NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3349 8.1849 120.6307 54.3536 43.3279 176.3346 2 K 4.3127 8.4970 121.8098 55.8901 33.9287 174.1173 3 K 5.1328 10.5023 123.7577 54.9618 35.0148 175.1555 4 I 4.8607 8.6527 125.2601 59.3495 40.4586 174.0507 5 L 4.9991 8.8164 129.4967 53.5600 44.0668 174.8926 6 I 4.8891 8.9360 127.3378 59.6395 40.0856 174.7450 7 I 4.7497 8.4650 126.6044 59.8719 40.3110 174.3361 8 D 4.7951 9.0370 127.1510 53.2772 44.3635 176.2726 9 Q 4.1481 8.7337 124.8727 58.5697 29.1430 177.2060 10 Q 4.1534 8.3766 119.4757 55.3487 29.2460 176.5688 11 D 4.3834 8.8074 126.3371 57.2625 40.9661 178.5267 12 F 4.0635 8.2683 120.8125 61.4759 39.5292 177.2690 13 S 4.1018 8.2022 113.3350 61.1877 62.9846 176.1539 14 R 3.8999 8.1962 122.5270 59.4227 29.7654 178.6422 15 I 3.7552 7.9296 119.7909 64.1864 37.0037 178.0476 16 E 3.7663 7.9317 120.3709 58.8126 29.2630 178.7633 17 L 4.0933 8.0456 120.5424 58.0941 42.2476 178.7906 18 K 3.9584 8.1006 119.5965 59.6459 31.9058 178.3706 19 N 4.3612 8.2337 115.9388 56.3327 38.5190 176.8809 20 F 4.4170 7.9500 120.6964 61.2774 39.9214 176.8647 21 L 4.0818 8.4358 118.0726 56.7411 41.3781 178.7323 22 D 4.4491 8.3287 118.8746 57.2876 40.7246 178.5270 23 S 4.1859 7.9323 114.3985 60.3707 62.9422 174.3121 24 E 4.0479 7.8226 120.1979 56.3342 30.9967 174.1844 25 Y 4.9005 7.5936 114.0219 55.9746 42.9205 174.9391 26 L 4.3623 8.8585 120.5263 54.3606 42.5998 176.4480 27 V 4.7237 8.3944 124.5521 61.1520 33.4889 174.6125 28 I 4.5889 8.8308 129.5409 59.5898 39.1887 174.7087 29 E 5.0410 8.6793 124.4805 55.1887 31.9087 175.0920 30 S 4.8965 8.6898 114.6076 57.2754 66.2017 174.6171 31 K 4.8175 9.4118 123.3454 56.3329 34.0513 175.2163 32 N 5.0289 7.6086 116.4941 50.1908 41.5192 174.4391 33 E 3.8826 8.7630 120.1756 59.5521 29.5341 178.6082 34 K 3.9287 8.0320 118.8341 59.3937 32.3415 178.3147 35 E 3.9079 9.0984 118.9750 59.4059 29.3846 178.7965 36 A 4.0592 8.0648 122.2151 54.7557 18.4401 179.6295 37 L 3.9118 8.1946 117.1708 58.0665 41.6062 179.8216 38 E 4.0226 8.2585 118.4806 59.5224 29.4301 179.4098 39 Q 3.9990 8.6007 118.5257 58.7960 28.6551 178.9523 40 I 3.6780 7.8943 121.1961 64.4622 36.9394 178.1817 41 D 4.2128 7.8694 118.4749 57.6809 40.7007 178.2699 42 H 4.3028 8.3154 115.8432 58.0358 28.8820 176.4967 43 H 4.8894 8.4996 115.2085 54.1937 31.7742 173.6735 44 H 4.0146 8.1063 116.4007 55.7771 26.2613 172.6418 45 P 4.4535 0.0000 0.0000 63.0551 32.1663 177.1432 46 D 4.6358 8.5610 119.5856 56.4863 41.5684 176.5121 47 L 4.7383 7.6094 118.9655 53.5193 45.9159 174.3778 48 V 4.8036 8.5710 124.2115 61.0747 35.0174 174.1297 49 I 4.7429 8.8671 128.1241 59.4303 40.0622 174.0149 50 L 4.8040 9.2196 130.1170 53.3787 44.0693 174.7327 51 D 5.1940 8.9607 129.4370 53.0342 41.8544 176.6639 *53 D 4.6476 8.5613 116.3991 52.8416 40.7353 176.3356 54 I 3.8025 7.0279 113.7825 62.9397 38.1586 176.0725 *61 N 4.5265 7.5457 125.6199 52.0654 38.9359 174.5869 62 L 4.1174 8.1440 126.1809 57.3454 42.3116 177.9762 63 C 4.0974 8.0635 116.6302 62.9211 28.1757 175.2577 64 L 3.9095 8.0030 119.8509 57.8957 41.0056 179.0683 65 K 3.7861 7.6250 117.9833 59.9725 32.4988 178.3956 66 L 4.1317 8.0447 118.7941 57.7922 41.3227 179.7183 67 K 4.1248 8.3477 117.6962 58.6211 31.9304 178.2089 68 R 4.3843 8.0934 118.1277 55.2203 30.5404 175.1180 69 S 4.7399 7.4186 112.3947 55.8889 64.1619 173.8766 70 K 4.4906 8.4799 127.5084 54.6549 30.8641 176.1833 71 G 4.6665 7.3317 122.5110 46.6646 0.0000 171.0364 72 L 4.6500 7.1723 119.6583 54.1653 42.1996 175.9757 73 K 4.2356 7.9354 119.3191 57.6136 32.1783 176.6705 74 N 4.2938 8.9894 119.7917 53.7366 35.7895 173.8436 75 V 4.4945 7.4385 112.0677 58.6986 33.4051 174.2474 76 P 4.7354 0.0000 0.0000 62.7769 32.9653 174.8315 77 L 5.1497 9.4261 123.3888 53.3552 45.0828 174.9409 78 I 4.6840 8.5655 126.7743 59.3156 40.1725 174.0440 79 L 4.9767 8.7689 129.0574 53.2864 43.9576 174.7356 80 L 5.3498 9.2968 126.6689 52.9806 44.2707 175.5066 81 F 4.9972 8.2583 117.6554 55.5740 41.7083 175.0826 82 S 4.2654 8.5294 115.4464 57.5295 64.3393 172.5880 83 S 4.2224 8.5551 115.0115 58.2419 62.4388 174.3341 *88 