NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.4085 8.3301 116.7958 58.0378 64.6767 174.9554 58 A 3.8830 8.5169 125.0767 52.2212 18.3377 176.0983 59 P 4.6799 0.0000 0.0000 60.8561 33.2039 173.4560 60 G 3.7366 8.5577 114.1307 44.8025 0.0000 172.4542 61 D 4.4115 8.5276 129.1794 55.4072 38.2116 175.8126 62 F 4.9800 8.2597 117.4107 58.0902 39.9955 176.6396 63 G 3.7094 8.6637 113.2387 44.0959 0.0000 171.5251 64 F 4.3059 8.2114 113.0959 58.8856 39.1098 175.7951 65 D 4.2923 4.0000 125.8043 50.9142 42.2287 175.5179 66 P 4.1176 0.0000 0.0000 65.5993 31.2825 178.6269 67 L 3.8397 7.9390 119.2923 58.2553 40.5661 179.3662 68 G 3.3583 8.1110 108.0487 47.8916 0.0000 173.9694 69 L 4.2349 7.4098 118.5998 53.7265 44.2486 180.1128 70 G 4.3653 8.7912 110.3083 45.1889 0.0000 174.8640 71 E 3.8871 9.2381 122.5928 59.4097 28.9732 178.5227 72 V 3.5588 9.4907 119.4386 64.6671 31.4955 176.2808 73 P 4.1507 0.0000 0.0000 65.8393 31.2949 178.1943 74 A 3.9228 7.7774 120.7450 54.4447 18.3039 178.7694 75 N 4.2527 7.4037 110.9388 54.6166 39.7039 177.0738 76 L 3.9609 7.8678 121.8494 58.5787 42.1485 179.1420 77 E 3.9324 7.9384 118.1601 59.3460 29.3950 179.3729 78 R 4.1152 8.9747 122.5299 60.1626 29.9444 178.6025 *79 Y 4.3046 8.3907 119.9120 60.7510 37.1079 179.7623 80 K 4.3430 8.1708 118.7949 59.9924 32.8864 179.0964 81 E 3.9457 8.4814 119.4296 59.4777 28.0599 179.2674 82 S 4.2029 8.5949 116.2808 60.8873 62.6584 176.3292 83 E 4.1406 8.2807 122.7068 58.9767 29.3571 178.7186 84 L 4.0359 7.9063 119.0976 57.8278 41.7260 179.5249 85 I 3.7388 7.5630 119.3415 64.6146 36.5763 178.0278 86 H 4.5074 7.3103 115.6735 58.6099 28.3863 177.5892 87 C 4.2469 8.4583 117.1471 61.3630 29.4997 176.2267 88 R 3.6036 8.1005 120.5468 58.5248 29.5467 178.9479 89 W 4.0307 8.2565 118.7348 59.7217 29.1861 178.3865 90 A 4.0674 7.8733 119.8149 55.5341 17.6966 179.2598 91 M 4.0307 8.7500 116.6081 58.7411 32.5061 177.7056 92 L 4.0485 8.5412 120.6406 58.0943 41.9922 178.8259 93 A 4.0280 7.7800 119.6825 55.2160 18.1515 179.5059 94 V 3.7192 7.7614 116.5702 65.5465 31.3876 176.5288 95 P 4.4268 0.0000 0.0000 65.2330 31.1985 178.1687 96 G 3.8783 7.6783 103.6982 46.7949 0.0000 174.2365 97 I 3.8508 7.3551 111.6677 60.2414 37.3384 176.9639 98 L 4.1088 9.1205 119.5497 54.1991 41.5734 173.7687 99 V 4.3450 7.2884 116.8911 59.9698 33.6035 173.3100 100 P 4.2921 0.0000 0.0000 63.5955 31.8335 176.6035 101 E 3.5906 8.8539 119.7279 56.5046 28.2226 174.2464 102 A 4.2198 7.6400 119.8430 52.5391 19.2840 177.9042 103 L 4.5604 7.8158 116.9265 53.0550 41.8637 178.0715 104 G 3.4578 7.8610 109.2788 47.2848 0.0000 173.5712 105 Y 3.6619 6.5445 115.6893 58.3184 37.4052 173.1674 106 G 4.3823 8.9472 116.2366 46.0122 0.0000 171.3160 *112 Q 3.8991 8.3208 119.6261 58.5193 29.2046 177.6505 113 E 4.2161 8.8621 117.2618 55.3273 27.0579 173.9772 114 W 3.4808 6.9356 116.4729 57.7543 27.1045 174.3477 115 A 4.5625 8.1269 119.1877 51.9030 20.2391 177.4622 116 A 3.8180 8.7442 124.9914 51.1531 16.7914 177.6798 117 L 3.7424 7.7249 114.4113 55.7024 38.6918 173.0788 118 P 4.4539 0.0000 0.0000 65.3076 31.9098 176.2115 119 G 4.0236 7.0475 111.2961 44.4341 0.0000 172.6804 120 G 4.2428 7.7081 110.7214 42.5465 0.0000 172.9275 121 Q 5.0728 9.0519 122.8392 58.9927 29.2992 177.1196 122 A 4.3861 8.0655 117.7387 52.4288 19.9886 177.1098 123 T 3.8042 8.1877 114.9273 63.5681 66.5857 172.4306 124 Y 3.6570 7.8777 115.8645 57.6039 38.9285 167.5629 125 L 4.4916 8.3192 124.4852 55.1975 41.7651 177.4495 126 G 4.0440 8.8246 109.5346 44.5274 0.0000 172.1832 127 N 4.5658 