NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4831 8.1749 117.3743 63.6804 70.0780 172.9545 2 T 4.5760 8.9476 121.1210 60.0448 71.8617 171.4563 3 I 5.1304 9.2705 120.9369 59.2787 41.2546 174.6740 4 V 4.6569 8.8675 116.5936 59.9292 36.6209 174.4262 5 G 4.5620 8.5196 108.1311 44.7605 0.0000 172.2910 6 V 4.5936 9.1770 124.0052 61.0655 34.8313 174.5669 7 K 4.8341 8.8456 127.4798 55.8631 33.5520 175.9120 8 F 5.0946 8.1966 117.4525 54.3666 41.2727 175.2742 9 N 4.2422 9.1166 117.9638 55.8775 36.6671 174.9573 10 N 4.9843 8.1064 114.4960 52.0736 40.8752 174.5590 11 G 3.5788 6.3009 104.5955 45.1705 0.0000 172.8302 12 V 4.8816 7.8148 121.0082 60.4717 34.3854 174.4633 13 V 4.8168 9.2412 122.4859 60.0292 34.8382 174.3653 14 I 5.2102 8.2939 114.2466 59.5095 40.8570 173.7772 15 A 4.8821 8.8318 124.2519 51.0458 23.2152 174.3502 16 A 5.5356 8.4813 118.8614 52.3267 22.3366 175.6830 17 D 4.8011 8.5045 119.7377 52.3417 42.0122 176.4092 18 T 4.8742 8.1193 105.9089 60.4300 70.4894 172.8059 19 R 4.5326 8.2863 122.9793 56.0438 31.0337 175.3963 20 S 5.0087 9.0401 121.7488 56.8194 64.9123 172.7829 21 T 5.3900 8.3486 115.4409 60.5214 72.4585 173.5847 22 Q 4.2409 9.0263 120.4882 56.0973 30.9106 174.6013 23 G 3.9796 8.6410 114.3843 45.2549 0.0000 171.4089 24 P 4.6773 0.0000 0.0000 62.6319 31.9383 175.3204 25 I 4.2617 7.2664 120.8435 59.7319 38.5320 175.2387 26 V 4.0991 8.2797 124.7385 62.4894 31.2161 175.5997 27 A 4.1163 8.8382 131.6279 54.5701 18.6015 177.0389 28 D 4.8364 7.7701 114.4829 52.4984 43.7903 176.0173 29 K 4.2325 8.7145 124.6574 57.9074 33.1592 176.7702 30 N 5.2386 8.5968 117.7434 52.7520 37.9644 173.7892 31 C 4.5930 8.6628 116.1057 57.6182 32.5137 174.1788 32 A 4.6940 8.4766 122.7394 51.2565 19.1851 177.1680 33 K 4.3740 8.7764 120.9289 56.3430 33.8388 175.6464 34 L 5.0750 7.7615 121.1122 53.6459 42.8929 175.4210 35 H 4.9329 10.0942 122.3478 53.7962 31.7389 173.6857 36 R 3.2849 8.0015 122.7776 55.0665 30.8360 175.6307 37 I 4.0360 8.1975 126.5086 62.5939 38.4098 175.6061 38 S 4.6033 7.1959 112.2218 55.7687 66.1102 172.5363 39 P 4.3393 0.0000 0.0000 65.2791 31.1546 177.7301 40 K 4.7280 8.0201 113.6811 55.8658 32.7919 175.0944 41 I 4.7574 7.9129 120.5468 59.7019 39.7413 174.7247 42 W 5.1085 9.0241 126.6764 54.9673 32.2165 174.7578 43 C 5.4798 9.9789 122.0535 57.6825 34.8663 172.3381 44 A 5.1728 9.0805 127.1618 50.2024 20.8696 175.6135 45 G 4.6290 9.1000 109.8586 44.4405 0.0000 172.1384 46 A 4.8302 9.7271 123.7200 50.1896 22.8399 174.5659 47 G 4.1074 9.0372 102.9981 44.6670 0.0000 176.2176 48 T 4.0210 9.4389 123.5496 63.0750 68.4732 174.7925 49 A 4.0096 9.0303 129.5156 55.5274 18.1919 178.9103 50 A 3.9689 7.9884 118.3107 55.3012 18.3938 179.4692 51 D 4.2348 8.0103 117.1716 57.7269 40.9232 178.8980 52 T 3.7928 7.9842 110.3254 64.7186 68.5208 176.1608 53 E 3.7156 8.0805 121.4963 58.7591 29.6601 178.6399 54 A 3.9265 8.2298 121.3540 55.2761 18.6873 180.1126 55 V 3.4909 7.9343 117.7980 65.0861 31.2246 178.4020 56 T 3.8261 7.6872 113.5627 64.7023 67.1223 176.0721 57 Q 4.0107 7.6729 119.9969 57.8874 28.9732 177.8743 58 L 3.8420 7.9240 121.5169 58.3886 42.1831 179.2293 59 I 3.7689 7.6420 119.4883 64.0603 36.8882 178.6372 60 G 3.5456 7.6510 106.6786 47.7743 0.0000 175.4989 61 S 4.0558 8.4710 116.1688 61.3407 62.3690 176.1382 62 N 4.3815 8.2714 118.9918 56.2161 38.1005 177.5819 63 I 3.6784 8.2875 121.7423 64.1894 37.2096 177.9798 64 E 3.9127 8.3734 120.3139 59.3664 29.5213 178.8409 65 L 4.0346 7.9348 118.9804 58.1371 41.6941 179.0482 66 H 4.1430 8.5605 118.4173 59.1164 29.7671 177.2678 67 S 4.1220 8.4243 115.2646 61.4780 62.0552 176.1894 68 L 4.0213 7.7955 120.3149 58.0199 41.4297 178.6395 69 Y 4.0818 8.1468 118.8225 59.9246 38.7036 176.9646 70 T 4.4324 8.1904 108.5592 60.4719 69.3783 174.8810 71 S 3.9296 8.0860 116.5491 59.8150 61.1812 172.0927 72 R 4.7778 7.2160 116.5886 53.9433 33.5888 175.5715 73 E 4.1985 8.5130 119.2154 55.6162 30.1581 175.6474 74 P 4.4800 0.0000 0.0000 62.6379 32.3002 175.9811 75 R 4.8337 8.1617 119.7371 54.3080 32.5386 177.5514 76 V 3.5824 9.2743 121.8418 66.4337 31.4520 179.0002 77 V 3.7342 7.7717 111.0844 63.8989 31.2698 178.4772 78 S 4.1334 8.2037 115.4675 61.2142 62.7593 176.2770 79 A 3.9420 7.8858 123.0418 54.9736 18.1720 179.3021 80 L 3.8721 8.0178 118.8997 58.3388 42.2025 179.0610 81 Q 3.9649 8.0885 119.5916 59.3516 28.8965 177.9948 82 M 4.0588 8.2661 119.9618 58.2063 31.9042 178.7039 83 L 3.9829 8.1144 119.4646 57.7973 41.9244 179.8177 84 K 4.0379 8.1543 118.6450 60.1287 32.5968 179.0978 85 Q 4.1292 8.2080 119.1133 58.4829 28.4857 178.0649 86 H 4.2650 8.1277 119.4016 59.3628 29.8182 177.2430 87 L 4.0403 8.1007 119.7318 57.8060 41.7300 179.0106 88 F 4.0823 8.4235 120.5772 61.1017 39.1071 176.9761 89 K 3.8837 7.9067 