NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 K 4.2705 8.1685 122.1404 54.2308 33.9837 175.0470 4 A 5.3413 8.3653 121.5129 49.0922 23.5559 169.6553 5 V 4.9829 8.9434 117.5484 60.9685 35.7690 171.6189 6 C 4.9931 9.3249 122.3466 57.9646 35.5088 172.5856 7 V 4.6140 8.4569 125.8243 61.3900 33.1669 174.0853 8 L 4.9335 8.7819 129.1020 53.8697 43.1900 176.1920 9 K 5.0102 9.2017 122.0825 55.5315 37.0490 175.8584 10 G 4.1173 8.0346 109.1494 45.2648 0.0000 172.4287 11 D 4.6742 8.8417 119.2510 54.7146 42.2099 177.0239 12 G 4.3508 7.5630 109.3736 44.4184 0.0000 171.9354 13 P 4.3945 0.0000 0.0000 63.8637 32.1016 176.5198 14 V 4.1839 7.5799 120.6823 62.8504 32.1720 175.1086 15 Q 4.8110 8.9630 125.5148 54.7292 32.0669 174.2310 16 G 4.5130 8.9970 108.4515 45.1109 0.0000 171.3125 17 I 5.1382 8.5683 120.1867 59.3906 41.2016 174.8389 18 I 4.7527 8.8729 126.9895 59.5104 40.9617 174.2446 19 N 5.0271 8.5017 123.5969 51.3747 41.2567 173.8595 20 F 5.7863 9.0180 121.9531 55.2044 43.3407 176.0027 *21 E 4.1839 8.5630 114.2969 55.3096 31.5069 173.8638 *28 P 4.4723 0.0000 0.0000 62.4494 33.1609 175.4469 29 V 4.4435 8.9965 123.1855 61.2778 33.8646 174.6729 30 K 5.0503 8.8326 127.6956 55.7075 33.9049 175.9857 31 V 5.0346 9.3038 124.7331 59.6712 34.3736 174.6116 32 W 5.3354 8.1071 120.2752 55.0793 31.7776 175.0695 33 G 3.8901 7.9744 107.1440 46.4164 0.0000 170.9917 34 S 5.0799 7.7444 114.1321 56.8919 66.5214 174.3802 35 I 5.0476 8.9340 129.1864 60.1046 40.8717 175.3094 36 K 4.8452 9.1165 128.8424 53.9204 36.4084 174.9948 37 G 3.7560 8.8179 103.9310 47.1641 0.0000 173.5659 38 L 4.5153 7.7286 119.7288 52.8092 43.1841 176.4075 39 T 4.3157 8.1920 111.5799 61.0741 69.4862 173.9979 40 E 4.0571 8.7131 124.9464 57.7570 30.2770 175.0697 41 G 3.7467 8.4197 110.2827 43.9563 0.0000 172.3307 42 L 4.8381 8.1876 118.7723 54.6153 42.9810 176.5550 43 H 4.9917 9.2402 119.3984 53.6892 32.8445 173.3029 44 G 4.0743 9.2392 111.3696 47.0296 0.0000 172.4402 45 F 5.4739 9.1903 124.9134 57.0447 42.3923 172.9131 46 H 5.0932 8.8812 122.7433 54.0489 33.7788 172.6785 47 V 4.5688 8.4720 121.0501 62.2250 33.0081 175.0085 48 H 5.1116 9.2771 125.4461 54.3941 30.8698 175.9784 49 E 3.6400 8.9536 122.1895 59.0407 29.7168 177.0114 50 F 4.8965 8.0080 118.2993 55.0077 41.3583 176.9185 51 G 4.3476 8.2620 112.1680 44.1810 0.0000 174.2328 52 D 4.7548 7.8758 117.0839 52.6856 43.1465 174.2003 53 N 5.1041 8.5400 124.3425 53.4361 39.3686 176.0957 54 T 3.8650 8.6260 109.6579 63.7630 68.7648 174.5520 55 A 4.6654 7.8028 124.7486 51.3898 20.0394 177.6554 56 G 3.8716 7.9966 111.2409 47.3767 0.0000 174.8267 57 C 4.3555 8.6158 115.0370 59.9078 36.0154 175.8020 58 T 3.8806 7.9060 117.8237 66.4089 67.8960 175.6778 59 S 4.4917 7.6456 112.8420 59.2890 63.4611 175.4091 60 A 4.5301 7.5555 126.3469 54.2127 18.3583 178.7445 61 G 4.2792 8.0802 106.0683 44.2914 0.0000 170.1965 62 P 4.7565 0.0000 0.0000 62.0150 34.4924 174.9352 63 H 4.5884 8.4025 116.2662 55.7857 29.6198 175.5491 64 F 4.2824 8.9535 125.4450 58.1295 40.2090 175.2724 65 N 5.0973 7.9386 125.4614 51.8021 39.1380 173.0153 66 P 4.1684 0.0000 0.0000 65.2849 32.1031 177.8951 67 L 4.3015 7.6491 116.8544 53.7109 41.8053 176.3796 68 S 3.5916 7.4719 113.7683 59.6053 60.8098 171.9158 69 R 4.4317 8.0653 118.1772 54.7618 32.1399 176.5247 70 K 4.4477 8.7735 118.2680 55.8667 33.7612 176.5615 71 H 3.9600 8.6273 122.8787 56.7092 30.4998 174.6953 72 G 4.2494 7.4868 110.1781 45.0285 0.0000 172.1248 73 G 4.0765 9.3854 109.5226 43.6377 0.0000 173.2317 74 P 4.3653 0.0000 0.0000 65.2645 31.1110 177.4085 75 K 4.3260 7.8700 115.4559 56.4499 32.5916 176.2729 76 D 4.6578 7.6428 119.7338 53.3327 41.7725 176.3091 77 E 3.8780 8.7992 123.9170 59.0881 29.8966 176.7750 78 E 4.2438 7.9983 122.9585 55.4979 28.9336 174.8233 79 R 4.8115 7.6362 120.1990 55.9390 32.2660 174.5163 80 H 4.6173 9.0956 116.8364 55.2292 29.5037 176.9456 81 V 3.4344 8.3065 122.4942 66.4690 31.3276 177.1820 82 G 3.8907 8.2703 104.2897 47.0435 0.0000 173.4924 83 D 4.9415 8.2352 121.7251 53.1562 39.9709 175.6413 84 L 4.5709 8.3807 121.8761 52.9288 42.6914 