NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 61 A 4.3221 8.2649 123.5816 51.9233 20.6926 177.7601 62 K 3.9649 7.8346 113.8596 55.2752 32.6416 174.3877 63 P 4.4107 0.0000 0.0000 62.5008 32.9096 175.3933 64 Q 4.6390 8.3570 121.9971 54.2060 31.8149 174.5417 65 I 4.3372 8.0460 123.7600 58.9621 38.2491 174.0611 66 P 4.2682 0.0000 0.0000 63.1201 31.7004 176.4397 67 K 3.9967 8.5891 122.7070 58.7538 32.6512 176.2217 68 D 4.5582 7.9757 118.7547 53.1927 40.4074 176.4974 69 K 3.9816 8.7866 127.6697 58.7674 32.2043 177.9458 70 S 4.6181 8.9503 112.2169 58.2537 63.7239 174.1990 71 K 4.5095 8.1284 121.7986 54.7719 33.2072 176.5119 72 V 3.0536 8.1884 122.7710 62.8410 31.7530 175.5721 73 A 4.3201 8.6262 130.0673 54.1841 19.4233 176.6604 74 G 4.0738 7.1080 99.9281 46.5658 0.0000 171.5349 75 Y 4.9426 8.5851 116.8816 56.0434 41.7403 174.8775 76 I 5.2368 8.8173 124.1688 59.3685 41.1445 174.0045 77 E 5.2559 9.7469 127.9449 55.0768 34.0334 175.0704 78 I 4.7881 9.1084 124.1333 58.6199 38.7380 173.6773 79 P 4.2932 0.0000 0.0000 65.7166 31.6454 178.6725 80 D 4.3725 8.2439 115.5549 56.4421 40.8167 176.8349 81 A 4.5408 7.9144 119.5248 51.0131 19.4171 175.7457 82 D 4.4359 7.7952 115.0028 55.8475 39.1563 173.5600 83 I 4.4775 7.6197 118.7729 59.5593 39.6497 175.3016 84 K 5.0244 8.5883 127.8792 55.1504 34.6286 174.9142 85 E 4.4584 9.3797 127.2832 53.6302 33.7638 173.6872 86 P 3.6804 0.0000 0.0000 62.2215 32.3112 175.7173 87 V 4.2565 9.2944 124.6857 61.5790 33.5744 174.5324 88 Y 4.9193 8.7125 125.1220 55.4004 41.0197 173.4585 89 P 4.9844 0.0000 0.0000 63.1970 32.4110 176.8210 90 G 4.5581 8.8009 109.3419 43.5611 0.0000 171.1306 91 P 4.8009 0.0000 0.0000 62.7958 32.4772 176.8987 92 A 4.5478 8.5741 123.3533 51.0190 17.8504 176.9227 93 T 4.3167 8.0194 110.9007 59.1142 72.1348 174.2224 94 P 4.3871 0.0000 0.0000 65.9314 30.9714 178.4330 95 E 3.8825 8.0092 117.2311 59.3948 29.5281 178.7496 96 Q 3.8743 7.6784 117.2803 58.9748 28.6498 178.5674 97 L 4.8096 7.7664 118.9390 56.2182 41.7077 178.4543 98 N 4.5034 7.8321 117.0815 56.2303 38.9174 176.8615 99 R 3.9402 7.3921 119.0854 57.7705 30.6968 176.5062 100 G 3.8394 7.5781 104.6836 45.2390 0.0000 171.6683 101 V 3.6217 7.2865 118.4145 63.7124 32.4997 175.7199 102 S 4.9171 8.5529 121.0068 56.6543 67.9724 173.4910 103 F 4.5717 8.3874 120.7350 57.8333 39.4060 176.6072 104 A 4.1428 9.0797 124.9698 54.2153 19.0917 177.4767 105 E 4.9656 8.1164 113.3604 54.3155 32.6932 176.7357 106 E 4.0745 8.7535 121.9604 58.8765 29.9910 177.6331 107 N 4.5381 8.1612 114.4791 54.4462 39.2020 174.6539 108 E 3.7747 7.2241 117.9922 55.9247 30.5806 176.1695 109 S 4.5551 8.2132 117.9729 56.3443 65.2269 174.3768 110 L 4.2757 8.6105 125.0640 56.1214 41.1865 177.0081 111 D 4.9144 7.5642 117.5200 53.8983 41.8091 176.2849 112 D 4.5994 7.8306 119.5959 54.1393 41.5127 176.3075 113 Q 4.2042 8.6264 122.2656 58.3313 30.4374 175.0015 114 N 5.3795 8.1061 116.8992 51.6788 41.7161 173.4604 115 I 4.6774 8.3318 126.6665 59.7225 40.0436 174.6208 116 S 5.3097 9.5826 123.8099 56.9855 65.3472 173.3634 117 I 4.9525 8.7959 124.3445 59.4422 40.9031 174.1642 118 A 5.2492 9.2567 128.6938 50.2261 22.0554 175.3338 119 G 3.5772 8.9125 106.8965 44.3587 0.0000 171.9649 120 H 4.8207 8.1729 117.0185 55.4040 30.3459 175.0244 121 T 4.5405 8.5179 117.1484 61.6333 68.9354 172.9041 122 F 5.0765 9.0646 128.5994 56.2489 38.8382 174.8314 123 I 4.1860 7.8220 127.0216 60.0476 35.6709 174.5311 124 D 4.5692 7.2251 118.4016 53.9066 46.0624 176.1271 125 R 4.3965 7.7523 118.0940 52.5872 30.8298 173.4857 126 P 4.2624 0.0000 0.0000 65.1129 31.6580 177.0126 127 N 4.9263 7.9866 113.1660 52.9747 39.2523 173.4543 128 Y 4.5636 8.5576 121.2048 57.8038 40.7388 175.6700 129 Q 2.7949 7.7029 126.4552 57.4426 28.7416 174.3672 130 F 5.0534 7.9918 124.5820 58.6758 38.8895 177.6930 131 T 3.9216 8.1013 120.9536 66.3942 68.3708 174.8378 132 N 4.7613 7.9867 117.3197 53.0219 39.2918 175.8164 133 L 3.6106 7.5349 121.0239 57.8195 42.0473 179.1640 134 K 4.2255 7.9465 116.1566 59.1342 32.5282 177.4049 135 A 4.0515 8.0051 