8.3429 115.8673 52.2653 39.0438 173.6492 128 P 4.1068 0.0000 0.0000 62.4172 32.0646 176.5000 129 V 3.5752 8.2577 122.1633 65.0722 31.6647 173.9081 130 P 4.7737 0.0000 0.0000 61.8177 33.8459 174.7624 131 W 4.7769 8.7351 128.6234 57.1691 34.0793 174.7035 132 G 3.8607 8.4959 111.2158 44.7376 0.0000 173.6947 133 T 4.0022 8.5044 110.6909 65.1148 68.8048 177.2265 134 L 4.0111 7.9519 124.9845 58.7999 40.8132 179.6700 135 P 4.4796 0.0000 0.0000 65.7798 31.2671 178.4319 136 T 3.7757 7.8015 112.6939 64.7742 67.3745 175.7563 137 I 3.6182 7.6925 114.9488 64.0921 37.5495 177.9072 138 L 3.9046 7.8980 120.6957 57.3635 41.0159 179.1219 139 A 4.1822 8.4070 120.8705 55.6383 18.1876 179.8311 140 I 3.7501 7.6161 118.2614 64.2812 37.1604 178.3874 141 E 3.8377 8.1212 118.5749 59.5853 29.1996 179.2562 142 F 4.1579 7.8070 118.3625 60.2348 38.8675 177.7099 143 L 4.0945 7.9021 117.5475 57.4438 41.1489 179.3519 144 A 4.1847 7.9066 120.9151 55.3269 18.4455 179.8073 145 I 3.5053 7.9340 111.4537 63.9931 37.7204 178.1782 146 A 4.0297 8.3144 122.6390 54.8972 18.1708 179.3951 147 F 4.3649 8.0816 119.3674 61.4487 39.4845 177.8216 148 V 2.8093 6.6587 118.6395 64.4411 31.1302 178.2634 149 E 3.8718 8.1413 119.2255 59.2378 28.9873 178.7151 150 H 4.2200 7.8057 117.2948 59.5151 30.0192 177.1005 151 Q 3.9444 7.4294 118.2239 58.5845 28.2595 178.4077 152 R 3.9604 8.1728 119.9739 59.7126 29.9108 178.3232 153 S 4.1577 7.4283 111.7368 60.3173 63.1640 174.9192 154 M 4.6542 7.4994 123.8933 52.9479 31.0803 173.8825 155 E 4.3184 8.8671 122.0956 57.9016 31.7390 176.8430 156 K 3.9782 8.0033 113.7601 55.0498 32.1070 175.5591 157 D 4.5148 8.5779 117.0631 56.5074 41.6843 176.4050 158 P 4.2276 0.0000 0.0000 65.1343 31.1781 175.6344 159 E 4.7831 7.7493 117.7382 53.5844 32.8107 174.8498 160 K 4.5364 8.1804 122.2166 54.8904 32.4280 175.5972 161 K 4.1908 8.2954 127.6803 59.3080 33.7446 176.0582 162 K 4.5643 7.5725 121.7184 56.3857 32.8109 177.3563 163 Y 4.8128 8.4601 109.0122 55.2011 37.4850 174.5858 164 P 4.2297 0.0000 0.0000 63.2824 32.4786 177.5124 165 G 3.8392 8.4533 110.0091 46.1048 0.0000 173.7138 166 G 4.2151 7.6788 108.1046 44.8267 0.0000 174.3771 167 A 4.5838 7.6228 120.9516 50.2759 19.5717 176.0979 168 F 4.3011 8.3960 119.7119 58.2944 39.9332 175.2748 169 D 5.2307 7.9642 116.9309 52.0768 42.4729 174.3302 170 P 5.1401 0.0000 0.0000 62.7855 31.3037 175.8304 171 L 2.0000 7.7527 115.8966 51.5042 43.3410 176.1236 172 G 2.7967 7.7343 107.8190 44.4037 0.0000 172.8110 173 Y 5.4471 7.9948 114.2226 57.8323 39.6313 176.7228 174 S 3.6833 8.2215 116.8607 59.7315 62.6737 172.3579 175 K 4.6850 8.6440 117.1657 54.2816 34.6894 174.8144 176 D 4.9434 8.0134 121.7748 52.0405 44.3246 173.9506 177 P 4.0449 0.0000 0.0000 63.3184 31.2892 175.3137 178 K 5.1303 8.1058 124.1223 57.9006 32.3483 176.2663 179 K 4.5056 7.7042 120.4895 53.3227 33.6997 175.6933 180 L 4.3213 10.0686 126.3585 54.1405 42.3058 177.9323 181 E 3.7385 8.7176 120.0858 58.0148 29.4910 178.6983 182 E 3.7404 8.1594 115.9763 56.1937 29.1824 174.7176 183 L 3.7325 7.3548 116.6914 54.8678 41.0189 173.8414 184 K 3.8778 8.4938 116.6680 58.7435 30.0665 177.0113 185 V 4.1925 7.2571 114.7636 60.4406 30.3644 179.0833 186 K 4.5182 7.4954 124.3589 55.3943 34.0187 180.1992 187 E 4.0516 7.8390 116.0071 60.2570 29.2785 179.4266 188 I 3.6926 7.7241 119.0709 64.2198 37.2245 178.1586 189 K 3.8570 7.9105 119.3605 59.8116 31.9940 178.8338 190 N 4.4502 8.2426 116.6096 56.3786 38.7916 176.8905 191 G 3.5940 8.5894 107.8413 47.7838 0.0000 175.6714 192 R 3.9405 8.5007 119.8392 