NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2921 8.1233 123.5273 52.2731 19.0223 177.0369 3 F 4.5362 8.0835 119.4958 58.6780 39.8078 174.2240 4 E 4.3419 8.7887 122.1416 58.3795 30.3807 177.8456 5 A 4.4972 7.8708 120.8575 53.3735 19.2092 176.9368 6 Y 4.4069 7.4118 113.5768 56.0351 39.4344 174.6790 7 P 2.9700 0.0000 0.0000 60.6637 33.3745 175.7234 8 P 4.4835 0.0000 0.0000 65.2888 31.2015 178.2860 9 E 3.8744 8.2734 116.3917 60.1117 29.3821 179.3369 10 V 3.5308 7.7040 117.0385 66.1520 31.4867 177.3486 11 N 4.1105 8.0126 115.3982 56.6249 38.6241 177.7325 12 S 3.7297 8.2684 116.2753 61.3330 62.9549 176.5688 13 A 4.0937 8.0291 123.4570 55.3514 17.9329 179.3234 14 N 4.2361 7.9064 113.7508 56.5867 38.6727 177.1612 15 I 3.8449 7.1116 118.8206 63.5058 37.8444 176.7031 16 Y 4.6511 7.5716 115.5934 59.6548 37.7995 176.4754 17 A 4.2821 8.0705 122.6659 54.4752 18.6828 180.5260 18 G 4.1371 7.9905 107.5945 44.5112 0.0000 171.2207 19 P 4.5024 0.0000 0.0000 62.1324 31.5222 176.2991 20 G 3.7965 7.9003 107.6431 45.0721 0.0000 172.1785 21 P 4.3645 0.0000 0.0000 63.2001 31.5298 177.2578 22 D 4.3025 7.9645 119.9576 57.7867 40.7601 178.0744 23 S 4.0438 8.0793 112.8842 61.9924 62.1977 176.1220 24 M 4.0882 7.9142 120.4368 58.4492 31.7696 178.6725 25 L 3.9069 8.2199 119.1130 57.4964 41.7602 179.4076 26 A 3.9600 8.5094 121.0106 55.0686 18.2774 179.4133 27 A 3.9184 8.0819 119.0328 55.3183 18.4677 179.5897 28 A 4.1507 8.3387 119.4208 55.5966 18.4744 179.9325 29 R 3.9100 8.1623 116.2296 59.3872 30.1221 179.1278 30 A 3.9121 7.9975 120.3324 55.1229 18.5145 179.8059 31 W 4.2130 8.4265 117.6330 59.6500 29.0274 178.8081 32 R 3.9575 8.2474 119.1540 59.5870 29.5987 178.7003 33 S 4.1427 8.1470 114.0577 61.4669 62.7850 176.1861 34 L 3.9215 7.9680 123.9179 57.9129 41.7842 178.4841 35 D 4.3676 8.1184 117.9945 57.0291 41.2213 178.2791 36 V 3.5523 7.9495 118.8370 66.2702 31.6246 177.9342 37 E 4.0060 8.5269 118.5791 59.7030 29.2933 179.2389 38 M 4.2063 8.1965 118.4066 57.9116 32.0547 179.0079 39 T 3.8236 7.8241 116.2576 66.5225 68.6144 176.2560 40 A 4.0000 7.8710 122.5010 55.3749 18.5193 179.7757 41 V 3.7144 7.8509 117.9275 65.6276 31.5999 178.0211 42 Q 4.0985 8.1273 119.3259 59.2673 28.9258 178.4947 43 R 4.0384 8.0910 119.3008 59.1631 29.9790 179.0627 44 S 4.2873 8.6278 114.1291 60.7729 63.0219 176.2505 45 F 4.4078 8.2769 124.6778 61.2622 39.2138 177.1227 46 N 4.3228 8.3067 115.8994 55.8553 38.3339 177.4854 47 R 3.8347 7.9922 120.4263 59.7969 29.8368 178.5315 48 T 3.8447 7.7167 115.2913 66.6977 68.2167 176.6612 49 L 3.7394 7.3874 119.6294 57.7722 41.9705 178.2489 50 L 3.9838 8.5321 121.5155 56.4774 41.3904 178.0622 51 S 4.2032 7.0763 119.4495 60.5309 63.5291 174.7938 52 L 4.7009 7.1843 123.3745 54.9785 42.4758 176.5968 53 M 4.6389 7.9229 115.9610 55.7924 34.4512 176.0639 54 D 4.5399 8.1746 114.9619 55.2929 40.9479 176.8565 55 A 4.0684 7.9781 125.5108 55.0989 18.7686 178.8825 *56 W 4.4671 7.9327 115.4264 55.8398 31.5212 177.8178 57 A 4.5553 8.5218 129.1975 49.4486 17.5537 176.2823 58 G 4.2656 7.7710 107.1534 41.6381 0.0000 168.6267 59 P 4.2413 0.0000 0.0000 65.8385 31.0750 178.9309 60 V 3.5845 7.8136 115.2500 65.8473 31.5865 177.7872 61 V 3.7899 7.5987 117.1004 65.8682 31.8940 177.1208 62 M 3.9336 8.2659 118.6766 59.1075 32.0353 178.2883 63 Q 4.0778 8.0685 116.8841 58.8822 28.4804 178.0235 64 L 4.0120 7.7412 122.1581 58.0474 41.9918 178.2974 65 M 4.0453 8.0079 117.6962 58.4345 32.4489 177.5336 66 E 4.0922 8.1214 119.0852 58.9252 29.6534 178.0923 67 A 4.1841 7.8750 118.4878 53.6685 18.8685 178.7376 68 A 4.2923 7.7549 119.3890 54.3147 18.6417 179.5740 69 K 