NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9952 8.3393 109.7398 44.7473 0.0000 174.0497 5 K 4.5169 7.6295 117.1773 52.9762 35.5581 173.2628 6 P 4.6921 0.0000 0.0000 63.3797 33.8997 176.4007 7 I 4.8986 8.4607 121.7410 59.6248 40.6688 174.2984 8 L 4.9138 8.8171 130.4083 53.8165 43.5601 174.9532 9 Y 5.1267 9.0709 125.4474 57.2655 39.0888 174.8491 10 S 5.0408 8.7404 117.6620 56.9262 67.2386 171.5283 11 Y 5.5358 8.4553 123.2099 55.5600 41.2249 176.2129 12 F 4.0652 9.3545 122.3484 59.5284 37.9152 176.2515 13 R 3.6487 5.8400 118.5213 56.4876 30.3784 176.3167 14 S 4.2965 7.5159 113.3077 58.4920 63.1773 174.5042 15 S 4.3699 8.8609 125.4472 61.8746 62.7288 176.1746 16 C 4.2141 8.1491 119.8356 62.8173 27.9262 176.0362 17 S 4.3191 8.4553 116.9057 61.2448 62.3249 176.5866 18 W 4.3795 8.2085 131.1534 60.4785 30.4760 177.9095 19 R 3.7997 7.9884 118.0223 59.7109 29.5170 179.1514 20 V 3.6094 7.4972 116.0909 65.9368 31.5055 178.3075 21 R 3.8274 8.0743 118.0280 59.0969 29.7963 179.1302 22 I 3.5644 8.1751 120.0396 64.2497 37.0834 178.3651 23 A 3.9005 7.9658 121.5572 54.6718 18.1253 179.8661 24 L 3.8178 8.0652 117.7877 57.9716 41.8119 179.3426 25 A 4.0792 7.9081 120.6793 55.1234 18.0437 179.4519 26 L 3.8806 7.8320 118.0197 58.1272 42.2870 178.6672 27 K 4.3414 7.7006 114.3783 55.9065 31.8800 177.2817 28 G 3.9680 7.5773 106.5639 46.3162 0.0000 173.7098 29 I 4.0854 7.6742 120.7200 60.0887 37.6324 175.3539 30 D 4.6445 8.6702 125.8744 54.0240 41.8063 174.4573 31 Y 5.1238 8.0426 122.9948 55.4888 41.9483 173.4600 32 E 4.5732 9.1131 120.6016 54.5424 32.1850 174.3540 33 I 4.8389 8.1971 126.8295 59.7340 39.4180 175.1090 34 V 4.2432 8.2674 128.0893 60.3787 32.6977 173.2303 35 P 5.2068 0.0000 0.0000 61.7925 32.6290 177.0931 36 I 4.7917 8.4539 123.1652 61.2113 39.6448 178.6632 *58 Q 4.0706 8.9272 129.9074 56.9401 28.9973 174.5797 59 V 4.6486 8.1094 115.3974 58.4084 35.1656 173.6198 60 P 4.9297 0.0000 0.0000 62.8517 32.3744 175.2903 61 A 5.0171 8.7109 122.1900 50.1760 22.8652 174.8484 62 L 5.1098 8.6884 122.2041 53.3654 45.7922 175.2612 63 K 5.0042 9.1187 126.7281 55.3425 33.7267 175.5906 64 I 4.5833 8.8616 124.7570 60.4656 42.0475 174.2050 65 D 4.1650 9.8142 127.6201 55.6062 38.3345 174.6871 66 G 3.9320 8.5916 103.9186 45.7239 0.0000 173.3952 67 I 4.6629 7.6340 112.5183 58.9844 40.7752 173.8480 68 T 5.0266 8.2441 116.4218 61.7614 71.0308 173.9099 69 I 4.4367 8.5672 126.5598 59.6634 40.2102 175.5564 70 V 4.4948 8.4175 119.9195 60.6654 34.5591 172.0248 71 Q 3.7457 8.7351 127.2737 55.3426 26.3787 174.7975 72 S 4.1422 8.7162 118.4243 61.3298 63.2831 176.7039 73 L 4.0965 8.0558 119.8605 57.6036 41.7247 178.5783 74 A 4.2311 7.9788 120.1592 55.2565 18.2502 179.8687 75 I 3.4380 7.6792 114.2258 62.8929 37.1460 177.7178 *77 E 4.2452 8.1182 121.9917 56.6581 31.7308 177.7308 78 Y 3.9799 8.1300 119.3621 60.6181 38.8360 177.6222 79 L 3.9745 8.2399 120.1186 57.9363 41.9020 179.0568 80 E 3.9048 8.1809 118.5038 59.5639 29.3049 178.6078 81 E 3.9938 7.8504 117.0757 58.7195 29.6334 178.4207 82 T 4.3377 7.5481 108.2418 61.5458 70.6669 175.1460 83 R 4.5095 8.0462 121.0584 52.9512 31.0534 173.7494 84 P 4.7420 0.0000 0.0000 64.0704 31.9419 176.6329 85 I 4.6251 6.7310 114.4814 58.6631 39.0204 174.0070 86 P 4.4595 0.0000 0.0000 62.0898 31.9591 176.3948 87 R 4.4782 8.1703 119.8291 55.6270 30.2145 177.1198 