NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4028 8.3449 121.9830 56.3451 31.3946 175.6922 3 H 4.3911 8.1549 115.3142 55.9133 30.3439 173.2237 4 L 5.2170 9.1479 121.7174 53.4458 44.2041 175.2412 5 V 4.8647 9.1474 125.4876 61.1436 33.5584 174.2401 6 L 5.3280 9.0412 128.9221 53.3469 43.4623 175.7468 7 I 4.9341 9.6231 117.3301 57.7988 41.0178 175.9408 8 G 3.3728 7.8196 109.0448 43.4021 0.0000 172.3412 9 F 4.4054 7.9109 118.2971 57.0497 39.5515 174.9272 10 M 4.2176 8.6836 123.5108 57.4644 32.3661 176.7069 11 G 4.0315 9.0378 113.7048 45.4249 0.0000 174.1690 12 S 4.2417 7.7458 113.6121 59.1444 63.7109 175.1609 13 G 4.2050 8.4574 110.0097 45.5984 0.0000 175.6408 14 K 3.9380 8.4419 120.8279 59.4408 32.0808 179.2261 15 S 4.1387 8.0325 114.7724 61.8380 62.8111 176.8992 16 S 4.1235 7.9744 117.2650 61.4856 62.6091 176.3805 17 L 3.9003 8.0821 122.8736 57.8334 41.7146 178.7770 18 A 3.9277 8.3750 121.2838 55.1304 18.4648 179.2144 19 Q 3.8797 8.0319 117.9620 59.5707 29.1464 178.5729 20 E 3.9541 8.0873 119.3892 59.3157 29.4954 179.3260 21 L 4.0076 8.3513 119.5852 57.7629 41.6202 179.7203 22 G 3.6638 8.2808 105.7938 47.9209 0.0000 175.7287 23 L 3.9711 7.8688 120.7532 57.4828 41.4332 179.4670 24 A 4.1345 7.9398 119.7680 54.0217 18.4147 178.5777 25 L 4.4377 7.5991 114.3947 53.1845 43.1715 176.2987 26 K 3.8422 7.6348 116.0511 57.8316 30.0267 175.0663 27 L 4.8229 7.7918 116.9272 52.5280 44.6050 177.6129 28 E 4.1511 8.6615 123.2980 56.3632 31.0914 175.2982 29 V 5.0226 8.3187 124.2273 61.1291 34.1163 174.5353 30 L 4.9672 9.3045 126.7144 52.9125 45.9210 174.9341 31 D 5.3010 8.4133 120.4959 52.3210 43.8394 176.3363 32 T 3.8931 8.9470 117.8615 65.1253 68.7496 176.2765 33 D 4.6078 8.2634 121.4845 57.3947 40.8580 178.3720 34 M 4.0919 8.5422 118.6450 58.4704 32.1803 178.3553 35 I 3.6999 8.0856 120.3270 64.3663 37.3047 178.3833 36 I 3.6440 7.8693 120.5298 64.4574 37.0161 178.2212 37 S 4.4080 8.3067 115.4311 61.0843 61.9531 176.2502 38 E 4.1304 8.3132 120.0314 59.3009 29.2135 179.2597 39 R 3.9946 7.9758 117.7393 58.8882 30.2095 178.5669 40 V 3.8899 7.7488 116.5693 62.7291 31.7284 176.5972 41 G 3.9361 8.4218 105.8641 45.9531 0.0000 173.0288 42 L 4.9549 7.4732 117.5864 51.5165 45.9343 176.4167 43 S 4.4022 9.3051 118.2224 57.3589 65.1232 175.4499 44 V 3.6596 8.4782 122.1880 66.6790 31.1039 178.3401 45 R 3.8687 7.9179 117.5427 59.4039 29.9339 178.1536 46 E 4.0622 8.2337 118.5599 59.2433 29.4018 179.2811 47 I 3.8238 8.5904 120.2853 64.6800 36.7658 178.5275 48 F 4.0691 8.5866 118.4687 60.3928 38.4239 177.7451 49 E 4.0770 8.1990 117.5529 59.3075 29.4752 178.6650 50 E 4.2501 8.7909 117.4536 58.3953 30.0247 177.5768 51 L 4.4632 8.4827 116.4675 53.9417 43.9364 177.9575 52 G 4.0177 8.0293 103.7624 44.8554 0.0000 173.8820 53 E 3.1384 8.4974 120.3812 58.8149 29.5358 178.8725 54 D 4.2652 7.9704 118.4993 57.5108 40.8095 178.5708 55 N 3.6879 7.7260 116.0277 55.9414 38.4960 176.8305 56 F 3.7524 7.4138 121.5167 61.5154 39.2616 177.4871 57 R 3.8569 8.3041 117.7342 59.2619 29.8264 178.7895 58 M 3.8836 7.7490 118.0611 58.5405 32.2050 178.1676 59 F 4.4114 7.6942 118.3412 60.6024 38.9552 177.2708 60 E 3.7434 8.0483 118.9647 59.1155 29.3975 178.9265 61 K 3.6908 7.9563 118.7149 59.6737 32.0692 179.1636 62 N 4.3668 8.1632 116.5847 56.0466 38.3236 177.3315 63 L 3.9031 8.1007 121.9897 57.9553 42.2357 178.7733 64 I 3.6755 7.9004 120.0921 64.7299 36.8847 177.8948 65 D 4.3609 7.5944 117.4726 57.4177 41.0519 178.1757 66 E 4.0634 8.3511 119.7876 59.4682 29.6428 178.9590 67 L 4.0851 8.3653 119.0262 57.3098 41.4313 179.4006 68 K 4.1482 7.7930 117.5239 58.9909 31.9919 178.5291 69 T 4.1894 7.5331 108.4687 62.0962 69.4453 175.1385 70 L 4.1924 7.3038 123.2142 54.6081 42.2561 177.1900 71 K 4.1699 8.6887 122.5078 59.3026 33.3825 177.5515 72 T 4.3415 7.6779 115.4898 61.5018 69.4216 172.6424 73 P 4.5143 0.0000 0.0000 63.3380 32.0408 175.3941 74 H 5.1104 9.1578 119.7240 53.7708 33.4228 172.6684 75 V 4.3756 8.5262 121.3232 62.7115 32.8004 174.8223 76 I 5.0667 9.0761 129.3730 59.6520 39.8792 174.9796 77 S 5.1459 9.1779 123.1307 57.4055 65.4038 173.3164 78 T 5.5105 7.5491 110.2380 58.7196 72.6781 173.7249 79 G 4.0446 8.8003 111.1971 44.9433 0.0000 175.0122 80 G 3.8082 8.9012 109.7895 48.2227 