3.9157 7.6612 116.9034 59.7120 32.2343 177.2048 70 P 4.3750 0.0000 0.0000 65.7181 31.1511 178.4577 71 F 4.2442 8.6458 119.4578 61.3953 39.3434 177.7329 72 V 3.8028 8.1279 111.7219 64.3318 31.4539 178.4134 73 R 3.8815 8.2032 118.5156 59.2972 29.9947 178.2613 74 W 4.1182 8.3704 128.1661 60.4228 30.5379 177.6565 75 L 3.4888 8.1130 120.3788 58.0945 41.5096 178.9596 76 T 3.9110 7.7803 115.6578 66.8828 68.4521 176.1517 77 D 4.2490 7.9202 120.5411 57.3401 40.7520 178.7455 78 L 3.7774 7.3839 120.7214 58.0215 41.9400 178.5096 79 C 4.0271 7.8480 118.6752 62.5613 31.2868 175.7574 80 V 3.6490 7.4090 119.8172 65.4892 31.4929 177.4699 81 Q 3.9494 7.9594 119.3452 58.8327 28.9440 178.1831 82 L 4.3310 8.3788 120.7910 57.9705 41.9188 179.5346 83 S 4.2403 8.1869 113.8486 61.2867 62.5965 176.3463 84 E 4.0532 7.7189 121.6006 58.8855 29.2637 178.6678 85 V 3.2612 7.4153 118.1283 66.0524 31.3704 177.5032 86 E 3.9624 8.1869 118.2070 59.3931 29.3880 178.6716 87 R 3.8608 7.8606 117.9432 59.6814 30.3085 178.3690 88 Q 3.9810 8.0794 117.7966 58.8688 28.5450 178.8138 89 I 3.6742 7.9440 121.0485 64.8562 37.1679 178.2192 90 H 4.0537 8.2631 116.9123 58.6919 28.4251 177.5601 91 E 3.9108 8.1461 121.3543 59.0841 29.4296 178.8758 92 I 3.6938 7.7714 119.8858 64.3605 37.1955 178.3625 93 V 3.5786 7.9227 119.1528 66.2013 31.3748 177.7957 94 R 3.4170 7.9543 118.0208 59.2707 29.7260 178.2897 95 A 4.1190 7.8835 120.3392 55.3247 18.4882 178.7501 96 Y 3.3430 8.5002 118.5494 60.7134 38.7844 177.8969 97 E 3.5607 8.3524 120.3833 59.2147 29.5352 179.0215 98 W 4.3503 7.7601 118.4319 59.6542 29.2388 178.4565 99 A 3.7508 7.8324 120.7947 55.2596 17.4833 179.1036 100 H 3.6071 7.6486 115.9052 59.5768 29.9102 176.6647 101 H 4.3458 7.9574 118.8705 58.8161 29.8183 176.3005 102 D 4.5456 8.1749 119.4570 54.9951 41.3287 177.0278 103 M 4.1052 6.8635 118.3278 55.0524 32.5025 176.1418 104 V 3.6292 8.2900 121.9727 61.6400 32.1881 174.5416 105 P 4.4659 0.0000 0.0000 61.8669 32.0724 177.1781 106 L 3.4790 8.6291 121.9583 57.8075 41.3691 179.7555 107 A 4.0569 7.7199 120.0129 55.3952 18.3408 179.5414 108 Q 4.0061 7.6471 116.5901 58.9675 28.7595 179.1919 109 I 3.8679 7.2532 120.2608 64.7080 37.2110 177.8717 110 Y 4.4804 8.1131 117.8156 61.3731 37.7284 178.4504 111 N 4.3845 8.8007 117.8165 56.4328 38.7507 176.9718 112 N 4.4209 8.2636 118.0399 56.8215 39.1327 177.2059 113 R 3.9909 8.2400 119.1274 58.7832 30.2159 178.8147 114 A 3.9852 8.3748 121.0203 55.0735 18.4034 179.2517 115 E 3.8089 8.1236 117.7929 59.3365 29.6960 178.8000 116 R 3.8171 7.8048 118.3195 59.7335 30.1745 178.1727 117 Q 4.0291 8.1405 119.0612 59.1222 28.6696 178.5132 118 I 3.8610 7.2877 121.4610 63.7935 37.5180 177.8710 119 L 3.7160 7.8415 119.6359 57.8872 41.4468 179.6419 120 I 3.7539 8.1120 119.9681 64.6207 37.1395 178.0704 121 D 4.5975 8.3547 119.2883 56.4483 40.2693 177.5862 122 N 5.1590 7.8998 114.6663 52.9053 40.1085 173.9460 123 N 5.0416 8.1987 116.1598 53.2325 39.2470 176.6597 124 A 4.0926 8.2760 121.8637 54.1345 18.5414 179.3623 125 L 4.3222 7.9666 113.7893 54.9232 42.6117 177.1496 126 G 3.9104 7.7488 106.0333 45.8608 0.0000 174.8313 127 Q 3.8268 7.9518 122.5750 57.8686 29.4453 176.9478 128 F 4.9688 9.0589 116.3339 57.6752 39.6666 177.7636 129 T 3.9198 8.0075 118.7489 66.6819 68.2831 176.0748 130 A 3.9597 7.9185 122.0582 55.4856 18.6891 179.6610 131 Q 4.5597 8.0352 117.3131 58.5390 28.8088 178.9809 132 I 3.7313 7.9144 120.9346 64.2669 37.1604 178.1290 133 A 4.0738 7.9945 121.5960 55.3615 18.1944 179.3956 134 D 4.3137 8.0199 116.8377 57.5800 40.8170 179.0517 135 L 4.0821 7.7812 118.9321 57.5938 41.6617 179.1445 136 D 