88 L 4.1746 9.4571 123.8961 56.2356 42.1425 176.9240 89 L 4.9025 7.5670 118.5021 51.6838 43.9028 174.7602 90 P 4.5302 0.0000 0.0000 62.7890 32.0522 175.8921 91 Q 4.1171 8.3963 116.1119 58.1190 29.3203 176.8430 92 D 4.4309 7.9360 117.9747 53.3908 42.0598 174.5047 93 P 4.2202 0.0000 0.0000 66.1996 31.0758 178.5569 94 Q 4.0117 7.9816 116.0864 58.7947 28.7521 178.6087 95 K 3.9953 7.9748 119.0710 59.5586 32.1691 179.3401 96 R 3.9244 8.2301 118.1723 59.2906 29.7181 179.0087 97 A 4.0174 7.8419 119.7501 55.1669 18.4315 179.4823 98 I 3.8219 7.3182 117.4580 64.3580 37.4388 178.5405 99 V 3.7962 7.8001 119.2410 65.7447 31.3223 178.9374 100 R 3.9156 8.0143 117.2264 56.3368 29.9829 178.9069 *102 I 4.0631 7.7518 120.7217 61.6733 38.9275 178.2352 103 S 4.1203 8.0083 116.1792 62.0272 62.6016 176.7514 104 D 4.4304 8.3558 121.4191 56.8937 40.6007 178.4201 105 L 3.9261 7.9387 120.6171 58.3192 42.0096 178.9999 106 I 3.6974 7.8488 119.2702 64.5340 36.9722 178.4297 107 A 4.0381 8.4564 120.8374 54.4396 18.3141 178.8447 108 S 4.6881 8.6718 112.0358 58.6073 64.2405 175.6931 109 G 3.9282 7.9230 106.0814 46.2341 0.0000 175.1457 110 I 3.9653 7.4281 122.1569 63.4596 37.6476 178.2149 111 Q 3.9647 8.0966 120.2882 58.8396 28.8237 176.4743 112 P 4.6446 0.0000 0.0000 64.7160 31.1794 177.6470 113 L 4.6785 7.3973 114.5805 55.1574 41.6708 176.8979 114 Q 4.6592 7.8132 116.9729 55.0509 29.0766 175.9399 115 N 4.6008 7.9525 115.8567 53.9141 40.4605 175.3241 116 L 4.0626 8.5791 123.9640 58.1512 41.8881 179.5590 117 S 4.1271 7.9914 113.3702 61.5390 62.7489 176.3042 118 V 3.7195 7.7160 121.6683 65.3153 31.0827 177.9346 119 L 3.9108 7.8517 118.2934 57.9210 41.4339 179.5704 120 K 4.1710 7.6906 116.4321 58.3091 31.9969 177.4120 121 Q 4.4317 7.1817 119.2494 55.6975 29.3142 176.6760 122 V 4.2428 7.4152 113.4477 61.1299 31.8714 173.5465 123 G 3.9967 8.0807 108.2998 45.5022 0.0000 171.8462 124 Q 4.7341 7.8182 115.3686 55.1434 29.7569 175.2052 125 E 5.1589 8.0506 120.6274 58.0816 35.9523 176.1628 126 N 4.5146 8.1408 116.5305 56.2565 38.8351 177.0100 127 Q 3.8270 8.2756 113.5694 57.3973 28.7054 178.3797 *129 Q 4.2551 8.1864 117.8121 56.4666 30.8790 177.2622 130 W 4.2394 8.3287 126.7336 60.5935 30.6188 177.7554 131 A 3.5086 7.7474 120.3499 55.1280 17.5983 179.6969 132 Q 3.8015 7.7376 116.0457 58.6914 28.8889 178.5315 133 K 3.8783 7.7638 122.1038 58.7390 32.2294 179.0273 134 V 3.1528 7.0012 118.3904 66.0574 31.3615 178.1745 135 I 3.2847 7.4229 119.7334 64.0806 36.5336 178.6202 136 T 3.9056 7.7137 112.1529 64.3363 68.5068 176.7050 137 S 4.2682 8.0795 118.4854 61.2180 62.8935 177.0275 138 G 3.6107 7.9103 108.1815 47.9701 0.0000 175.7852 139 F 4.3931 8.3401 120.1582 59.8918 38.2250 177.6649 140 N 4.6031 8.6716 116.8625 56.1392 38.3580 177.3177 141 A 3.8649 7.7444 122.2870 55.1551 18.5254 179.5297 142 L 3.8725 8.3603 119.3911 58.1792 41.8309 178.6117 143 E 3.8845 8.2547 119.3246 59.3053 29.2949 179.0721 144 K 4.0440 7.4604 117.4217 59.3368 32.4280 179.0902 145 I 3.8536 7.7209 120.1047 64.4370 37.0683 178.5046 146 L 4.4064 8.1106 120.8923 56.9313 41.1485 179.3527 147 Q 4.0335 7.5154 117.3424 58.7089 28.6083 178.3288 148 S 4.4500 7.8671 115.2528 60.2959 63.7779 175.7708 149 T 4.2663 7.6041 110.9190 61.9218 69.6523 174.6957 150 A 4.9577 7.0630 124.0089 51.0394 20.7743 174.6960 151 G 3.8135 8.6746 109.2332 45.7329 