58.8743 29.2896 178.4604 193 L 3.9469 7.9934 120.8538 57.6624 42.1437 178.9092 194 A 4.0148 7.9391 120.5851 55.2556 18.1093 179.3834 195 L 4.0042 8.2231 117.8785 58.1185 41.4679 179.6970 196 L 4.0340 8.1303 119.1373 58.0715 42.3666 178.5946 197 A 4.4534 8.2461 120.9048 55.0761 17.9220 179.3208 198 F 4.2000 8.3192 118.8431 60.6756 39.6617 175.7769 199 V 3.3312 7.5575 117.3890 62.6806 33.9410 179.6429 200 G 3.8468 9.0174 114.7617 46.5516 0.0000 175.7855 201 F 4.2094 6.1114 122.2421 60.7993 39.1899 175.8307 202 C 4.2154 8.1004 117.2245 62.4609 31.5628 175.7445 203 V 3.7091 7.3712 119.4971 64.7250 30.6779 178.3417 204 Q 4.0594 8.0985 118.6623 57.4924 29.9120 176.7955 205 Q 4.7233 7.7956 115.6519 54.5360 28.2686 175.0261 206 S 4.3159 8.6772 116.2645 61.4620 64.4537 176.7758 207 A 4.2179 8.2367 122.8514 54.7228 18.2708 178.1160 208 Y 4.6094 7.9453 111.9523 57.2764 39.2452 175.2422 209 P 4.6838 0.0000 0.0000 61.7311 30.2304 175.7189 210 G 3.7003 8.0247 112.1798 48.4077 0.0000 171.8470 211 T 4.5823 7.7300 112.7607 59.7356 69.7238 173.6145 212 G 4.0345 8.3581 116.3509 43.5052 0.0000 171.7453 213 P 4.4803 0.0000 0.0000 62.9187 31.9760 177.0365 214 L 4.6866 7.9238 119.6506 53.1525 42.5935 173.9824 215 E 4.2697 8.1530 118.0845 55.4640 30.9193 177.5712 216 N 4.3223 8.8040 121.7964 57.0928 38.9135 173.6091 217 L 3.8600 7.9363 110.8328 53.1852 41.1818 173.2449 218 A 4.1740 8.6118 121.0880 55.3021 18.6109 178.1019 219 T 4.4812 8.0289 101.0002 60.3084 70.2085 173.8587 220 H 4.5035 8.7680 118.4299 55.6949 30.4024 175.6297 221 L 3.7660 8.6434 122.3975 54.7032 41.6301 172.8231 222 A 4.0321 7.8470 118.8074 53.5332 21.3015 177.4189 223 D 4.4991 7.6460 113.5576 52.3246 39.8710 171.4383 224 P 4.5316 0.0000 0.0000 63.0529 32.6527 175.8739 225 W 3.8756 8.8345 114.6270 55.9722 27.5918 174.5857 226 H 4.3590 8.8033 117.8004 57.2027 28.1976 175.0803 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 57 S 8.33 4.41 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.52 3.88 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 59 P 0.00 4.68 0.00 2.19 2.11 0.00 3.78 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 1.89 1.94 0.00 60 G 8.56 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 0.00 0.00 0.00 61 D 8.53 4.41 0.00 2.87 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 62 F 8.26 4.98 0.00 2.88 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 63 G 8.66 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.31 0.00 3.07 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 65 D 4.00 4.29 0.00 2.78 2.48 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 66 P 0.00 4.12 0.00 2.30 2.29 0.00 3.16 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 67 L 7.94 3.84 0.00 1.82 1.92 0.77 0.57 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 68 G 8.11 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 0.00 0.00 0.00 69 L 7.41 4.23 0.00 1.45 1.56 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.79 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.24 3.89 0.00 2.17 2.25 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 2.45 2.35 0.00 72 V 9.49 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 73 P 0.00 4.15 0.00 2.28 2.25 0.00 4.10 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 2.03 2.00 0.00 74 A 7.78 3.92 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 75 N 7.40 4.25 0.00 2.88 2.82 0.00 0.00 6.72 6.62 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 76 L 7.87 3.96 0.00 1.99 1.66 0.96 0.84 