4.4063 8.6464 119.3786 57.4698 40.6833 178.6579 137 Q 3.9848 8.2563 120.1009 58.8366 29.0480 177.6563 138 E 3.6149 8.0462 120.4744 59.3805 29.6871 178.1547 139 Y 3.9260 8.1084 119.7274 60.9270 38.8906 177.9138 140 D 4.3886 8.6708 120.1009 57.3477 40.8223 178.5414 141 D 4.3998 8.1940 119.8932 57.2776 40.7148 178.7223 142 F 4.5791 7.8962 118.4428 60.1353 38.8886 177.4996 143 W 3.9254 8.1625 128.0615 60.6191 30.4987 177.8470 144 D 5.3007 8.3339 120.1400 56.9168 40.2970 178.2819 145 E 3.9477 8.7075 120.2271 59.6102 29.7570 178.6888 146 D 4.4040 8.4413 119.1190 57.2892 40.8509 179.0891 147 G 3.7507 8.1621 106.2421 47.7247 0.0000 175.4892 148 E 4.0378 8.5533 121.9007 58.9059 29.6795 179.0101 149 V 3.5363 7.8816 118.4028 66.2902 31.6265 177.7798 150 M 3.8489 7.9862 117.9479 58.2185 31.9322 178.1367 151 R 4.0778 8.1425 118.9987 59.7512 30.3105 178.3372 152 D 4.4366 8.3317 118.7145 57.2758 40.7503 178.1556 153 Y 4.3089 8.1244 120.1581 60.8379 38.7831 177.9200 154 R 3.7490 7.9929 119.5412 59.4703 30.0794 178.3835 155 L 3.9861 7.9957 118.4356 58.0161 41.7132 179.7174 156 R 3.9785 8.2025 118.0232 59.2589 29.9279 179.4325 157 V 3.5294 7.9183 118.0213 65.9209 31.6096 177.8461 158 S 4.0269 8.1958 113.1372 61.5488 61.9470 175.6894 159 D 4.2808 8.0726 119.1511 57.2243 41.1295 177.7923 160 A 4.1025 7.9420 121.1760 55.2771 18.4475 179.5785 161 L 3.9072 8.1233 117.9356 57.9350 41.4182 179.9774 162 S 4.1474 7.8145 113.1997 61.2133 62.9414 176.4698 163 K 4.2762 7.6091 121.1457 57.7880 32.2242 177.2411 164 L 4.0224 7.1151 118.6405 53.7964 40.2215 176.4162 165 T 3.9991 7.6336 120.1652 61.7142 69.3215 173.3407 166 P 4.0646 0.0000 0.0000 62.7559 31.5613 175.9706 167 W 4.4982 8.4174 120.9429 56.3807 29.3548 175.8905 168 K 4.5694 8.8036 123.0917 55.0297 33.6940 176.5543 169 A 4.2660 8.5870 125.0211 51.6405 19.0094 175.3051 170 P 2.9700 0.0000 0.0000 60.7877 32.3492 174.3699 171 P 4.3602 0.0000 0.0000 61.5290 32.1524 174.4409 172 P 4.4395 0.0000 0.0000 62.6647 32.7706 175.7512 173 I 4.5873 7.5916 115.5323 60.2990 37.5950 175.6901 174 A 4.1292 7.8136 126.6346 52.5151 18.2199 177.8327 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 A 8.12 4.29 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 3 F 8.08 4.54 0.00 3.33 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 4 E 8.79 4.34 0.00 2.12 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 0.00 2.54 2.36 0.00 5 A 7.87 4.50 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 6 Y 7.41 4.41 0.00 3.19 2.75 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 7 P 0.00 2.97 0.00 2.01 1.56 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 8 P 0.00 4.48 0.00 2.11 2.05 0.00 3.51 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 9 E 8.27 3.87 0.00 2.10 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 0.00 2.63 2.62 0.00 10 V 7.70 3.53 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 0.84 0.00 0.00 1.01 0.00 0.00 11 N 8.01 4.11 0.00 2.79 2.71 0.00 0.00 7.18 7.48 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 12 S 8.27 3.73 0.00 3.79 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 13 A 8.03 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.91 4.24 0.00 2.80 2.83 0.00 0.00 7.05 7.01 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 15 I 7.11 3.84 1.53 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 1.09 0.35 0.07 0.00 0.00 16 Y 7.57 4.65 0.00 3.08 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 17 A 8.07 4.28 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 18 G 7.99 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 