0.0000 174.8225 81 G 3.9447 8.1500 106.4802 45.5824 0.0000 175.0433 82 I 3.8302 7.8821 121.4059 63.7869 38.0811 177.8209 83 V 3.9175 7.7152 111.7577 62.8124 31.5617 176.8877 84 M 4.0407 7.8615 117.4178 57.4126 31.4545 176.1174 85 H 4.6882 7.7987 118.3552 54.3358 29.4676 175.9785 86 E 3.9929 8.8280 125.6174 58.7913 29.7082 177.5822 87 N 4.4757 8.0221 113.7701 53.3984 38.3217 175.6909 88 L 4.0175 7.9860 122.3030 57.7746 42.4002 177.0346 89 K 4.0010 7.2204 120.2858 58.2154 32.1693 176.7026 90 G 3.9977 8.9275 114.8014 45.0993 0.0000 173.8557 91 L 4.0839 8.0538 121.6090 57.5717 42.4062 176.4512 92 G 4.1397 7.1401 101.0830 46.5647 0.0000 172.1040 93 T 4.2848 8.3036 117.9546 63.7471 69.6412 174.0897 94 T 5.1157 8.8245 123.7602 61.7369 71.5474 173.3438 95 F 5.2483 9.4013 125.0738 55.8469 42.0086 173.9591 96 Y 4.9110 9.0740 126.8387 56.9163 39.6270 174.4620 97 L 4.2996 8.7272 130.8209 54.3316 41.7228 174.7651 98 K 3.6211 8.7123 127.5858 55.1068 33.2159 174.8839 99 M 5.2081 8.5529 127.1392 53.0659 34.8853 175.8553 100 D 4.7098 8.7062 121.5056 53.0993 40.6702 176.9263 101 F 3.2796 8.6464 122.4361 61.5873 39.1025 177.4529 102 E 3.6872 8.0177 117.3817 59.5029 29.2450 179.2842 103 T 3.7773 8.2997 115.9699 66.5051 68.4452 176.4600 104 L 3.9051 7.7523 122.2040 58.1656 42.0365 179.0917 105 I 3.4397 7.4408 119.9211 63.8560 36.6811 178.2011 106 K 3.7857 7.5465 119.5499 59.6441 32.4302 178.6360 107 R 4.0392 8.1917 118.5124 59.2817 29.7730 179.1064 108 L 4.2214 7.9249 117.7840 56.9141 41.9294 177.8625 109 N 4.4932 8.1150 118.0983 52.9952 38.4751 175.1913 110 Q 4.7177 8.5194 120.7967 56.7237 28.6763 177.4365 *119 L 4.0950 7.6183 117.4283 55.5463 41.8496 178.0155 120 N 4.3345 7.6193 117.5582 54.6884 36.6519 178.7951 121 N 3.3728 6.4806 111.7130 52.4871 41.5109 174.6386 122 L 4.5813 7.3825 117.5625 54.0300 42.5433 178.5359 123 T 3.8304 7.9229 118.1329 66.9434 68.4551 176.4802 124 Q 4.1657 8.0699 119.1085 58.8764 28.7977 178.2849 125 A 4.1276 8.0994 121.3881 55.2736 18.3527 179.4827 126 K 3.2477 8.3137 118.1393 59.2148 32.1529 178.9895 127 E 3.9454 8.1312 119.0611 59.3010 29.3624 179.0908 128 L 4.0307 8.1598 120.4109 57.9095 42.0855 178.5116 129 F 4.2663 8.7460 121.1450 61.7374 39.3834 177.0894 130 E 4.0794 8.7238 118.5510 59.1985 29.1174 179.5324 131 K 3.9821 8.2254 119.0274 60.0387 32.6074 179.5623 132 R 3.5729 8.2282 119.3334 58.5553 29.9139 178.6641 133 Q 3.7802 8.3365 119.6863 58.9692 29.0272 178.0532 134 A 3.9128 7.7761 121.6711 55.2633 18.1536 179.6705 135 L 3.7823 7.1369 116.4395 57.8915 41.7760 178.9051 136 Y 4.1979 7.2736 116.9335 61.1972 37.3251 178.7381 137 E 4.0008 8.1371 119.4883 59.1183 29.3178 179.2411 138 K 3.9262 7.9898 118.9780 58.6987 32.2460 177.5305 139 N 4.7106 7.4801 113.9018 51.8864 39.3214 174.2210 140 A 4.6970 6.9995 123.8017 50.7413 20.7056 177.9083 141 S 4.1322 8.5529 118.8314 61.0226 63.6908 174.9718 142 F 5.0134 7.7892 116.2237 56.0272 43.6488 173.5579 143 I 4.9800 8.7129 122.8524 59.9553 38.7951 175.0776 144 I 4.4727 8.8726 129.0999 60.0840 38.9425 175.0654 145 D 4.6655 9.3707 127.2847 53.6691 40.4350 175.7933 146 A 4.4214 8.8692 129.6844 52.1768 18.8987 179.1695 147 R 3.9513 8.2179 115.5794 58.5181 30.2199 177.8494 148 G 3.6931 8.0205 104.6874 45.4182 0.0000 173.9511 149 G 3.9042 7.8342 106.7562 44.5847 0.0000 174.5639 150 L 3.8662 8.4884 118.8960 58.4720 41.7998 178.6167 151 N 4.3067 8.0666 115.6814 56.3513 38.5863 176.8117 152 N 4.2548 8.0269 117.9798 56.6106 38.8882 177.0729 153 S 3.9977 8.0979 116.7493 61.2829 62.9232 176.2628 154 L 3.7727 8.3639 123.3814 57.9616 41.8207 178.8873 155 K 3.7973 8.1060 119.6449 59.5446 31.9990 178.6893 156 Q 3.2844 7.6242 117.9503 58.6123 28.3135 179.0048 157 V 3.0700 6.8997 117.7043 65.8707 31.5693 177.7717 158 L 4.0207 7.3782 117.3324 57.6962 41.4733 178.9928 159 Q 4.1258 7.7784 118.7156 59.0790 29.1302 176.4720 160 F 4.5167 8.1876 122.5112 57.7615 39.0058 175.0324 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.34 4.40 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 3 H 8.15 4.39 0.00 3.28 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.15 5.22 0.00 1.65 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.15 4.86 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 1.12 0.00 0.00 1.02 0.00 0.00 6 L 9.04 5.33 0.00 1.66 1.61 0.93 0.47 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 7 I 9.62 4.93 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.99 0.00 0.00 8 G 7.82 3.37 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 9 F 7.91 4.41 0.00 3.36 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 10 M 8.68 4.