178.1232 85 G 3.9851 8.4706 110.7066 46.9878 0.0000 175.0093 86 N 5.6188 8.7668 120.3444 51.3394 42.0171 173.1492 87 V 4.3622 8.6361 114.6612 60.0461 35.1404 174.8585 88 T 5.0075 8.2063 118.1851 61.8764 71.3331 172.9989 89 A 4.8164 8.9243 129.2670 50.7923 21.1124 177.1747 90 D 5.0106 8.6322 121.7439 51.8630 41.7189 177.0710 91 K 4.0889 8.5723 117.1502 60.1838 32.4132 177.1523 92 D 4.5558 8.4459 117.6407 54.0412 40.9067 177.2071 93 G 4.3640 8.7018 108.6596 44.5154 0.0000 172.7997 94 V 4.7218 7.7407 119.7245 60.8984 33.8693 174.1104 95 A 5.2530 9.0020 130.1141 49.5810 20.9207 175.0737 96 D 4.8783 8.6588 123.0687 54.1194 42.0084 176.2583 97 V 4.1943 8.7236 124.6806 61.2154 33.6792 174.8285 98 S 4.9247 8.5128 122.9296 57.6093 64.1567 172.7206 99 I 4.8542 9.3683 128.1090 59.3319 41.5481 174.1971 100 E 5.1759 8.8086 124.6853 54.5892 32.3763 174.4129 101 D 4.9160 9.6089 125.4784 52.8988 45.0013 175.6209 102 S 4.7779 8.9445 118.8954 58.4635 64.1758 174.9015 103 V 4.0342 8.0483 120.5135 64.5781 32.0662 176.3835 104 I 4.1070 8.0277 111.7451 61.0421 38.3981 174.5862 105 S 4.6589 8.4863 114.0938 57.4962 65.4314 174.0480 106 L 4.4887 8.2138 122.1955 54.0147 41.5978 176.0390 107 S 4.4211 7.8599 112.1489 58.5568 65.9479 175.6741 108 G 3.7810 8.4303 106.9250 44.8288 0.0000 173.0738 109 D 4.6248 8.5300 116.7011 56.0777 41.7939 177.4929 110 H 5.0604 8.0599 115.5553 55.8869 29.1283 173.8891 111 C 4.6379 7.7797 119.7647 59.6252 31.8236 173.3428 112 I 3.9777 8.0539 118.7103 60.2791 38.0697 175.5881 113 I 3.7167 7.3083 122.9549 62.9348 37.5739 176.3590 114 G 3.8207 9.4025 113.3586 45.3163 0.0000 172.8922 115 R 4.9430 7.4522 119.1817 54.7131 33.9116 174.3965 116 T 5.0028 8.0054 115.3321 62.1028 71.3776 173.6815 117 L 4.7391 8.6146 128.8202 54.2475 43.8489 175.4319 118 V 4.9719 9.0268 125.9418 60.9602 35.1254 174.2184 119 V 5.0579 8.6007 126.5055 60.4424 33.8000 174.6410 120 H 5.2968 9.0224 121.4561 54.1122 30.5422 174.6793 121 E 4.2059 9.2026 122.1089 59.0649 30.1278 176.3952 122 K 4.8283 8.5786 117.0078 53.8949 36.7536 175.5141 123 A 4.5383 8.3690 122.1511 52.2344 19.6005 176.3129 124 D 4.9743 9.6540 122.6304 53.6150 41.7623 175.8345 125 D 4.6337 9.3399 125.4242 52.9955 39.5334 176.7642 126 L 3.5603 9.9198 118.6577 56.1107 39.7237 175.9368 127 G 4.2550 8.7312 104.7393 45.8193 0.0000 174.6690 128 K 4.5000 7.9868 116.7936 56.0275 32.1938 177.3984 129 G 3.8176 7.8766 107.4946 45.1237 0.0000 174.5613 130 G 4.3391 8.3792 111.4450 45.5670 0.0000 174.2559 131 N 4.6002 7.6035 116.2636 51.6649 38.6919 175.2832 132 E 3.8937 8.8631 119.9471 59.5383 29.9528 178.7811 133 E 3.9532 8.2063 118.5271 59.1432 29.6480 178.3625 134 S 4.1064 8.0725 113.4487 61.5748 62.4471 175.7606 135 T 4.2358 7.9218 109.8954 62.8165 68.4043 175.5836 136 K 4.3136 7.6883 120.1484 57.7294 34.3681 176.6856 137 T 4.1025 7.8201 105.8039 60.0326 70.0969 174.9840 138 G 3.7467 8.1915 110.0711 45.8188 0.0000 173.6138 139 N 4.2847 7.9049 114.2986 53.9861 36.7184 175.6918 140 A 4.2287 6.9955 118.2680 51.9690 19.2476 179.9991 141 G 3.8306 7.4184 103.9076 45.0575 0.0000 173.2794 142 S 4.5325 8.8566 116.3289 58.2288 65.2515 173.8342 143 R 4.5425 8.3190 119.1317 54.9457 30.1714 176.6200 144 L 4.3468 8.9009 125.5843 57.2329 43.1278 177.0757 145 A 4.9344 7.7224 118.0326 51.2684 22.9299 173.9420 146 C 5.3927 8.3674 113.6065 55.8690 46.8619 172.6214 147 G 4.6339 8.0400 103.1385 46.2697 0.0000 172.6931 148 V 4.5157 8.3497 121.2474 61.9656 32.9555 175.6336 149 I 4.0574 8.9359 129.4782 61.1762 37.7934 175.2774 150 G 4.4151 9.0453 114.9402 43.8239 0.0000 172.0681 151 I 4.2206 8.3502 121.9012 61.2505 37.6420 175.4418 152 A 4.7903 8.5106 127.8380 49.6959 22.1623 176.2993 153 Q 4.0698 8.4741 118.6314 56.4799 29.2251 175.7960 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 *3 K 8.17 4.27 0.00 1.65 1.74 0.00 1.48 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 4 A 8.37 5.34 1.14 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 5 V 8.94 4.98 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 0.73 0.00 0.00 0.90 0.00 0.00 6 C 9.32 4.99 0.00 