121.3678 53.0301 18.5174 176.8435 136 A 4.3854 7.7654 120.0374 50.5615 19.4332 177.5783 137 K 4.4211 8.2052 122.7863 54.7223 34.1369 176.0326 138 K 4.1036 8.2999 120.7135 58.4291 32.2721 176.4101 139 G 4.1441 8.9053 113.5637 45.6905 0.0000 175.6813 140 S 4.4775 7.6166 113.7653 58.0150 62.3562 173.0081 *142 V 3.9791 8.2133 122.2312 64.0268 33.0526 174.8376 143 Y 5.3611 9.2939 125.2292 56.2131 41.0908 174.3737 144 F 5.6874 9.8707 126.9618 56.6999 42.0029 173.5784 145 K 4.8129 9.2725 127.2124 54.5716 33.6078 177.7248 146 V 4.1959 7.8139 118.2412 59.7167 31.3401 173.3769 147 G 3.9127 7.4101 111.7416 45.3250 0.0000 172.4872 148 N 4.6279 7.7784 120.1090 52.6445 38.8790 174.9807 149 E 4.6147 7.6894 115.7936 54.9313 32.7071 174.0041 150 T 4.8483 8.3135 116.4103 62.1357 70.3761 173.8476 151 R 4.4315 9.1719 127.0064 54.9609 32.1853 175.9632 152 K 5.0610 8.1976 121.6872 55.0037 35.1929 174.7124 153 Y 5.2758 8.7133 120.1103 55.5404 42.6562 176.9897 154 K 5.0734 9.2172 120.0702 56.4200 35.4535 178.2971 *156 T 4.0565 8.3352 120.3100 62.7933 69.3050 173.0820 157 S 4.3227 8.5097 115.2580 61.0131 63.4290 175.4064 158 I 4.0915 7.3015 123.0560 60.1189 34.9209 174.1901 159 R 4.4511 7.1772 118.3248 55.0738 32.5326 175.1126 160 D 3.4448 6.0500 118.6163 55.2007 40.2215 173.3834 161 V 4.2981 6.8231 115.3355 60.0209 33.9026 174.6288 162 K 4.2494 8.2925 125.2208 55.5759 32.6833 174.6661 163 P 4.1581 0.0000 0.0000 63.9772 31.3133 176.2333 164 T 3.8867 8.5181 109.9251 61.6037 68.3577 172.4780 165 D 4.6080 8.4316 120.5242 55.8686 41.2718 177.1508 166 V 4.5061 7.5457 113.6387 62.1239 35.3426 175.2475 167 G 4.2192 7.8181 111.0656 44.8111 0.0000 173.7327 168 V 4.2545 8.5579 116.7156 62.6791 35.2967 174.9373 169 L 4.7207 7.4745 121.6026 53.2312 42.8468 175.4417 *173 K 3.9538 8.4360 122.9814 58.3811 32.9884 176.2528 174 G 4.4849 8.8189 111.5463 46.3108 0.0000 172.8660 175 K 4.6604 7.2627 118.0711 53.3806 35.2446 175.3449 176 D 4.4351 8.7125 121.7867 54.7387 41.3741 177.2036 177 K 4.4487 8.7306 122.5598 57.1735 33.4187 175.8177 178 Q 5.1283 9.8569 121.8620 54.5953 33.1764 173.1766 179 L 4.8383 8.6428 120.3451 53.4174 45.4466 175.1258 180 T 4.8398 8.9139 123.1100 61.9400 70.7822 173.0283 181 L 4.8794 8.9007 128.0557 53.5968 43.7482 176.0919 182 I 5.2959 9.2314 124.4995 59.7019 40.5523 174.6120 183 T 4.9850 8.8558 117.5469 60.7887 70.4982 173.7307 184 A 5.1501 8.8810 126.1746 50.5029 22.8564 174.2434 185 D 4.6574 9.3047 119.2422 53.5774 45.7504 173.9199 186 D 4.7770 8.7601 117.9631 55.4035 37.5719 173.7316 187 Y 3.9326 7.4466 120.7654 57.1336 39.9734 173.6270 188 N 4.6429 7.5549 125.5726 51.3584 39.7707 174.7890 189 E 3.7623 8.3595 126.4205 59.1826 29.8496 179.1079 190 K 4.0652 7.8984 117.7693 58.6012 32.1385 177.8065 191 T 4.2763 7.7266 106.1956 60.3509 70.2808 174.1428 192 G 3.9072 7.9910 110.4311 45.7778 0.0000 173.4877 193 V 4.5430 6.8414 117.3885 60.3420 35.4603 174.0254 194 W 4.6885 8.9573 126.9112 56.2631 29.1079 176.3444 195 E 4.1893 9.4476 126.1183 58.3074 30.1050 177.1233 196 K 4.6280 8.5524 119.8743 54.8199 33.8258 176.0181 197 R 5.8037 8.4633 123.0205 53.4394 34.4478 174.9222 198 K 4.8284 8.6632 120.8796 54.7393 36.0050 175.1546 199 I 4.9775 8.5757 124.8732 59.8036 40.1221 174.9997 200 F 4.8869 9.0766 123.7417 56.0363 42.6631 173.6215 201 V 4.8239 8.8220 124.7917 61.0413 33.0152 174.7979 202 A 5.0040 8.7682 129.0771 50.4532 22.1855 174.8244 203 T 4.8946 8.9194 118.0188 61.2523 71.3391 173.6980 204 E 3.6851 9.1215 126.8227 57.5954 29.7146 176.1941 205 V 3.9897 8.4467 125.7140 63.2739 31.7784 175.9996 206 K 4.1667 7.5475 124.6377 56.4645 32.5024 176.2157 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 61 A 8.26 4.32 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 62 K 7.83 3.96 0.00 1.84 1.76 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 63 P 0.00 4.41 0.00 2.03 2.11 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 64 Q 8.36 4.64 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 65 I 8.05 4.34 1.81 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.98 