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 77 E 7.94 3.93 0.00 2.42 1.97 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 2.32 2.35 0.00 78 R 8.97 4.12 0.00 1.85 1.90 0.00 3.07 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.04 0.00 *79 Y 8.39 4.30 0.00 2.42 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 0.00 0.00 0.00 0.00 80 K 8.17 4.34 0.00 1.93 2.05 0.00 1.27 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.82 7.81 81 E 8.48 3.95 0.00 2.17 2.43 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 2.52 2.37 0.00 82 S 8.59 4.20 0.00 3.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.28 4.14 0.00 2.01 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 2.15 2.27 0.00 84 L 7.91 4.04 0.00 1.76 1.72 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.56 3.74 1.35 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 1.59 0.86 0.88 0.00 0.00 86 H 7.31 4.51 0.00 3.56 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.46 4.25 0.00 3.14 3.35 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 88 R 8.10 3.60 0.00 2.28 2.03 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 89 W 8.26 4.03 0.00 3.62 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 90 A 7.87 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 91 M 8.75 4.03 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 92 L 8.54 4.05 0.00 2.28 1.91 0.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.78 4.03 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 94 V 7.76 3.72 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 95 P 0.00 4.43 0.00 2.04 2.09 0.00 4.12 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 96 G 7.68 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 97 I 7.36 3.85 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.13 1.01 0.00 0.00 98 L 9.12 4.11 0.00 2.01 2.00 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.29 4.35 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 0.88 0.00 0.00 0.91 0.00 0.00 100 P 0.00 4.29 0.00 2.20 1.94 0.00 3.74 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 2.10 2.06 0.00 101 E 8.85 3.59 0.00 2.08 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 2.14 2.21 0.00 102 A 7.64 4.22 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 0.00 103 L 7.82 4.56 0.00 1.28 1.04 0.81 0.93 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 0.00 104 G 7.86 3.46 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 0.00 105 Y 6.54 3.66 0.00 2.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.95 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 0.00 0.00 0.00 0.00 *112 Q 8.32 3.90 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.69 0.00 0.00 0.00 0.00 0.00 2.10 1.72 0.00 113 E 8.86 4.22 0.00 2.20 2.24 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 2.21 2.41 0.00 114 W 6.94 3.48 0.00 3.25 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 0.00 115 A 8.13 4.56 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 0.00 116 A 8.74 3.82 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 0.00 117 L 7.72 3.74 0.00 1.88 1.82 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.45 0.00 2.17 2.18 0.00 3.85 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 1.95 1.93 0.00 119 G 7.05 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 0.00 0.00 0.00 120 G 7.71 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0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.32 0.00 129 V 8.26 3.58 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 0.75 0.00 0.00 0.64 0.00 0.00 