A 4.6031 8.5004 130.1340 52.3072 20.4106 178.2343 89 I 3.8544 7.2601 115.4715 63.3976 37.6229 178.1913 90 V 3.6300 7.5057 118.6396 64.9200 31.3069 176.4901 91 N 4.4161 7.8778 116.4233 53.8136 38.7612 175.9220 92 G 3.9223 7.4207 103.9722 45.0924 0.0000 174.3175 93 L 3.9430 7.9359 122.2895 56.3346 42.6651 175.7363 94 H 4.2932 8.7031 118.0596 55.5693 26.3075 174.9924 95 S 5.0444 7.2903 111.7073 57.2783 64.1487 173.8205 96 G 4.0062 8.9831 107.2137 45.3980 0.0000 173.9947 97 A 4.3398 7.7315 121.7084 51.5814 19.6884 176.7317 98 D 4.7219 8.4349 119.1973 56.0995 41.9026 176.6378 99 D 4.8304 7.4099 115.9795 53.3542 45.1559 173.5481 100 Y 5.3435 8.8317 120.9420 56.3471 41.6937 174.1755 101 L 5.1137 9.0683 124.9220 52.9441 44.7241 176.4361 102 T 3.4898 8.2175 113.1185 60.9208 70.2481 173.8288 103 K 4.7876 8.2784 122.8171 53.9550 34.0330 174.9796 104 P 4.2650 0.0000 0.0000 62.4006 32.2001 175.5680 105 F 4.7956 7.3554 114.7361 55.0811 40.1686 175.4248 106 N 4.5285 8.6293 120.8351 53.2631 39.6962 175.9844 107 R 4.0452 8.6836 127.7028 59.7087 30.2781 178.7116 108 N 4.5892 8.2337 115.7072 56.2104 38.5282 176.8704 109 D 4.3834 8.8937 120.2026 57.0154 41.2488 178.0053 110 L 3.8465 8.1075 120.9929 58.0881 42.1067 178.7055 111 L 4.0744 8.1627 120.3200 58.1203 41.8981 179.0002 112 S 4.1080 7.9813 112.6743 61.4590 62.4479 176.3001 113 R 3.9020 8.2213 120.9613 59.2596 29.7450 178.9438 114 I 3.6281 8.0651 119.9176 64.5903 37.1560 178.0450 115 E 4.0352 8.2992 119.8412 59.3898 29.3208 179.0070 116 I 3.7303 8.0053 120.1160 64.6394 37.2173 178.1058 117 H 4.1737 8.6901 117.4294 58.9205 28.4395 177.9517 118 L 4.0770 8.3932 121.2457 57.6177 41.3676 179.4434 119 R 3.9222 8.2212 118.8409 59.8287 30.0257 178.7897 120 T 3.8741 8.2778 115.8302 66.4957 68.5244 176.4813 121 Q 4.1704 8.2418 121.6382 59.3611 29.0431 178.2275 122 N 4.4101 8.5642 117.8842 56.2684 38.4749 176.4801 123 Y 4.0673 8.3747 121.4657 61.3608 38.5769 178.2220 124 Y 4.0911 7.9495 115.5119 60.6148 38.0179 178.1781 125 S 4.3231 7.7366 115.4166 61.7976 63.1234 176.1936 126 D 4.4472 8.5289 120.2180 56.6074 40.5475 176.8066 127 L 4.1276 7.2321 125.1999 55.2250 42.2481 176.0822 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 1 L 8.18 4.33 0.00 1.67 1.71 0.91 0.55 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 2 K 8.50 4.31 0.00 2.03 1.78 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.59 7.81 3 K 10.50 5.13 0.00 1.71 1.71 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.46 7.81 4 I 8.65 4.86 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.56 0.78 0.00 0.00 5 L 8.82 5.00 0.00 1.73 1.49 0.98 1.21 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 6 I 8.94 4.89 1.87 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 1.20 0.77 0.92 0.00 0.00 7 I 8.47 4.75 1.86 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 1.10 0.72 0.91 0.00 0.00 8 D 9.04 4.80 0.00 2.77 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 9 Q 8.73 4.15 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 10 Q 8.38 4.15 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 11 D 8.81 4.38 0.00 2.75 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 12 F 8.27 4.06 0.00 3.15 3.08 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 13 S 8.20 4.10 0.00 4.15 4.21 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 14 R 8.20 3.90 0.00 2.04 2.09 0.00 3.17 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 I 7.93 3.76 1.78 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 1.39 0.63 0.85 0.00 0.00 16 E 7.93 3.77 0.00 1.57 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 2.21 2.19 0.00 17 L 8.05 4.09 0.00 2.04 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.10 3.96 0.00 1.90 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.50 7.81 19 N 8.23 4.36 0.00 2.81 2.90 0.00 0.00 7.03 8.29 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 20 F 7.95 4.42 0.00 3.04 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 21 L 8.44 4.08 0.00 1.78 1.81 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.33 4.45 0.00 2.64 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 