0.00 0.00 66 P 0.00 4.27 0.00 2.10 2.06 0.00 3.77 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 2.08 2.14 0.00 67 K 8.59 4.00 0.00 1.71 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 68 D 7.98 4.56 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.79 3.98 0.00 1.82 2.07 0.00 1.97 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 70 S 8.95 4.62 0.00 3.98 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 71 K 8.13 4.51 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 72 V 8.19 3.05 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 0.66 0.00 0.00 0.60 0.00 0.00 73 A 8.63 4.32 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 0.00 0.00 0.00 0.00 0.00 74 G 7.11 4.07 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 0.00 0.00 0.00 75 Y 8.59 4.94 0.00 2.89 2.91 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 76 I 8.82 5.24 1.93 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 1.25 0.93 0.98 0.00 0.00 77 E 9.75 5.26 0.00 2.17 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 2.42 2.50 0.00 78 I 9.11 4.79 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.81 0.00 0.00 79 P 0.00 4.29 0.00 2.29 2.22 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 80 D 8.24 4.37 0.00 2.66 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 81 A 7.91 4.54 1.20 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 0.00 0.00 82 D 7.80 4.44 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.62 4.48 1.85 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 1.39 0.86 1.01 0.00 0.00 84 K 8.59 5.02 0.00 1.79 1.75 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.85 7.81 85 E 9.38 4.46 0.00 1.66 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 2.15 2.24 0.00 86 P 0.00 3.68 0.00 1.68 1.79 0.00 3.44 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 87 V 9.29 4.26 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 0.20 0.00 0.00 0.89 0.00 0.00 88 Y 8.71 4.92 0.00 2.87 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 89 P 0.00 4.98 0.00 2.07 2.13 0.00 4.09 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 2.33 2.25 0.00 90 G 8.80 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.80 0.00 2.17 2.15 0.00 3.81 0.00 0.00 3.71 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 92 A 8.57 4.55 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 93 T 8.02 4.32 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 1.19 0.00 0.00 94 P 0.00 4.39 0.00 2.03 2.12 0.00 2.89 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 1.70 1.45 0.00 95 E 8.01 3.88 0.00 1.99 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 2.32 2.35 0.00 96 Q 7.68 3.87 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.83 0.00 97 L 7.77 4.81 0.00 1.61 1.55 0.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.83 4.50 0.00 2.94 2.95 0.00 0.00 7.19 7.22 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 99 R 7.39 3.94 0.00 0.92 0.75 0.00 2.89 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 100 G 7.58 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 0.00 101 V 7.29 3.62 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.05 0.00 0.00 102 S 8.55 4.92 0.00 3.69 3.93 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 0.00 103 F 8.39 4.57 0.00 3.26 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 0.00 104 A 9.08 4.14 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 0.00 105 E 8.12 4.97 0.00 2.04 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 2.33 2.31 0.00 106 E 8.75 4.07 0.00 1.97 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 2.31 2.36 0.00 107 N 8.16 4.54 0.00 2.74 2.86 0.00 0.00 6.82 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 0.00 108 E 7.22 3.77 0.00 1.96 1.60 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 1.99 2.01 0.00 109 S 8.21 4.56 0.00 3.79 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 0.00 110 L 8.61 4.28 0.00 1.66 1.74 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.56 4.91 0.00 2.58 