130 P 0.00 4.77 0.00 2.14 1.88 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 131 W 8.74 4.78 0.00 3.20 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.50 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.50 4.00 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 0.80 0.00 0.00 134 L 7.95 4.01 0.00 1.67 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.48 0.00 2.26 2.35 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 136 T 7.80 3.78 4.20 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 0.00 0.00 0.00 145 I 7.93 3.51 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.73 0.00 0.00 146 A 8.31 4.03 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 0.00 147 F 8.08 4.36 0.00 3.09 3.44 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 0.00 148 V 6.66 2.81 1.30 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 0.57 0.00 0.00 0.67 0.00 0.00 149 E 8.14 3.87 0.00 2.00 2.02 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 2.27 2.25 0.00 150 H 7.81 4.22 0.00 3.17 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.43 3.94 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 152 R 8.17 3.96 0.00 1.81 2.16 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 153 S 7.43 4.16 0.00 3.95 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 0.00 154 M 7.50 4.65 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 155 E 8.87 4.32 0.00 2.03 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 2.15 2.34 0.00 156 K 8.00 3.98 0.00 1.80 2.26 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.30 7.81 157 D 8.58 4.51 0.00 2.78 2.62 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 0.00 158 P 0.00 4.23 0.00 2.20 2.15 0.00 3.75 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 1.96 1.91 0.00 159 E 7.75 4.78 0.00 1.88 1.78 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 2.18 2.28 0.00 160 K 8.18 4.54 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 161 K 8.30 4.19 0.00 1.72 1.86 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.48 7.81 162 K 7.57 4.56 0.00 1.70 1.47 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 163 Y 8.46 4.81 0.00 3.03 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 0.00 164 P 0.00 4.23 0.00 2.01 1.97 0.00 3.65 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 1.97 2.12 0.00 165 G 8.45 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 0.00 166 G 7.68 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 0.00 167 A 7.62 4.58 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.40 4.30 0.00 3.11 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 0.00 169 D 7.96 5.23 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.26 2.00 0.00 178 K 8.11 5.13 0.00 2.24 2.08 0.00 1.00 0.00 0.00 2.28 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.42 7.81 179 K 7.70 4.51 0.00 1.69 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.41 7.81 180 L 10.07 4.32 0.00 1.82 1.56 0.96 0.73 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 0.00 181 E 8.72 3.74 0.00 2.09 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 2.40 2.31 0.00 182 E 8.16 3.74 0.00 1.96 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 2.21 2.27 0.00 183 L 7.35 3.73 0.00 1.99 1.79 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.49 3.88 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.36 7.81 185 V 7.26 4.19 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 0.66 0.00 0.00 0.93 0.00 0.00 186 K 7.50 4.52 0.00 1.66 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 