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.16 2.13 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 20 G 7.90 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 21 P 0.00 4.36 0.00 2.22 2.20 0.00 3.72 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 2.04 2.34 0.00 22 D 7.96 4.30 0.00 2.75 2.75 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 23 S 8.08 4.04 0.00 3.84 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 24 M 7.91 4.09 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 25 L 8.22 3.91 0.00 1.80 1.70 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.51 3.96 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 27 A 8.08 3.92 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 28 A 8.34 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.91 0.00 2.09 2.02 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 30 A 8.00 3.91 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 31 W 8.43 4.21 0.00 3.60 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 32 R 8.25 3.96 0.00 2.14 2.20 0.00 3.33 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 33 S 8.15 4.14 0.00 4.09 4.11 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 0.00 0.00 0.00 34 L 7.97 3.92 0.00 2.00 1.95 0.78 0.65 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 35 D 8.12 4.37 0.00 3.06 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 36 V 7.95 3.55 2.27 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 0.99 0.00 0.00 0.97 0.00 0.00 37 E 8.53 4.01 0.00 1.98 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 0.00 2.61 2.48 0.00 38 M 8.20 4.21 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 39 T 7.82 3.82 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 1.22 0.00 0.00 40 A 7.87 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.71 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 1.29 0.00 0.00 1.00 0.00 0.00 42 Q 8.13 4.10 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 43 R 8.09 4.04 0.00 2.10 1.99 0.00 3.20 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 44 S 8.63 4.29 0.00 4.09 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 45 F 8.28 4.41 0.00 3.36 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 46 N 8.31 4.32 0.00 3.01 2.86 0.00 0.00 6.68 7.59 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 47 R 7.99 3.83 0.00 2.18 2.09 0.00 3.12 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 48 T 7.72 3.84 4.23 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 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8.52 4.56 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 58 G 7.77 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 0.00 0.00 0.00 0.00 59 P 0.00 4.24 0.00 2.16 2.14 0.00 3.61 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 2.12 2.17 0.00 60 V 7.81 3.58 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 0.83 0.00 0.00 0.93 0.00 0.00 61 V 7.60 3.79 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 0.97 0.00 0.00 0.92 0.00 0.00 62 M 8.27 3.93 0.00 2.09 2.08 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 2.61 2.59 0.00 63 Q 8.07 4.08 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 64 L 7.74 4.01 0.00 1.79 1.81 0.92 0.88 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 65 M 8.01 4.05 0.00 2.22 2.06 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 W 8.37 4.12 0.00 3.50 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 75 L 8.11 3.49 0.00 1.93 1.72 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.78 3.91 4.35 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 1.19 0.00 0.00 77 D 7.92 4.25 