23 S 7.93 4.19 0.00 3.66 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 24 E 7.82 4.05 0.00 1.46 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 25 Y 7.59 4.90 0.00 2.79 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 26 L 8.86 4.36 0.00 1.83 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.39 4.72 2.30 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 0.82 0.00 0.00 1.03 0.00 0.00 28 I 8.83 4.59 1.87 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 1.21 0.45 0.96 0.00 0.00 29 E 8.68 5.04 0.00 1.96 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 2.19 2.28 0.00 30 S 8.69 4.90 0.00 3.95 3.67 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 31 K 9.41 4.82 0.00 2.00 2.02 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.31 7.81 32 N 7.61 5.03 0.00 2.96 2.93 0.00 0.00 5.88 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 33 E 8.76 3.88 0.00 2.06 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 2.38 2.39 0.00 34 K 8.03 3.93 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.77 7.81 35 E 9.10 3.91 0.00 2.15 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 2.33 2.60 0.00 36 A 8.06 4.06 1.39 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 0.00 0.00 0.00 37 L 8.19 3.91 0.00 1.68 1.73 0.94 1.18 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 38 E 8.26 4.02 0.00 2.17 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 2.33 2.65 0.00 39 Q 8.60 4.00 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 40 I 7.89 3.68 2.00 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 1.50 0.82 0.85 0.00 0.00 41 D 7.87 4.21 0.00 2.79 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 42 H 8.32 4.30 0.00 2.95 3.08 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.50 4.89 0.00 3.15 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.11 4.01 0.00 3.23 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.45 0.00 2.32 2.06 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 1.98 1.98 0.00 46 D 8.56 4.64 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.74 0.00 1.58 1.29 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.57 4.80 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 1.02 0.00 0.00 0.89 0.00 0.00 49 I 8.87 4.74 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.53 0.82 0.00 0.00 50 L 9.22 4.80 0.00 1.66 1.45 0.92 1.18 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 51 D 8.96 5.19 0.00 2.74 2.49 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 0.00 *53 D 8.56 4.65 0.00 2.88 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 54 I 7.03 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.99 0.00 0.00 *61 N 7.55 4.53 0.00 2.79 2.82 0.00 0.00 6.61 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 62 L 8.14 4.12 0.00 1.77 1.66 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.06 4.10 0.00 3.03 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 64 L 8.00 3.91 0.00 2.00 1.74 0.98 0.90 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 65 K 7.62 3.79 0.00 1.70 2.03 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.56 7.81 66 L 8.04 4.13 0.00 1.87 1.68 0.93 0.57 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 67 K 8.35 4.12 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.59 1.70 7.81 68 R 8.09 4.38 0.00 1.87 2.06 0.00 3.22 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 69 S 7.42 4.74 0.00 3.90 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 70 K 8.48 4.49 0.00 1.91 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 G 7.33 4.67 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 0.00 0.00 0.00 72 L 7.17 4.65 0.00 1.92 1.62 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.94 4.24 0.00 1.72 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 74 N 8.99 4.29 0.00 2.89 2.97 0.00 0.00 6.98 7.68 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 75 V 7.44 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.74 0.00 1.97 2.16 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 77 L 9.43 5.15 0.00 1.63 1.42 