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 0.00 112 D 7.83 4.60 0.00 2.83 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 0.00 113 Q 8.63 4.20 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 114 N 8.11 5.38 0.00 2.71 2.65 0.00 0.00 6.82 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 0.00 115 I 8.33 4.68 1.82 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.97 0.00 0.00 116 S 9.58 5.31 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.80 4.95 1.79 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.67 0.75 0.00 0.00 118 A 9.26 5.25 0.97 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 0.00 119 G 8.91 3.58 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 0.00 0.00 0.00 120 H 8.17 4.82 0.00 3.12 3.34 0.00 6.03 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.52 4.54 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 122 F 9.06 5.08 0.00 3.03 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 0.00 123 I 7.82 4.19 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 1.40 0.93 0.97 0.00 0.00 124 D 7.23 4.57 0.00 1.58 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 0.00 0.00 0.00 125 R 7.75 4.40 0.00 1.63 1.79 0.00 3.05 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.00 126 P 0.00 4.26 0.00 2.03 2.16 0.00 3.60 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 2.02 2.12 0.00 127 N 7.99 4.93 0.00 2.72 2.83 0.00 0.00 6.80 7.46 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 0.00 128 Y 8.56 4.56 0.00 3.03 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 0.00 129 Q 7.70 2.79 0.00 1.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.24 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 130 F 7.99 5.05 0.00 3.05 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 0.00 131 T 8.10 3.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 132 N 7.99 4.76 0.00 3.02 2.75 0.00 0.00 6.84 6.66 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 0.00 133 L 7.53 3.61 0.00 1.44 1.01 0.30 -0.81 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 0.00 134 K 7.95 4.23 0.00 2.02 2.09 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.44 7.81 135 A 8.01 4.05 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 0.00 136 A 7.77 4.39 1.22 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 0.00 0.00 137 K 8.21 4.42 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.37 7.81 138 K 8.30 4.10 0.00 1.71 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 139 G 8.91 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 0.00 140 S 7.62 4.48 0.00 3.98 3.74 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 *142 V 8.21 3.98 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 0.98 0.00 0.00 0.83 0.00 0.00 143 Y 9.29 5.36 0.00 3.05 2.92 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 0.00 144 F 9.87 5.69 0.00 3.18 3.33 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 0.00 145 K 9.27 4.81 0.00 1.78 1.68 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 146 V 7.81 4.20 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 -0.08 0.00 0.00 0.79 0.00 0.00 147 G 7.41 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 0.00 148 N 7.78 4.63 0.00 2.82 2.93 0.00 0.00 5.75 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 0.00 149 E 7.69 4.61 0.00 2.08 2.00 0.00 0.00 0.00 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 2.27 0.00 150 T 8.31 4.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 151 R 9.17 4.43 0.00 2.00 1.55 0.00 3.47 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 152 K 8.20 5.06 0.00 1.51 1.53 0.00 1.92 0.00 0.00 1.98 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.38 7.81 153 Y 8.71 5.28 0.00 2.65 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 0.00 154 K 9.22 5.07 0.00 1.68 1.05 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.16 7.81 *156 T 8.34 4.06 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 1.27 0.00 0.00 157 S 8.51 4.32 0.00 3.87 3.93 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 0.00 158 I 7.30 