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 3.78 0.00 0.64 1.17 0.69 0.46 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 79 C 7.85 4.03 0.00 3.05 3.10 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 0.00 0.00 0.00 0.00 80 V 7.41 3.65 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 0.93 0.00 0.00 0.95 0.00 0.00 81 Q 7.96 3.95 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 1.41 1.97 0.00 82 L 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0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.15 3.91 0.00 2.05 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 0.00 2.34 2.38 0.00 92 I 7.77 3.69 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.69 0.95 0.00 0.00 93 V 7.92 3.58 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 1.03 0.00 0.00 0.89 0.00 0.00 94 R 7.95 3.42 0.00 1.65 1.87 0.00 2.86 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 95 A 7.88 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.50 3.34 0.00 3.16 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 97 E 8.35 3.56 0.00 2.04 1.56 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 0.00 2.15 2.29 0.00 98 W 7.76 4.35 0.00 3.62 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 107 A 7.72 4.06 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 0.00 108 Q 7.65 4.01 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 109 I 7.25 3.87 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 1.11 0.00 0.00 110 Y 8.11 4.48 0.00 3.11 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 0.00 111 N 8.80 4.38 0.00 2.88 2.94 0.00 0.00 6.69 6.72 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 0.00 112 N 8.26 4.42 0.00 3.09 3.36 0.00 0.00 7.23 8.74 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 0.00 113 R 8.24 3.99 0.00 1.99 1.96 0.00 3.32 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 114 A 8.37 3.99 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 0.00 115 E 8.12 3.81 0.00 2.22 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 2.27 2.29 0.00 116 R 7.80 3.82 0.00 2.02 2.04 0.00 3.17 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 117 Q 8.14 4.03 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 118 I 7.29 3.86 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.29 0.81 0.00 0.00 119 L 7.84 3.72 0.00 1.77 1.60 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.11 3.75 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.92 0.00 0.00 121 D 8.35 4.60 0.00 2.85 2.73 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 0.00 122 N 7.90 5.16 0.00 2.75 3.03 0.00 0.00 6.76 7.34 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 0.00 123 N 8.20 5.04 0.00 3.21 2.82 0.00 0.00 7.10 8.79 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 0.00 124 A 8.28 4.09 1.31 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 0.00 0.00 125 L 7.97 4.32 0.00 1.58 1.69 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.75 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 0.00 0.00 0.00 127 Q 7.95 3.83 0.00 1.67 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 7.38 0.00 0.00 0.00 0.00 0.00 1.58 2.03 0.00 128 F 9.06 4.97 0.00 3.11 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 0.00 129 T 8.01 3.92 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 1.22 0.00 0.00 130 A 7.92 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 0.00 131 Q 8.04 4.56 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 132 I 7.91 3.73 2.13 0.00 0.00 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 1.47 0.66 0.92 0.00 0.00 133 A 7.99 4.07 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 