117.9044 59.3785 32.1207 177.1783 90 Y 4.2120 7.5893 115.3950 57.4926 38.1997 175.9380 91 Q 2.8344 7.6658 117.9037 56.8695 26.8559 176.4174 *93 G 4.0236 7.7720 107.2240 45.5394 0.0000 175.1702 94 H 4.0750 8.6603 116.7426 57.7792 28.7633 175.6223 95 I 4.1991 6.9131 120.6381 59.5536 36.7388 176.6756 96 G 4.0369 8.7254 117.9571 45.8841 0.0000 170.3784 97 A 5.0549 7.3298 120.2542 50.4402 21.9752 177.2098 98 Y 4.4683 9.0156 119.7265 56.3144 41.0159 174.6604 99 L 5.3227 8.6726 123.5296 52.8737 45.5862 176.8053 100 I 4.5177 8.9106 122.9992 59.7102 39.4247 174.5365 101 V 4.7879 8.3772 126.8678 60.1596 33.1076 175.0995 102 A 4.8317 10.0242 126.0479 49.2589 23.3022 174.7945 103 G 4.6138 7.6418 108.1183 45.1862 0.0000 172.1764 104 V 4.5333 7.8090 113.0905 59.4364 34.5752 176.1302 105 D 4.2970 8.4375 121.7910 53.7845 39.1868 175.0072 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 T 8.17 4.48 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 1.23 0.00 0.00 2 T 8.95 4.58 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 1.22 0.00 0.00 3 I 9.27 5.13 1.91 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 1.38 0.70 0.95 0.00 0.00 4 V 8.87 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 5 G 8.52 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.18 4.59 2.15 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 1.08 0.00 0.00 0.96 0.00 0.00 7 K 8.85 4.83 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.20 5.09 0.00 3.17 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 9 N 9.12 4.24 0.00 2.89 3.14 0.00 0.00 5.69 8.04 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 10 N 8.11 4.98 0.00 2.72 2.97 0.00 0.00 6.79 7.98 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 11 G 6.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.81 4.88 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 0.69 0.00 0.00 1.00 0.00 0.00 13 V 9.24 4.82 2.22 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 1.04 0.00 0.00 0.94 0.00 0.00 14 I 8.29 5.21 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.97 0.00 0.00 15 A 8.83 4.88 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 16 A 8.48 5.54 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 17 D 8.50 4.80 0.00 2.69 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 18 T 8.12 4.87 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 1.22 0.00 0.00 19 R 8.29 4.53 0.00 1.88 2.05 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.04 5.01 0.00 3.92 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 21 T 8.35 5.39 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 9.03 4.24 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 23 G 8.64 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 0.00 0.00 0.00 24 P 0.00 4.68 0.00 2.18 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 25 I 7.27 4.26 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 1.18 0.85 0.91 0.00 0.00 26 V 8.28 4.10 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.84 4.12 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 28 D 7.77 4.84 0.00 2.67 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 29 K 8.71 4.23 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.42 7.81 30 N 8.60 5.24 0.00 2.69 2.69 0.00 0.00 7.15 7.41 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 31 C 8.66 4.59 0.00 3.06 3.21 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 32 A 8.48 4.69 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 33 K 8.78 4.37 0.00 1.74 2.03 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 34 L 7.76 5.07 0.00 1.58 1.85 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 H 10.09 4.93 0.00 3.03 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.00 3.28 0.00 0.67 1.14 0.00 3.07 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 37 I 8.20 4.04 1.96 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 1.27 0.62 0.85 0.00 0.00 38 S 7.20 4.60 0.00 3.92 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 39 P 0.00 4.34 0.00 2.12 2.27 0.00 3.64 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 2.06 2.15 0.00 40 K 8.02 4.73 0.00 1.93 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 I 7.91 4.76 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.00 0.00 0.00 42 W 9.02 5.11 0.00 3.31 3.21 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 43 C 9.98 5.48 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.08 5.17 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 45 G 9.10 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 46 A 9.73 4.83 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 47 G 9.04 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 0.00 0.00 0.00 48 T 9.44 4.02 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 