0.0000 175.9109 152 K 3.7859 6.2526 126.0888 57.7194 32.9166 174.2756 153 Y 4.9873 7.3939 115.2858 56.0539 41.5762 175.3897 154 C 3.9921 9.0492 117.5736 62.7968 28.0793 174.5504 155 V 4.3279 7.2419 118.8991 61.2707 32.4918 176.0184 156 G 3.8421 8.6763 118.6289 45.5572 0.0000 172.2331 157 D 4.7631 8.7270 121.1334 54.1199 41.4847 175.7346 158 E 4.7864 7.8626 119.1199 53.8730 31.8384 176.0110 159 V 3.5874 8.1315 122.9418 63.3817 33.7565 173.0040 160 S 4.8798 9.9172 117.3912 57.9269 63.0074 175.6053 *162 A 4.3369 9.2286 121.0136 52.0630 20.7908 179.9984 163 D 4.3321 7.5257 115.9561 57.4287 40.5083 179.2238 164 V 3.6990 7.3961 118.2923 66.0859 31.9397 177.5479 165 C 4.2643 7.9343 116.0064 62.0062 28.0359 175.6809 166 L 3.9298 7.6990 122.2096 58.0444 41.8072 178.8609 167 V 3.4207 7.2734 117.9092 65.7782 31.5199 176.3484 168 P 4.4335 0.0000 0.0000 65.3208 31.1239 178.5000 169 Q 4.0576 7.7499 117.8154 59.2042 29.0550 178.2272 170 V 3.9200 8.2964 119.3965 65.9931 31.5816 177.8922 171 A 4.1759 8.3792 120.7627 54.9900 18.2089 179.2752 172 N 4.3466 8.2913 114.4509 56.5119 38.7159 177.2439 173 A 4.0729 8.1598 122.0238 55.4955 18.5946 179.4905 174 E 4.0579 8.2989 116.9224 59.6341 29.2790 179.6824 175 R 3.8540 7.6503 117.4392 58.8057 30.1215 177.5545 176 F 4.6904 7.9579 115.0689 56.4006 39.2796 175.6709 177 K 3.9044 7.7776 115.9718 57.3997 29.8007 176.1327 178 V 3.8130 8.3093 118.8735 62.6447 32.0643 174.6499 179 D 4.7038 8.6749 126.7664 53.7242 42.0751 175.7447 180 L 4.8906 8.4772 124.9196 54.7215 42.3895 178.4444 181 S 4.1324 8.2717 114.9813 60.5182 62.8930 173.5635 182 P 4.2820 0.0000 0.0000 63.5062 31.8990 175.7070 183 Y 5.0483 7.5631 116.9378 55.7832 38.1994 174.3891 184 P 4.4190 0.0000 0.0000 65.9317 32.1051 179.0041 185 T 3.8514 8.1465 115.1908 66.5379 68.3722 176.7486 186 I 3.5949 7.8821 121.5504 64.5424 37.1822 178.7799 187 S 4.1586 8.2440 115.9688 61.4605 62.5713 176.3534 188 H 4.1175 8.2038 121.0720 59.3346 29.7243 177.3225 189 I 3.6534 7.6931 121.6610 64.3291 36.8992 177.8194 190 N 4.1528 8.2177 117.8140 56.8297 38.5724 177.0850 191 K 4.1045 7.7779 117.9747 59.0268 32.5505 178.9492 192 E 4.1400 8.3420 119.3860 59.3447 29.2995 179.3257 193 L 3.8527 7.8883 119.0153 57.5364 41.4722 179.3156 194 L 4.1700 7.6356 116.9694 56.8544 41.6169 178.6869 195 A 4.2100 7.4636 118.8793 52.8648 19.2174 177.4205 196 L 4.4462 7.6801 118.6714 53.6796 43.0855 177.2852 197 E 4.0141 9.1526 123.2382 60.0406 29.1840 179.9067 198 V 3.6624 7.8401 110.1956 63.7918 31.7122 177.5749 199 F 4.5733 8.1092 115.4830 58.6887 39.3606 177.3486 200 Q 4.5038 7.9709 117.6364 58.3193 29.0898 178.2017 201 V 3.7866 8.0532 111.7884 63.4735 31.7226 177.0815 202 S 4.7254 8.0207 112.4233 57.9297 63.5200 173.6273 203 H 3.2829 7.9949 122.4220 55.3092 30.0492 174.2827 204 P 3.9394 0.0000 0.0000 65.4828 31.1600 177.1373 205 R 4.3883 7.8755 113.8733 56.1799 30.3750 176.3553 206 R 4.6282 7.9249 117.8214 56.1072 31.3820 175.3149 207 Q 4.7028 7.5626 115.1751 53.2746 31.5143 175.4982 208 P 4.1911 0.0000 0.0000 65.5867 31.4124 177.2601 209 D 4.7060 7.8713 114.4753 53.2045 39.6262 176.1318 210 T 3.1191 7.2287 117.4163 62.5750 68.8755 172.8187 211 P 4.0832 0.0000 0.0000 62.3269 31.9234 177.3077 212 A 3.9714 8.5885 125.8946 54.9098 18.4580 177.2868 213 E 4.5133 7.8214 112.5389 57.0755 30.2771 176.6348 214 L 4.5391 