0.00 134 D 8.02 4.31 0.00 2.96 2.73 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 0.00 135 L 7.78 4.08 0.00 1.85 1.72 0.97 1.20 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 0.00 136 D 8.65 4.41 0.00 2.83 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 0.00 137 Q 8.26 3.98 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 138 E 8.05 3.61 0.00 2.06 1.94 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 1.47 2.01 0.00 139 Y 8.11 3.93 0.00 3.36 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 0.00 140 D 8.67 4.39 0.00 2.84 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 0.00 141 D 8.19 4.40 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 0.00 142 F 7.90 4.58 0.00 3.08 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 0.00 143 W 8.16 3.93 0.00 3.36 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 0.00 144 D 8.33 5.30 0.00 2.94 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 0.00 145 E 8.71 3.95 0.00 2.21 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 2.35 2.41 0.00 146 D 8.44 4.40 0.00 2.84 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 0.00 147 G 8.16 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 0.00 0.00 0.00 148 E 8.55 4.04 0.00 2.23 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 2.32 2.37 0.00 149 V 7.88 3.54 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 0.80 0.00 0.00 0.90 0.00 0.00 150 M 7.99 3.85 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 151 R 8.14 4.08 0.00 2.16 2.23 0.00 3.23 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 152 D 8.33 4.44 0.00 2.76 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 0.00 153 Y 8.12 4.31 0.00 3.03 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 0.00 154 R 7.99 3.75 0.00 2.14 2.23 0.00 3.25 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 155 L 8.00 3.99 0.00 2.02 1.74 0.96 1.04 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 0.00 156 R 8.20 3.98 0.00 2.02 2.12 0.00 3.47 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 1.76 1.92 0.00 157 V 7.92 3.53 1.93 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 0.95 0.00 0.00 0.70 0.00 0.00 158 S 8.20 4.03 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 0.00 159 D 8.07 4.28 0.00 2.72 2.88 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 0.00 160 A 7.94 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.12 3.91 0.00 1.94 1.69 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.81 4.15 0.00 4.02 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 0.00 163 K 7.61 4.28 0.00 1.73 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.57 7.81 164 L 7.12 4.02 0.00 1.61 1.38 0.76 0.89 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 0.00 165 T 7.63 4.00 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 1.09 0.00 0.00 166 P 0.00 4.06 0.00 2.15 2.04 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 167 W 8.42 4.50 0.00 3.40 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 0.00 168 K 8.80 4.57 0.00 2.08 1.94 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.77 7.81 169 A 8.59 4.27 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 0.00 170 P 0.00 2.97 0.00 1.80 0.63 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 171 P 0.00 4.36 0.00 2.23 2.09 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 172 P 0.00 4.44 0.00 2.14 2.05 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 173 I 7.59 4.59 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.52 0.93 0.00 0.00 174 A 7.81 4.13 1.21 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.