8.10 4.29 0.00 2.89 3.02 0.00 0.00 6.95 5.96 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 23 L 8.33 3.99 0.00 1.93 1.88 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.23 4.01 0.00 3.64 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 25 L 8.37 4.05 0.00 1.84 1.62 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.60 4.06 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 27 A 8.19 3.97 1.43 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 0.00 0.00 0.00 28 S 8.83 4.30 0.00 4.28 4.32 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 29 Y 8.35 4.51 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.01 3.74 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 0.65 0.00 0.00 31 Y 7.80 4.08 0.00 3.27 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 32 L 8.51 4.16 0.00 1.97 2.19 1.39 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.41 4.25 0.00 4.00 4.12 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 34 L 7.94 3.55 0.00 1.32 0.76 -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.48 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 36 F 8.44 4.43 0.00 3.36 3.22 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 0.00 37 Y 8.21 4.20 0.00 3.38 3.23 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 38 F 8.38 4.27 0.00 3.29 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 39 D 7.67 4.61 0.00 2.67 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 40 R 7.27 4.05 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 41 D 8.77 4.51 0.00 2.78 2.82 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 42 D 7.95 4.59 0.00 2.78 2.80 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 43 V 7.57 3.86 1.85 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 0.60 0.00 0.00 0.35 0.00 0.00 44 A 8.19 3.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.74 0.00 1.93 1.59 1.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.66 4.04 0.00 2.05 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 2.39 2.40 0.00 47 G 8.06 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.23 1.68 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 -0.07 0.00 0.00 0.66 0.00 0.00 49 S 8.29 4.25 0.00 4.07 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 50 H 8.74 4.03 0.00 3.28 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.05 4.16 0.00 3.06 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 52 F 8.18 4.48 0.00 3.27 3.27 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 53 R 8.07 4.05 0.00 1.85 1.88 0.00 2.60 0.00 0.00 2.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 54 E 7.96 3.79 0.00 1.83 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 2.14 2.36 0.00 55 L 7.24 3.64 0.00 1.12 0.14 0.50 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.65 4.11 1.46 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 0.00 0.00 57 E 7.85 3.93 0.00 1.98 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 2.26 2.33 0.00 58 E 8.36 3.92 0.00 2.05 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 0.00 2.20 2.35 0.00 59 K 8.21 4.31 0.00 2.17 2.24 0.00 2.00 0.00 0.00 2.07 0.00 0.00 3.00 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.77 2.00 7.81 60 R 7.76 3.11 0.00 1.94 1.97 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 61 E 8.09 3.89 0.00 2.12 1.82 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 2.21 2.34 0.00 62 G 7.58 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 0.00 0.00 0.00 63 Y 7.50 4.31 0.00 3.30 3.38 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 64 E 7.77 4.04 0.00 2.11 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 0.00 2.35 2.33 0.00 65 R 8.38 3.93 0.00 1.91 2.20 0.00 2.54 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 66 L 8.27 4.21 0.00 2.10 1.81 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.84 4.12 0.00 2.00 1.84 1.34 0.84 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 68 K 8.31 3.95 0.00 2.06 1.86 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 69 M 8.25 3.81 0.00 1.59 1.22 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.03 0.00 70 Q 7.84 3.83 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 71 N 7.90 4.36 0.00 2.84 2.83 0.00 0.00 7.11 8.84 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 72 Q 7.75 3.94 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 73 R 7.63 3.81 0.00 0.95 0.66 0.00 3.00 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.00 74 G 7.33 4.12 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 0.00 0.00 0.00 75 G 7.62 4.50 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 76 R 8.82 4.42 0.00 1.77 1.84 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 77 A 8.35 4.27 0.93 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 0.00 0.00 78 L 8.72 4.53 0.00 1.46 1.49 0.88 0.67 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 79 F 8.54 4.93 0.00 3.05 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 80 Q 8.32 4.79 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 81 D 8.56 4.44 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 82 I 8.00 4.34 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 1.03 0.00 0.00 83 K 8.66 4.10 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 84 K 8.53 3.91 0.00 1.70 1.83 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.39 7.81 85 P 0.00 4.32 0.00 2.47 2.22 0.00 3.25 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 86 A 8.84 3.65 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 87 E 6.74 4.31 0.00 1.16 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 1.48 1.53 0.00 88 D 7.85 4.73 0.00 2.44 2.57 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 