NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5516 8.3001 120.3306 53.1031 35.7869 177.2831 2 A 3.9914 7.1708 127.5617 51.4328 23.3930 174.7595 3 E 4.9909 9.7646 119.0655 57.7146 31.1443 173.2276 4 S 4.3143 8.0484 113.7308 61.0634 62.2298 170.7033 5 H 4.3856 8.5069 119.0859 55.5586 36.7725 175.0368 6 R 3.1779 6.6894 119.2253 54.5673 30.3149 175.7658 7 L 4.8905 7.9231 121.0902 53.7141 44.7101 176.5580 8 Y 4.6223 8.6574 118.9116 57.2549 38.0541 176.7726 9 V 3.6639 8.0687 129.1579 62.5451 32.2154 168.7637 10 K 4.9481 7.6230 126.7611 54.0037 37.0784 174.9628 11 G 4.0884 8.0034 106.7915 46.0084 0.0000 171.8957 12 K 5.0420 8.6151 118.0934 54.7062 34.8229 175.4337 13 H 5.0110 8.1840 119.2235 55.0174 29.8152 176.4505 14 L 4.2988 8.8762 124.4763 56.2008 42.1809 177.9754 15 S 5.1392 7.3119 116.2607 58.3845 64.8381 175.5386 16 Y 4.8676 8.4979 119.8182 56.3661 40.4451 174.8816 17 Q 4.4449 8.8309 123.5178 54.4939 31.1450 175.1153 18 R 5.1338 8.6586 124.4799 53.7855 30.1772 175.2781 19 S 4.8004 8.3669 117.0408 56.4566 65.8510 172.7862 20 K 4.6649 8.2647 122.5116 54.2213 35.8763 174.7820 21 R 3.6112 8.1368 119.5284 54.6838 31.6279 175.7934 22 V 4.0512 8.0128 120.1220 63.0020 29.7834 174.1252 23 N 5.0409 8.0070 121.7196 54.3277 45.7332 175.5175 24 N 4.6966 7.8993 115.0458 52.3407 39.0931 171.8503 25 P 4.8738 0.0000 0.0000 61.9606 32.4104 174.3961 26 N 4.5501 7.2094 112.2371 51.8899 43.1205 173.4837 27 V 4.6191 8.3417 122.2541 61.1733 35.9734 174.2489 28 S 4.4847 8.8140 118.9913 56.4832 66.4805 172.5079 29 L 4.9941 8.6151 123.2877 53.0890 44.1409 175.4881 30 I 4.8774 8.4312 122.9875 59.3293 41.4428 174.6282 31 K 4.8469 8.7808 126.7970 54.4152 34.6185 175.3539 32 I 4.2991 8.3469 121.4660 60.1343 38.6599 175.6338 33 E 4.0295 8.4342 124.6994 59.0115 29.8134 177.3541 34 G 3.8112 7.4959 103.4572 48.2160 0.0000 174.8817 35 V 2.9950 6.4551 110.8354 60.9788 35.8998 178.1281 36 A 4.2146 8.3777 117.1718 52.7977 15.4970 177.7103 37 T 3.1284 6.9304 108.6520 65.8112 68.5289 175.2056 38 P 3.7700 0.0000 0.0000 65.9409 32.5454 177.8044 39 Q 4.1795 8.4996 117.9447 59.3142 28.4261 178.7235 40 D 4.1174 7.8528 117.6434 57.1732 40.8869 178.3994 41 A 4.1886 7.7424 120.0426 55.4891 18.7561 179.3963 42 Q 3.9638 7.9745 115.9465 59.0412 28.6222 178.7318 43 F 4.3386 7.7428 114.9615 58.9948 39.0011 175.3699 44 Y 4.4218 7.9864 116.3790 58.6918 40.3373 176.1752 45 L 4.3019 7.9362 119.9160 54.7889 41.4688 175.8270 46 G 3.4012 8.0099 118.1610 45.2706 0.0000 172.4535 47 K 4.6842 7.4762 119.6748 54.7600 35.4181 177.3486 48 R 4.8185 8.6499 123.5909 55.0208 31.5892 175.5098 49 I 4.3740 8.0919 123.6659 59.3753 40.1567 173.8251 50 A 4.5856 8.1189 131.9142 50.2600 21.0684 174.7128 51 Y 5.0759 7.9567 122.8261 56.8487 41.1288 176.3833 *52 V 4.2623 8.5803 124.8710 61.6957 33.2142 174.3398 *53 Y 4.5888 7.9408 128.8253 56.1077 38.6941 175.1197 *54 R 4.6034 8.2723 121.9557 52.7679 33.8732 171.9737 55 A 4.1371 8.6077 121.3494 54.2260 18.1404 178.0228 *56 S 4.6462 8.6026 121.1075 56.9674 66.2757 171.8306 *57 K 5.0984 7.6196 133.0522 54.7622 35.4097 171.2455 *58 E 4.7077 7.0626 125.2604 55.9574 31.1785 178.3660 *59 V 4.0906 8.5071 118.6373 63.1655 31.9044 173.3255 *60 R 4.6384 8.2520 123.5526 52.9597 31.8968 173.3127 61 G 3.6701 8.3955 108.8665 46.8777 0.0000 174.2346 *62 S 4.3862 8.3926 125.3158 57.3672 61.3723 172.5957 *63 K 4.7997 8.0917 126.6668 52.1058 35.9868 174.4352 64 I 4.2791 8.0822 119.4012 61.8794 36.3395 178.0418 65 R 4.5442 7.5213 117.6831 54.5131 31.6870 175.7664 66 V 4.2800 8.3809 