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 11 G 9.04 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 12 S 7.75 4.24 0.00 4.08 4.15 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 13 G 8.46 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 0.00 0.00 0.00 14 K 8.44 3.94 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.54 7.81 15 S 8.03 4.14 0.00 3.87 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 16 S 7.97 4.12 0.00 3.85 3.89 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 17 L 8.08 3.90 0.00 1.77 1.80 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.37 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.03 3.88 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 20 E 8.09 3.95 0.00 2.11 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 2.44 2.46 0.00 21 L 8.35 4.01 0.00 1.84 1.64 0.66 0.57 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 22 G 8.28 3.66 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 0.00 0.00 0.00 23 L 7.87 3.97 0.00 1.90 1.70 0.90 0.63 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 24 A 7.94 4.13 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 25 L 7.60 4.44 0.00 1.70 1.68 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.63 3.84 0.00 1.94 1.86 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 27 L 7.79 4.82 0.00 1.47 1.53 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.66 4.15 0.00 2.01 1.72 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 2.43 2.39 0.00 29 V 8.32 5.02 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 0.89 0.00 0.00 1.00 0.00 0.00 30 L 9.30 4.97 0.00 1.53 1.49 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.41 5.30 0.00 2.73 2.50 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 0.00 0.00 0.00 32 T 8.95 3.89 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 1.23 0.00 0.00 33 D 8.26 4.61 0.00 2.99 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 34 M 8.54 4.09 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 35 I 8.09 3.70 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 0.60 0.89 0.00 0.00 36 I 7.87 3.64 2.04 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 1.04 0.00 0.00 37 S 8.31 4.41 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.31 4.13 0.00 2.22 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 0.00 2.35 2.36 0.00 39 R 7.98 3.99 0.00 1.78 1.83 0.00 3.22 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 40 V 7.75 3.89 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 0.88 0.00 0.00 0.75 0.00 0.00 41 G 8.42 3.94 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 0.00 0.00 0.00 42 L 7.47 4.95 0.00 1.74 1.57 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.31 4.40 0.00 4.02 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 44 V 8.48 3.66 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 0.68 0.00 0.00 1.07 0.00 0.00 45 R 7.92 3.87 0.00 1.85 1.90 0.00 3.31 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 46 E 8.23 4.06 0.00 2.35 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 2.36 2.38 0.00 47 I 8.59 3.82 2.28 0.00 0.00 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 1.73 0.90 1.20 0.00 0.00 48 F 8.59 4.07 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.20 4.08 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 2.39 2.53 0.00 50 E 8.79 4.25 0.00 2.28 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 2.36 2.42 0.00 51 L 8.48 4.46 0.00 1.71 1.73 1.16 1.04 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 52 G 8.03 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 53 E 8.50 3.14 0.00 1.95 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 2.34 2.22 0.00 54 D 7.97 4.27 0.00 2.69 2.60 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 0.00 0.00 0.00 55 N 7.73 3.69 0.00 2.71 2.09 0.00 0.00 6.69 8.13 