7.8020 118.3176 56.3707 43.6551 177.8746 *215 R 4.0735 7.9104 122.8577 56.4447 30.0269 179.4442 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 4 G 8.34 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 5 K 7.63 4.52 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.54 7.81 6 P 0.00 4.69 0.00 2.19 2.15 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 7 I 8.46 4.90 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.99 0.52 0.00 0.00 8 L 8.82 4.91 0.00 1.70 1.70 0.98 0.67 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 9 Y 9.07 5.13 0.00 3.05 2.96 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 10 S 8.74 5.04 0.00 3.95 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 11 Y 8.46 5.54 0.00 3.04 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 12 F 9.35 4.07 0.00 3.11 3.31 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 13 R 5.84 3.65 0.00 0.67 1.39 0.00 3.14 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 14 S 7.52 4.30 0.00 4.18 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 15 S 8.86 4.37 0.00 4.21 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 0.00 16 C 8.15 4.21 0.00 3.05 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 17 S 8.46 4.32 0.00 4.10 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.21 4.38 0.00 3.35 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 19 R 7.99 3.80 0.00 2.17 1.97 0.00 3.19 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 20 V 7.50 3.61 2.19 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 1.01 0.00 0.00 0.98 0.00 0.00 21 R 8.07 3.83 0.00 2.33 2.17 0.00 3.39 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 22 I 8.18 3.56 1.72 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.62 -0.03 0.00 0.00 23 A 7.97 3.90 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 24 L 8.07 3.82 0.00 1.41 1.55 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.91 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.88 0.00 1.63 1.80 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.70 4.34 0.00 1.89 1.82 0.00 2.01 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.57 7.81 28 G 7.58 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.67 4.09 1.92 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 1.21 0.77 0.98 0.00 0.00 30 D 8.67 4.64 0.00 2.64 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 31 Y 8.04 5.12 0.00 2.94 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 32 E 9.11 4.57 0.00 2.03 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 0.00 2.15 2.20 0.00 33 I 8.20 4.84 1.84 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 1.48 0.61 0.96 0.00 0.00 34 V 8.27 4.24 1.32 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 0.93 0.00 0.00 0.70 0.00 0.00 35 P 0.00 5.21 0.00 2.23 2.11 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 36 I 8.45 4.79 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.90 0.00 0.00 *58 Q 8.93 4.07 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 59 V 8.11 4.65 2.19 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 0.87 0.00 0.00 1.02 0.00 0.00 60 P 0.00 4.93 0.00 2.11 2.11 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 61 A 8.71 5.02 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.69 5.11 0.00 1.74 1.45 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.12 5.00 