124.6389 62.0202 32.9247 174.7534 67 M 4.8742 8.3938 126.9288 53.3686 35.0912 174.8598 68 W 4.7956 8.7405 121.0833 55.1810 32.7231 175.1087 69 G 4.0591 8.4838 114.0366 45.3464 0.0000 172.0776 70 K 5.0023 8.1335 117.4365 55.2051 36.4130 175.8184 71 V 4.0208 8.1201 123.9774 62.8040 31.6219 175.9163 72 T 4.1639 8.4426 119.2092 64.2234 69.0223 174.9252 73 R 4.7820 7.5309 120.2145 54.1948 34.7090 174.0709 74 T 4.4098 8.5955 114.5935 62.7535 70.0542 174.3692 *75 H 4.6395 8.8321 121.5649 55.6147 30.7571 172.0975 76 G 3.9893 9.9914 115.4457 44.0653 0.0000 175.8505 *77 N 4.5101 8.0027 119.1410 54.0692 37.6181 179.2052 *78 S 4.7979 8.2315 111.5115 53.7563 64.6521 174.7124 79 G 4.1374 8.4588 120.3464 43.8437 0.0000 174.7976 80 V 3.9499 8.5641 120.1170 63.5038 32.5886 174.2816 81 V 4.6432 8.6164 117.5802 59.9222 36.1975 174.6182 82 R 4.7766 8.8575 121.8103 55.6862 32.1761 175.3913 83 A 4.7914 8.5680 122.5094 51.2102 23.3908 174.9589 84 T 5.0496 8.2758 107.7837 60.3051 72.1541 173.5389 85 F 4.7819 8.7457 120.3545 56.1152 42.7826 174.9598 86 R 4.4615 8.6819 123.2270 58.1299 32.0408 177.7036 87 N 5.1005 7.7355 120.8335 52.7743 38.0157 176.5133 88 N 4.9807 8.7180 115.3098 51.5262 41.8246 173.6247 89 L 4.3998 8.4578 123.5465 53.0331 42.8946 175.6597 90 P 4.3220 0.0000 0.0000 62.2000 31.8986 175.1001 91 A 4.0514 8.3356 122.3562 52.8173 19.0111 178.2110 92 K 3.5925 8.3204 123.7790 57.9715 29.3174 174.8765 93 T 4.0788 6.8482 103.0679 60.9398 69.6094 175.7116 94 F 3.8640 6.7009 116.8706 58.2893 37.6258 173.5416 95 G 3.9582 8.5896 113.5821 43.8712 0.0000 173.5477 96 A 3.4414 6.6350 123.5480 47.9617 20.9155 176.8772 97 S 4.3643 8.2137 114.7389 57.9160 64.1203 174.3107 98 V 3.9695 8.4304 123.5845 60.7660 33.0519 174.7786 99 R 5.0961 7.5885 125.4161 56.0790 32.1856 174.8806 100 I 4.8365 7.8352 119.3125 60.9020 37.4750 175.8562 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 M 8.30 4.55 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 A 7.17 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.76 4.99 0.00 2.04 2.46 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 2.27 2.41 0.00 4 S 8.05 4.31 0.00 3.96 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 5 H 8.51 4.39 0.00 3.10 3.14 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 6.69 3.18 0.00 1.62 1.49 0.00 3.11 0.00 0.00 2.83 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 7 L 7.92 4.89 0.00 1.61 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.66 4.62 0.00 2.82 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 0.00 0.00 0.00 9 V 8.07 3.66 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 0.80 0.00 0.00 1.12 0.00 0.00 10 K 7.62 4.95 0.00 1.70 1.63 0.00 2.02 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.26 7.81 11 G 8.00 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.62 5.04 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.51 7.81 13 H 8.18 5.01 0.00 3.26 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.88 4.30 0.00 1.59 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.31 5.14 0.00 3.77 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 16 Y 8.50 4.87 0.00 2.85 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 17 Q 8.83 4.44 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 18 R 8.66 5.13 0.00 1.70 1.94 0.00 3.31 0.00 0.00 2.53 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 19 S 8.37 4.80 0.00 3.82 3.68 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 20 K 8.26 4.66 0.00 1.73 1.68 0.00 1.91 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.37 