1.25 0.00 0.00 49 A 9.03 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.99 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.01 4.23 0.00 2.91 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 52 T 7.98 3.79 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 1.32 0.00 0.00 53 E 8.08 3.72 0.00 2.15 2.12 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 2.31 2.34 0.00 54 A 8.23 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.93 3.49 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 0.92 0.00 0.00 56 T 7.69 3.83 4.41 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 1.11 0.00 0.00 57 Q 7.67 4.01 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 58 L 7.92 3.84 0.00 1.76 1.69 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.64 3.77 1.94 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 1.41 0.36 0.87 0.00 0.00 60 G 7.65 3.55 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 0.00 61 S 8.47 4.06 0.00 3.87 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 62 N 8.27 4.38 0.00 2.86 2.82 0.00 0.00 7.12 6.79 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 63 I 8.29 3.68 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.90 0.00 0.00 64 E 8.37 3.91 0.00 2.00 2.12 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 2.31 2.35 0.00 65 L 7.93 4.03 0.00 1.93 1.73 0.92 1.01 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 66 H 8.56 4.14 0.00 3.25 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.42 4.12 0.00 4.02 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 68 L 7.80 4.02 0.00 1.87 1.75 0.93 0.69 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 69 Y 8.15 4.08 0.00 3.08 3.02 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 70 T 8.19 4.43 4.26 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 1.19 0.00 0.00 71 S 8.09 3.93 0.00 4.02 3.96 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 72 R 7.22 4.78 0.00 1.89 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 73 E 8.51 4.20 0.00 1.97 1.90 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 2.33 2.29 0.00 74 P 0.00 4.48 0.00 2.05 1.99 0.00 3.66 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 2.03 2.13 0.00 75 R 8.16 4.83 0.00 1.85 1.87 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.27 3.58 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 1.05 0.00 0.00 1.04 0.00 0.00 77 V 7.77 3.73 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 0.74 0.00 0.00 0.93 0.00 0.00 78 S 8.20 4.13 0.00 3.97 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 79 A 7.89 3.94 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 80 L 8.02 3.87 0.00 1.89 1.84 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.09 3.96 0.00 2.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.27 4.06 0.00 2.06 2.10 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 2.75 2.53 0.00 83 L 8.11 3.98 0.00 1.88 1.72 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.15 4.04 0.00 2.02 2.14 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.55 7.81 85 Q 8.21 4.13 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 86 H 8.13 4.27 0.00 3.39 3.54 0.00 5.79 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 87 L 8.10 4.04 0.00 1.68 1.71 0.86 0.86 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 88 F 8.42 4.08 0.00 3.31 3.25 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 89 K 7.91 3.88 0.00 2.01 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.97 1.33 7.81 90 Y 7.59 4.21 0.00 2.95 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 91 Q 7.67 2.83 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.41 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.77 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 94 H 8.66 4.08 0.00 3.31 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.91 4.20 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.24 0.80 0.00 0.00 96 G 8.73 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 97 A 7.33 5.05 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 0.00 0.00 0.00 0.00 0.00 98 Y 9.02 4.47 0.00 3.10 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 99 L 8.67 5.32 0.00 1.51 1.58 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.91 4.52 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.96 0.00 0.00 101 V 8.38 4.79 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 0.72 0.00 0.00 0.96 0.00 0.00 102 A 10.02 4.83 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 0.00 103 G 7.64 4.61 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 0.00 0.00 0.00 104 V 7.81 4.53 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 0.72 0.00 0.00 0.96 0.00 0.00 105 D 8.44 4.30 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.