0.00 1.83 1.79 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.66 7.81 64 I 8.86 4.58 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.84 0.00 0.00 65 D 9.81 4.16 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1.27 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.25 3.88 0.00 2.27 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 0.00 2.50 2.47 0.00 144 K 7.46 4.04 0.00 1.78 1.86 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.58 7.81 145 I 7.72 3.85 2.02 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 1.52 0.70 0.90 0.00 0.00 146 L 8.11 4.41 0.00 1.78 1.68 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.52 4.03 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 148 S 7.87 4.45 0.00 3.97 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 0.00 149 T 7.60 4.27 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 0.00 0.00 0.00 0.00 1.25 0.00 0.00 150 A 7.06 4.96 1.32 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 0.00 0.00 151 G 8.67 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 0.00 0.00 0.00 152 K 6.25 3.79 0.00 1.49 1.42 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.07 7.81 153 Y 7.39 4.99 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 C 9.05 3.99 0.00 2.98 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 0.00 155 V 7.24 4.33 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 0.82 0.00 0.00 0.93 0.00 0.00 156 G 8.68 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 0.00 157 D 8.73 4.76 0.00 2.71 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 0.00 158 E 7.86 4.79 0.00 1.95 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 2.22 2.34 0.00 159 V 8.13 3.59 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 0.76 0.00 0.00 0.19 0.00 0.00 160 S 9.92 4.88 0.00 4.08 3.51 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 *162 A 9.23 4.34 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 0.00 163 D 7.53 4.33 0.00 2.96 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 0.00 164 V 7.40 3.70 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 0.74 0.00 0.00 0.90 0.00 0.00 165 C 7.93 4.26 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.70 3.93 0.00 1.79 1.54 0.70 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.27 3.42 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 0.36 0.00 0.00 0.52 0.00 0.00 168 P 0.00 4.43 0.00 2.21 2.27 0.00 3.50 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.20 0.00 169 Q 7.75 4.06 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 170 V 8.30 3.92 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 1.10 0.00 0.00 0.83 0.00 0.00 171 A 8.38 4.18 1.70 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 0.00 0.00 172 N 8.29 4.35 0.00 3.13 3.21 0.00 0.00 6.86 6.67 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 0.00 173 A 8.16 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.30 4.06 0.00 2.37 2.07 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 2.39 2.40 0.00 175 R 7.65 3.85 0.00 1.95 1.51 0.00 3.14 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.00 176 F 7.96 4.69 0.00 3.05 3.01 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 0.00 0.00 0.00 177 K 7.78 3.90 0.00 2.01 1.96 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.38 7.81 178 V 8.31 3.81 