7.81 21 R 8.14 3.61 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 22 V 8.01 4.05 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 0.86 0.00 0.00 0.94 0.00 0.00 23 N 8.01 5.04 0.00 2.70 2.74 0.00 0.00 7.20 8.00 0.00 0.00 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 N 7.90 4.70 0.00 2.64 2.74 0.00 0.00 6.75 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 25 P 0.00 4.87 0.00 2.06 2.00 0.00 3.83 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 1.89 1.96 0.00 26 N 7.21 4.55 0.00 2.68 2.77 0.00 0.00 6.24 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 27 V 8.34 4.62 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 1.01 0.00 0.00 0.92 0.00 0.00 28 S 8.81 4.48 0.00 2.72 2.63 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 29 L 8.62 4.99 0.00 1.68 1.59 0.97 0.47 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 30 I 8.43 4.88 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 1.09 0.00 0.00 31 K 8.78 4.85 0.00 1.81 1.64 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 32 I 8.35 4.30 1.87 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 1.31 0.69 0.95 0.00 0.00 33 E 8.43 4.03 0.00 1.96 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 2.31 2.25 0.00 34 G 7.50 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 35 V 6.46 2.99 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 0.41 0.00 0.00 0.81 0.00 0.00 36 A 8.38 4.21 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 37 T 6.93 3.13 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 1.21 0.00 0.00 38 P 0.00 3.77 0.00 2.27 2.35 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 39 Q 8.50 4.18 0.00 2.25 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 40 D 7.85 4.12 0.00 2.63 2.53 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 41 A 7.74 4.19 1.36 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 42 Q 7.97 3.96 0.00 1.49 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 43 F 7.74 4.34 0.00 2.53 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 44 Y 7.99 4.42 0.00 3.37 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 45 L 7.94 4.30 0.00 1.78 1.85 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.01 3.40 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 0.00 47 K 7.48 4.68 0.00 1.75 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 48 R 8.65 4.82 0.00 1.83 2.07 0.00 3.21 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 49 I 8.09 4.37 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.91 1.12 0.00 0.00 50 A 8.12 4.59 0.61 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 51 Y 7.96 5.08 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 *52 V 8.58 4.26 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 0.68 0.00 0.00 0.93 0.00 0.00 *53 Y 7.94 4.59 0.00 2.10 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 0.00 0.00 0.00 *54 R 8.27 4.60 0.00 1.76 1.68 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 55 A 8.61 4.14 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 S 8.60 4.65 0.00 3.58 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 *57 K 7.62 5.10 0.00 1.80 1.65 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.03 7.81 *58 E 7.06 4.71 0.00 1.87 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 2.23 1.85 0.00 *59 V 8.51 4.09 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 0.86 0.00 0.00 0.93 0.00 0.00 *60 R 8.25 4.64 0.00 1.80 1.72 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 61 G 8.40 