187 E 7.84 4.05 0.00 2.20 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 2.34 2.37 0.00 188 I 7.72 3.69 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.56 0.92 0.00 0.00 189 K 7.91 3.86 0.00 1.79 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.62 7.81 190 N 8.24 4.45 0.00 2.76 2.82 0.00 0.00 7.01 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 0.00 191 G 8.59 3.59 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 0.00 0.00 0.00 192 R 8.50 3.94 0.00 2.01 2.23 0.00 2.81 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 193 L 7.99 3.95 0.00 1.81 2.09 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.94 4.01 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 0.00 195 L 8.22 4.00 0.00 1.88 1.82 0.93 0.66 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 0.00 196 L 8.13 4.03 0.00 1.88 1.95 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 197 A 8.25 4.45 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.32 4.20 0.00 3.23 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 0.00 199 V 7.56 3.33 2.48 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 0.88 0.00 0.00 1.08 0.00 0.00 200 G 9.02 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 F 6.11 4.21 0.00 3.36 3.04 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 0.00 0.00 0.00 202 C 8.10 4.22 0.00 2.93 3.06 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 0.00 0.00 0.00 203 V 7.37 3.71 1.92 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 0.77 0.00 0.00 0.87 0.00 0.00 204 Q 8.10 4.06 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.30 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 205 Q 7.80 4.72 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 206 S 8.68 4.32 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 0.00 207 A 8.24 4.22 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 0.00 208 Y 7.95 4.61 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 P 0.00 4.68 0.00 2.21 2.14 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.29 0.00 210 G 8.02 3.70 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 0.00 211 T 7.73 4.58 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 1.25 0.00 0.00 212 G 8.36 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 0.00 0.00 0.00 213 P 0.00 4.48 0.00 2.20 2.09 0.00 3.74 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 2.00 2.00 0.00 214 L 7.92 4.69 0.00 1.58 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.15 4.27 0.00 2.09 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 2.28 2.33 0.00 216 N 8.80 4.32 0.00 2.72 2.93 0.00 0.00 7.41 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 0.00 217 L 7.94 3.86 0.00 1.69 2.02 0.92 0.76 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 0.00 218 A 8.61 4.17 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 0.00 219 T 8.03 4.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 220 H 8.77 4.50 0.00 3.34 3.38 0.00 5.60 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 0.00 221 L 8.64 3.77 0.00 1.85 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 222 A 7.85 4.03 0.80 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 0.00 223 D 7.65 4.50 0.00 2.72 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 0.00 224 P 0.00 4.53 0.00 2.07 2.10 0.00 3.63 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 2.06 2.21 0.00 225 W 8.83 3.88 0.00 3.20 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 0.00 226 H 8.80 4.36 0.00 3.05 3.04 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.