3.11 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 7 V 8.46 4.61 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.78 4.93 0.00 1.84 1.58 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.20 5.01 0.00 1.64 1.63 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 8.03 4.12 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 0.00 0.00 0.00 11 D 8.84 4.67 0.00 2.68 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 12 G 7.56 4.35 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 0.00 13 P 0.00 4.39 0.00 2.18 2.17 0.00 3.76 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 2.08 1.94 0.00 14 V 7.58 4.18 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 0.82 0.00 0.00 0.96 0.00 0.00 15 Q 8.96 4.81 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 16 G 9.00 4.51 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 0.00 17 I 8.57 5.14 1.82 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 1.20 1.23 0.82 0.00 0.00 18 I 8.87 4.75 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.47 0.00 0.00 19 N 8.50 5.03 0.00 1.44 1.42 0.00 0.00 6.50 8.57 0.00 0.00 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 9.02 5.79 0.00 2.84 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 *21 E 8.56 4.18 0.00 1.73 1.76 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 2.13 2.40 0.00 *28 P 0.00 4.47 0.00 1.99 2.09 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 29 V 9.00 4.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.06 0.00 0.00 30 K 8.83 5.05 0.00 1.96 1.86 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.48 7.81 31 V 9.30 5.03 1.96 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 1.02 0.00 0.00 0.76 0.00 0.00 32 W 8.11 5.34 0.00 3.50 3.22 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 33 G 7.97 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 0.00 0.00 0.00 34 S 7.74 5.08 0.00 3.89 3.62 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 35 I 8.93 5.05 1.79 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 1.06 0.48 0.87 0.00 0.00 36 K 9.12 4.85 0.00 1.35 1.63 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.22 7.81 37 G 8.82 3.76 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 0.00 0.00 0.00 38 L 7.73 4.52 0.00 1.82 1.44 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.19 4.32 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 1.24 0.00 0.00 40 E 8.71 4.06 0.00 1.95 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 2.30 2.37 0.00 41 G 8.42 3.75 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 0.00 0.00 0.00 42 L 8.19 4.84 0.00 1.49 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.24 4.99 0.00 3.01 3.31 0.00 5.63 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 44 G 9.24 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 45 F 9.19 5.47 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.88 5.09 0.00 3.13 2.97 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.47 4.57 2.13 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 0.92 0.00 0.00 0.88 0.00 0.00 48 H 9.28 5.11 0.00 3.06 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.95 3.64 0.00 1.61 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 1.47 2.07 0.00 50 F 8.01 4.90 0.00 3.03 2.85 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 51 G 8.26 4.35 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 0.00 52 D 7.88 4.75 0.00 2.61 2.79 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 53 N 8.54 5.10 0.00 2.81 2.70 0.00 0.00 6.89 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 54 T 8.63 3.86 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 1.26 0.00 0.00 55 A 7.80 4.67 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.00 3.87 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 0.00 0.00 0.00 57 C 8.62 4.36 0.00 2.96 3.11 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 58 T 7.91 3.88 4.43 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 1.23 0.00 0.00 59 S 7.65 4.49 0.00 4.09 3.98 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 0.00 0.00 0.00 60 A 7.56 4.