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 0.00 0.00 0.00 *62 S 8.39 4.39 0.00 3.64 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 *63 K 8.09 4.80 0.00 1.71 1.55 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 0.98 7.81 64 I 8.08 4.28 1.90 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 1.48 1.01 0.94 0.00 0.00 65 R 7.52 4.54 0.00 1.89 2.09 0.00 2.96 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 66 V 8.38 4.28 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 0.41 0.00 0.00 0.95 0.00 0.00 67 M 8.39 4.87 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 68 W 8.74 4.80 0.00 3.05 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 69 G 8.48 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 0.00 0.00 0.00 70 K 8.13 5.00 0.00 1.53 1.64 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.34 7.81 71 V 8.12 4.02 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 0.87 0.00 0.00 1.03 0.00 0.00 72 T 8.44 4.16 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 1.20 0.00 0.00 73 R 7.53 4.78 0.00 1.75 1.80 0.00 3.11 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 74 T 8.60 4.41 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 1.21 0.00 0.00 *75 H 8.83 4.64 0.00 2.65 2.83 0.00 7.17 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 76 G 9.99 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 *77 N 8.00 4.51 0.00 2.87 2.83 0.00 0.00 6.65 7.52 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 *78 S 8.23 4.80 0.00 3.55 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 79 G 8.46 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 80 V 8.56 3.95 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 0.89 0.00 0.00 0.93 0.00 0.00 81 V 8.62 4.64 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 0.90 0.00 0.00 1.04 0.00 0.00 82 R 8.86 4.78 0.00 1.76 1.82 0.00 3.10 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 83 A 8.57 4.79 1.34 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 84 T 8.28 5.05 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 85 F 8.75 4.78 0.00 3.11 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 86 R 8.68 4.46 0.00 1.76 1.95 0.00 2.66 0.00 0.00 2.82 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 87 N 7.74 5.10 0.00 2.81 2.43 0.00 0.00 6.73 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 N 8.72 4.98 0.00 2.76 2.72 0.00 0.00 6.76 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 89 L 8.46 4.40 0.00 1.53 1.41 0.69 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.32 0.00 1.95 1.98 0.00 3.65 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 2.07 0.00 91 A 8.34 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.32 3.59 0.00 1.58 1.35 0.00 1.78 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.38 7.81 93 T 6.85 4.08 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 1.06 0.00 0.00 94 F 6.70 3.86 0.00 3.17 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 95 G 8.59 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 0.00 0.00 0.00 96 A 6.63 3.44 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 97 S 8.21 4.36 0.00 3.94 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 98 V 8.43 3.97 1.74 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 1.13 0.00 0.00 0.37 0.00 0.00 99 R 7.59 5.10 0.00 2.12 1.97 0.00 3.14 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 1.52 1.39 0.00 100 I 7.84 4.84 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 1.30 1.78 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.