89 E 7.05 4.30 0.00 1.64 1.66 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 0.00 2.30 2.24 0.00 90 W 5.90 4.19 0.00 2.56 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 91 G 7.15 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.53 4.64 0.00 2.06 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 93 T 8.76 4.19 4.30 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 1.09 0.00 0.00 94 P 0.00 4.44 0.00 2.21 2.15 0.00 3.65 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 2.15 2.22 0.00 95 D 8.22 4.39 0.00 3.15 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 96 A 8.25 4.14 1.72 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 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.81 4.24 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 98 K 8.36 4.04 0.00 2.12 1.90 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.65 7.81 99 A 8.11 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.33 3.83 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 0.00 0.00 101 M 8.48 4.13 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 102 A 8.17 4.03 1.42 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 0.00 0.00 0.00 103 L 7.78 3.87 0.00 1.77 1.78 0.84 0.46 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 0.00 104 E 8.81 4.05 0.00 2.20 2.21 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 2.71 2.64 0.00 105 K 8.02 4.10 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.75 7.81 106 K 8.10 3.92 0.00 1.92 2.00 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 L 7.81 3.86 0.00 1.85 1.52 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.76 4.31 0.00 2.94 3.03 0.00 0.00 6.91 7.38 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 0.00 109 Q 8.26 3.94 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 110 A 8.06 4.00 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 0.00 111 L 8.23 3.93 0.00 1.99 1.79 1.12 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.27 4.04 0.00 1.84 1.74 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.25 4.36 0.00 2.90 2.72 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 0.00 0.00 0.00 0.00 114 L 8.28 3.95 0.00 1.84 1.88 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.67 4.03 0.00 3.37 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.05 4.07 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 0.00 117 L 8.31 4.01 0.00 1.76 1.86 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.35 3.61 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 0.00 0.00 0.00 119 S 8.50 4.14 0.00 3.88 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 0.00 120 A 7.99 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.22 0.00 1.86 1.96 0.00 3.46 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 122 T 7.54 3.44 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 0.00 123 D 8.08 4.86 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.38 0.00 2.34 2.32 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 H 8.18 4.22 0.00 3.24 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.28 3.95 0.00 1.98 1.90 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.86 3.95 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.34 0.00 2.91 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 0.00 129 F 8.57 4.22 0.00 3.04 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.16 0.00 2.08 1.83 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.18 4.00 0.00 2.12 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 2.40 2.70 0.00 132 T 8.10 3.92 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 0.94 0.00 0.00 133 H 7.60 4.34 0.00 2.41 2.58 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.06 4.70 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.10 4.01 0.00 1.71 1.78 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.04 4.42 0.00 2.69 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 0.00 137 E 8.02 4.03 0.00 2.20 1.96 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 2.34 2.37 0.00 138 E 8.43 3.98 0.00 2.26 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 0.00 2.52 2.58 0.00 139 V 7.76 3.59 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 1.04 0.00 0.00 1.02 0.00 0.00 140 K 8.08 4.03 0.00 1.89 1.83 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.78 7.81 141 L 7.73 3.99 0.00 1.81 1.95 0.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.50 3.75 1.91 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 1.47 0.69 0.95 0.00 0.00 143 K 8.15 3.91 0.00 1.89 2.05 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 144 K 8.01 3.85 0.00 2.08 2.10 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 145 M 8.47 4.31 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.81 0.00 146 G 8.36 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.28 4.39 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 148 H 7.91 4.19 0.00 3.33 3.17 0.00 5.63 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 0.00 149 L 8.20 4.00 0.00 1.85 1.76 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.91 3.87 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 1.20 0.00 0.00 151 N 7.96 4.45 0.00 2.84 2.87 0.00 0.00 7.11 7.85 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 0.00 152 L 8.27 4.13 0.00 1.87 1.73 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.44 4.10 0.00 3.36 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.99 4.12 0.00 1.95 2.19 0.00 3.30 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.45 4.67 0.00 1.74 1.66 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.57 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