4.09 1.83 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 1.33 0.95 0.85 0.00 0.00 159 R 7.18 4.45 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 160 D 6.05 3.44 0.00 2.49 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.82 4.30 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 0.98 0.00 0.00 0.82 0.00 0.00 162 K 8.29 4.25 0.00 1.80 1.72 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.40 7.81 163 P 0.00 4.16 0.00 2.19 2.02 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 164 T 8.52 3.89 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 1.26 0.00 0.00 165 D 8.43 4.61 0.00 2.64 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 0.00 166 V 7.55 4.51 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 0.73 0.00 0.00 0.91 0.00 0.00 167 G 7.82 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.56 4.25 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 0.78 0.00 0.00 0.93 0.00 0.00 169 L 7.47 4.72 0.00 1.60 1.49 0.92 0.84 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 *173 K 8.44 3.95 0.00 1.82 1.72 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 174 G 8.82 4.48 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 0.00 175 K 7.26 4.66 0.00 1.64 1.66 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 176 D 8.71 4.44 0.00 2.73 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 0.00 177 K 8.73 4.45 0.00 1.80 1.89 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.50 7.81 178 Q 9.86 5.13 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 179 L 8.64 4.84 0.00 0.86 1.04 0.45 0.25 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 0.00 180 T 8.91 4.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 181 L 8.90 4.88 0.00 1.31 1.08 0.45 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 182 I 9.23 5.30 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.91 0.00 0.00 183 T 8.86 4.98 4.33 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 1.38 0.00 0.00 184 A 8.88 5.15 0.31 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 0.00 185 D 9.30 4.66 0.00 2.92 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 0.00 186 D 8.76 4.78 0.00 3.21 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.45 3.93 0.00 1.43 2.28 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 0.00 188 N 7.55 4.64 0.00 2.48 2.41 0.00 0.00 7.01 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.36 3.76 0.00 1.89 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 2.41 2.31 0.00 190 K 7.90 4.07 0.00 1.89 1.79 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.30 7.81 191 T 7.73 4.28 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 1.13 0.00 0.00 192 G 7.99 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 0.00 193 V 6.84 4.54 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 1.16 0.00 0.00 0.91 0.00 0.00 194 W 8.96 4.69 0.00 3.30 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 9.45 4.19 0.00 1.94 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 2.32 2.38 0.00 196 K 8.55 4.63 0.00 1.95 1.82 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.47 7.81 197 R 8.46 5.80 0.00 1.69 1.81 0.00 3.50 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 198 K 8.66 4.83 0.00 1.83 1.63 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.70 7.81 199 I 8.58 4.98 1.78 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 1.35 0.96 0.89 0.00 0.00 200 F 9.08 4.89 0.00 2.88 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 0.00 201 V 8.82 4.82 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 0.72 0.00 0.00 0.93 0.00 0.00 202 A 8.77 5.00 1.13 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 0.00 0.00 203 T 8.92 4.89 4.28 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 1.26 0.00 0.00 204 E 9.12 3.69 0.00 2.18 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 2.28 2.21 0.00 205 V 8.45 3.99 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 0.78 0.00 0.00 0.90 0.00 0.00 206 K 7.55 4.17 0.00 1.70 1.62 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.