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.57 4.68 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.61 0.79 0.00 0.00 79 L 8.77 4.98 0.00 1.35 1.07 0.99 0.59 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 80 L 9.30 5.35 0.00 1.61 1.57 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.26 5.00 0.00 3.19 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 82 S 8.53 4.27 0.00 3.90 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 83 S 8.56 4.22 0.00 3.91 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 *88 A 8.50 4.60 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 89 I 7.26 3.85 1.37 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.29 0.00 0.00 90 V 7.51 3.63 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 0.74 0.00 0.00 0.88 0.00 0.00 91 N 7.88 4.42 0.00 2.90 2.80 0.00 0.00 7.26 7.91 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 92 G 7.42 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 0.00 0.00 0.00 93 L 7.94 3.94 0.00 1.79 1.57 0.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.70 4.29 0.00 3.33 3.41 0.00 6.00 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 95 S 7.29 5.04 0.00 4.01 4.05 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 0.00 0.00 0.00 96 G 8.98 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 0.00 0.00 0.00 97 A 7.73 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.43 4.72 0.00 2.58 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 99 D 7.41 4.83 0.00 2.67 2.41 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 0.00 100 Y 8.83 5.34 0.00 3.14 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 0.00 101 L 9.07 5.11 0.00 1.50 1.48 0.86 0.31 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 0.00 102 T 8.22 3.49 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 1.21 0.00 0.00 103 K 8.28 4.79 0.00 1.58 1.71 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.42 7.81 104 P 0.00 4.26 0.00 1.97 1.90 0.00 3.68 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 1.90 1.87 0.00 105 F 7.36 4.80 0.00 3.04 3.15 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 0.00 0.00 0.00 0.00 106 N 8.63 4.53 0.00 2.81 2.80 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.68 4.05 0.00 1.64 0.76 0.00 2.21 0.00 0.00 2.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 108 N 8.23 4.59 0.00 2.98 2.94 0.00 0.00 6.79 8.08 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 0.00 109 D 8.89 4.38 0.00 2.85 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 0.00 110 L 8.11 3.85 0.00 1.46 1.74 0.68 -0.45 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 0.00 111 L 8.16 4.07 0.00 2.26 1.98 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.98 4.11 0.00 4.01 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 0.00 113 R 8.22 3.90 0.00 2.02 2.03 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 114 I 8.07 3.63 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.57 0.00 0.00 115 E 8.30 4.04 0.00 2.40 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 2.35 2.45 0.00 116 I 8.01 3.73 1.93 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 1.50 0.66 0.82 0.00 0.00 117 H 8.69 4.17 0.00 3.31 3.34 0.00 5.81 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 0.00 118 L 8.39 4.08 0.00 1.72 1.76 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.22 3.92 0.00 2.17 1.92 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 120 T 8.28 3.87 4.46 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 1.45 0.00 0.00 121 Q 8.24 4.17 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 122 N 8.56 4.41 0.00 3.03 2.89 0.00 0.00 6.64 7.79 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 0.00 123 Y 8.37 4.07 0.00 2.97 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 0.00 124 Y 7.95 4.09 0.00 3.15 3.03 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 S 7.74 4.32 0.00 4.09 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 0.00 126 D 8.53 4.45 0.00 2.50 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 0.00 127 L 7.23 4.13 0.00 1.53 1.63 0.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.