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 0.86 0.00 0.00 0.92 0.00 0.00 179 D 8.67 4.70 0.00 2.69 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 0.00 180 L 8.48 4.89 0.00 1.84 1.81 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.27 4.13 0.00 3.97 4.01 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 0.00 0.00 0.00 182 P 0.00 4.28 0.00 1.14 1.85 0.00 3.23 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.85 0.00 183 Y 7.56 5.05 0.00 3.09 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 0.00 184 P 0.00 4.42 0.00 2.27 2.30 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 185 T 8.15 3.85 4.39 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 1.17 0.00 0.00 186 I 7.88 3.59 1.84 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.44 0.00 0.00 187 S 8.24 4.16 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 0.00 188 H 8.20 4.12 0.00 3.37 3.20 0.00 5.59 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 0.00 189 I 7.69 3.65 1.82 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 1.34 0.52 0.95 0.00 0.00 190 N 8.22 4.15 0.00 2.77 2.98 0.00 0.00 7.26 5.82 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 0.00 191 K 7.78 4.10 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.61 7.81 192 E 8.34 4.14 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 193 L 7.89 3.85 0.00 1.34 0.15 0.82 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.64 4.17 0.00 1.66 1.83 1.05 1.17 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 0.00 195 A 7.46 4.21 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 0.00 196 L 7.68 4.45 0.00 2.19 1.77 1.02 0.69 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 0.00 197 E 9.15 4.01 0.00 2.08 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 0.00 2.42 2.48 0.00 198 V 7.84 3.66 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 0.84 0.00 0.00 0.76 0.00 0.00 199 F 8.11 4.57 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 0.00 200 Q 7.97 4.50 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.82 0.00 201 V 8.05 3.79 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 0.76 0.00 0.00 1.04 0.00 0.00 202 S 8.02 4.73 0.00 4.37 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 0.00 203 H 7.99 3.28 0.00 3.41 3.06 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 3.94 0.00 1.82 2.14 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 205 R 7.88 4.39 0.00 1.65 1.86 0.00 3.08 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 206 R 7.92 4.63 0.00 1.68 1.84 0.00 3.09 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 207 Q 7.56 4.70 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 208 P 0.00 4.19 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 209 D 7.87 4.71 0.00 2.91 2.83 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 0.00 210 T 7.23 3.12 4.20 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 1.01 0.00 0.00 211 P 0.00 4.08 0.00 1.99 1.85 0.00 2.68 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 212 A 8.59 3.97 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 0.00 213 E 7.82 4.51 0.00 2.06 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 2.21 2.25 0.00 214 L 7.80 4.54 0.00 1.68 1.58 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *215 R 7.91 4.07 0.00 1.52 1.68 0.00 3.14 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.