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.08 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 0.00 0.00 0.00 0.00 62 P 0.00 4.76 0.00 2.04 2.20 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 H 8.40 4.59 0.00 2.79 3.16 0.00 5.73 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 64 F 8.95 4.28 0.00 2.93 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 65 N 7.94 5.10 0.00 2.61 2.45 0.00 0.00 6.94 7.71 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 66 P 0.00 4.17 0.00 2.06 1.96 0.00 2.95 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 1.48 1.18 0.00 67 L 7.65 4.30 0.00 1.56 1.67 0.91 0.91 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 68 S 7.47 3.59 0.00 3.96 3.87 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 69 R 8.07 4.43 0.00 1.87 1.99 0.00 3.44 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 70 K 8.77 4.45 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.25 7.81 71 H 8.63 3.96 0.00 3.18 3.27 0.00 5.94 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 72 G 7.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.39 4.08 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 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.22 2.26 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 75 K 7.87 4.33 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 76 D 7.64 4.66 0.00 2.83 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 77 E 8.80 3.88 0.00 1.91 1.96 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 2.28 2.23 0.00 78 E 8.00 4.24 0.00 2.06 1.81 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 2.32 2.30 0.00 79 R 7.64 4.81 0.00 1.81 1.77 0.00 2.70 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 80 H 9.10 4.62 0.00 3.44 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.31 3.43 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.40 0.00 0.00 82 G 8.27 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 0.00 0.00 0.00 83 D 8.24 4.94 0.00 2.65 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 84 L 8.38 4.57 0.00 1.76 1.89 0.89 0.93 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 85 G 8.47 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 0.00 0.00 0.00 86 N 8.77 5.62 0.00 2.60 2.71 0.00 0.00 6.64 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 87 V 8.64 4.36 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 0.82 0.00 0.00 88 T 8.21 5.01 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 1.20 0.00 0.00 89 A 8.92 4.82 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 90 D 8.63 5.01 0.00 2.91 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 91 K 8.57 4.09 0.00 1.86 1.99 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.53 7.81 92 D 8.45 4.56 0.00 2.83 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 93 G 8.70 4.36 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 94 V 7.74 4.72 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 1.00 0.00 0.00 0.92 0.00 0.00 95 A 9.00 5.25 1.16 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 0.00 0.00 96 D 8.66 4.88 0.00 2.56 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 97 V 8.72 4.19 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 0.82 0.00 0.00 0.59 0.00 0.00 98 S 8.51 4.92 0.00 3.90 3.72 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 I 9.37 4.85 1.99 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 1.18 0.58 1.03 0.00 0.00 100 E 8.81 5.18 0.00 1.96 1.81 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 2.21 2.31 0.00 101 D 9.61 4.92 0.00 2.82 2.51 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 0.00 102 S 8.94 4.78 0.00 3.89 3.87 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 0.00 103 V 8.05 4.