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 56 F 7.41 3.75 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.30 3.86 0.00 1.96 1.98 0.00 3.52 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 58 M 7.75 3.88 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 59 F 7.69 4.41 0.00 2.91 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 60 E 8.05 3.74 0.00 1.77 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 2.29 2.28 0.00 61 K 7.96 3.69 0.00 1.86 1.75 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.08 1.45 7.81 62 N 8.16 4.37 0.00 2.76 2.86 0.00 0.00 6.72 6.09 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 63 L 8.10 3.90 0.00 1.80 1.77 0.93 0.83 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 64 I 7.90 3.68 2.16 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 1.53 0.88 0.94 0.00 0.00 65 D 7.59 4.36 0.00 2.79 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 66 E 8.35 4.06 0.00 2.09 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 2.29 2.34 0.00 67 L 8.37 4.09 0.00 1.68 1.63 0.88 0.57 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 68 K 7.79 4.15 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.64 7.81 69 T 7.53 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 70 L 7.30 4.19 0.00 1.87 1.73 0.69 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.69 4.17 0.00 1.87 1.94 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 72 T 7.68 4.34 4.30 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 0.00 0.00 0.00 1.20 0.00 0.00 73 P 0.00 4.51 0.00 1.96 2.23 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 74 H 9.16 5.11 0.00 2.97 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.53 4.38 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 0.97 0.00 0.00 0.95 0.00 0.00 76 I 9.08 5.07 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.92 0.00 0.00 77 S 9.18 5.15 0.00 3.89 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 0.00 78 T 7.55 5.51 4.31 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 1.27 0.00 0.00 79 G 8.80 4.04 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 0.00 0.00 0.00 80 G 8.90 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 81 G 8.15 3.94 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 0.00 0.00 0.00 82 I 7.88 3.83 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 1.05 0.00 0.00 83 V 7.72 3.92 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 0.88 0.00 0.00 0.55 0.00 0.00 84 M 7.86 4.04 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 85 H 7.80 4.69 0.00 3.26 3.25 0.00 5.62 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 86 E 8.83 3.99 0.00 1.98 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 2.37 2.29 0.00 87 N 8.02 4.48 0.00 2.87 2.91 0.00 0.00 5.98 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 88 L 7.99 4.02 0.00 1.91 1.72 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.22 4.00 0.00 1.89 1.72 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 90 G 8.93 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 91 L 8.05 4.08 0.00 1.69 1.83 0.96 0.91 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 92 G 7.14 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 93 T 8.30 4.28 4.44 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 1.12 0.00 0.00 94 T 8.82 5.12 4.29 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 1.32 0.00 0.00 95 F 9.40 5.25 0.00 3.07 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 96 Y 9.07 4.91 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.73 4.30 0.00 1.68 1.57 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.71 3.62 0.00 0.94 1.57 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 99 M 8.55 5.21 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 100 D 8.71 4.71 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.65 3.28 0.00 1.71 2.70 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 0.00 102 E 8.02 3.69 0.00 2.04 1.91 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 2.40 2.46 0.00 103 T 8.30 3.78 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 1.19 0.00 0.00 104 L 7.75 3.91 0.00 1.86 1.56 0.69 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.44 3.44 1.38 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.69 