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 104 I 8.03 4.11 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 1.06 0.00 0.00 105 S 8.49 4.66 0.00 3.85 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 0.00 106 L 8.21 4.49 0.00 1.68 1.64 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.42 0.00 3.93 3.80 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 0.00 108 G 8.43 3.78 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 0.00 0.00 0.00 109 D 8.53 4.62 0.00 2.66 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 0.00 110 H 8.06 5.06 0.00 3.27 3.39 0.00 5.69 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 0.00 111 C 7.78 4.64 0.00 3.00 2.85 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 0.00 112 I 8.05 3.98 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.23 1.02 0.00 0.00 113 I 7.31 3.72 1.78 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 1.24 0.74 0.83 0.00 0.00 114 G 9.40 3.82 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 0.00 0.00 0.00 115 R 7.45 4.94 0.00 1.57 1.90 0.00 2.21 0.00 0.00 2.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.25 0.00 116 T 8.01 5.00 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 1.22 0.00 0.00 117 L 8.61 4.74 0.00 1.81 1.55 0.46 0.71 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 0.00 118 V 9.03 4.97 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 0.77 0.00 0.00 0.75 0.00 0.00 119 V 8.60 5.06 2.27 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 0.76 0.00 0.00 0.97 0.00 0.00 120 H 9.02 5.30 0.00 3.32 3.55 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.20 4.21 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 2.37 2.34 0.00 122 K 8.58 4.83 0.00 1.69 1.66 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 A 8.37 4.54 1.24 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 0.00 0.00 124 D 9.65 4.97 0.00 2.79 2.79 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 0.00 125 D 9.34 4.63 0.00 2.92 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 0.00 126 L 9.92 3.56 0.00 1.85 1.84 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.73 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.99 4.50 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 129 G 7.88 3.82 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 0.00 0.00 0.00 130 G 8.38 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 0.00 0.00 0.00 0.00 131 N 7.60 4.60 0.00 2.88 2.96 0.00 0.00 5.83 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 0.00 132 E 8.86 3.89 0.00 2.02 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 2.31 0.00 133 E 8.21 3.95 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 134 S 8.07 4.11 0.00 4.06 3.98 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 0.00 0.00 0.00 135 T 7.92 4.24 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 1.21 0.00 0.00 136 K 7.69 4.31 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.33 1.45 7.81 137 T 7.82 4.10 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 1.21 0.00 0.00 138 G 8.19 3.75 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 0.00 0.00 0.00 139 N 7.90 4.28 0.00 2.88 2.89 0.00 0.00 6.92 8.87 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 0.00 140 A 7.00 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.42 3.83 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 0.00 0.00 0.00 142 S 8.86 4.53 0.00 3.93 4.06 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 0.00 143 R 8.32 4.54 0.00 1.68 1.84 0.00 3.24 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 144 L 8.90 4.35 0.00 1.60 1.70 0.97 0.53 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 0.00 145 A 7.72 4.93 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 0.00 146 C 8.37 5.39 0.00 3.01 3.13 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 0.00 147 G 8.04 4.63 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 0.00 0.00 0.00 148 V 8.35 4.52 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 0.81 0.00 0.00 0.93 0.00 0.00 149 I 8.94 4.06 1.79 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 1.02 0.34 0.40 0.00 0.00 150 G 9.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.35 4.22 1.85 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 1.25 0.54 0.91 0.00 0.00 152 A 8.51 4.79 1.21 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 0.00 153 Q 8.47 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.