0.00 0.00 106 K 7.55 3.79 0.00 1.87 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 107 R 8.19 4.04 0.00 1.99 1.94 0.00 3.17 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 108 L 7.92 4.22 0.00 1.64 1.69 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.11 4.49 0.00 2.82 2.77 0.00 0.00 7.11 7.24 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 0.00 110 Q 8.52 4.72 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.34 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 *119 L 7.62 4.10 0.00 1.76 1.81 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.62 4.33 0.00 3.08 3.26 0.00 0.00 5.99 6.96 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 0.00 121 N 6.48 3.37 0.00 2.93 3.13 0.00 0.00 6.01 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 0.00 122 L 7.38 4.58 0.00 1.84 2.02 0.93 0.69 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 0.00 123 T 7.92 3.83 4.30 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 0.00 0.00 0.00 1.20 0.00 0.00 124 Q 8.07 4.17 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 125 A 8.10 4.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 3.25 0.00 1.19 1.75 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.98 1.21 7.81 127 E 8.13 3.95 0.00 2.23 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 0.00 2.32 2.56 0.00 128 L 8.16 4.03 0.00 1.84 1.94 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.75 4.27 0.00 3.34 3.12 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 0.00 0.00 0.00 130 E 8.72 4.08 0.00 2.05 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 2.60 2.50 0.00 131 K 8.23 3.98 0.00 1.96 2.17 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.42 7.81 132 R 8.23 3.57 0.00 2.05 1.32 0.00 3.03 0.00 0.00 2.66 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 133 Q 8.34 3.78 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 134 A 7.78 3.91 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 0.00 135 L 7.14 3.78 0.00 1.24 1.42 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.27 4.20 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.14 4.00 0.00 1.99 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 2.55 2.45 0.00 138 K 7.99 3.93 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 139 N 7.48 4.71 0.00 2.77 2.81 0.00 0.00 6.89 7.20 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 0.00 140 A 7.00 4.70 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.55 4.13 0.00 3.49 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 0.00 142 F 7.79 5.01 0.00 2.92 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 0.00 143 I 8.71 4.98 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.72 0.98 0.00 0.00 144 I 8.87 4.47 1.96 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 1.13 1.03 0.89 0.00 0.00 145 D 9.37 4.67 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.87 4.42 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.22 3.95 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 148 G 8.02 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 0.00 0.00 0.00 149 G 7.83 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 0.00 0.00 0.00 150 L 8.49 3.87 0.00 1.65 1.65 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.07 4.31 0.00 2.73 2.81 0.00 0.00 6.68 6.92 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 0.00 152 N 8.03 4.25 0.00 2.80 2.89 0.00 0.00 7.22 7.25 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 0.00 153 S 8.10 4.00 0.00 4.00 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 0.00 154 L 8.36 3.77 0.00 1.79 1.74 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.11 3.80 0.00 1.89 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 156 Q 7.62 3.28 0.00 1.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 157 V 6.90 3.07 1.82 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 0.10 0.00 0.00 0.49 0.00 0.00 158 L 7.38 4.02 0.00 1.56 1.64 0.85 0.67 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 0.00 159 Q 7.78 4.13 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 160 F 8.19 4.52 0.00 2.58 1.53 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 * Residues marked with a * may have inaccurate shift predictions.