NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1619 8.2531 123.5808 51.8152 20.8216 176.2648 3 G 3.5502 7.9750 111.5144 45.1824 0.0000 171.1589 4 D 4.3987 9.1838 127.6538 53.7132 42.5726 175.3705 5 T 4.1407 8.4764 119.7164 64.3413 68.8618 173.6076 6 T 5.1256 8.3246 116.7168 60.1997 71.9103 173.0926 7 I 4.6973 8.2278 114.4320 60.3045 41.6631 173.4595 8 T 5.1543 8.3088 117.8036 61.9342 72.1592 174.1212 9 V 4.4663 8.9892 124.5620 61.5250 35.2917 173.5076 10 V 4.7766 8.1580 127.2250 61.1114 33.8961 175.7983 11 G 4.0805 7.8893 113.6885 46.1481 0.0000 171.5531 12 N 6.1446 7.9620 117.3952 50.3250 43.7934 173.9816 13 L 4.7545 8.3850 121.4018 54.8512 42.2509 178.2666 14 T 4.0562 8.6956 114.7343 64.1387 69.5055 174.0979 15 A 4.7511 7.7395 122.3438 49.8593 22.9631 174.8073 16 D 4.5284 8.4473 118.5615 53.8899 41.3649 174.6942 17 P 4.6422 0.0000 0.0000 63.0954 32.1393 175.8043 18 E 4.2275 9.1091 125.2423 55.7302 30.4537 175.3645 19 L 4.6579 8.3965 127.6534 53.5432 43.4545 175.4512 20 R 4.6363 8.5138 124.5331 54.3566 34.8277 174.0051 21 F 5.9945 8.5780 116.9423 54.8811 43.2415 175.4109 22 T 4.3234 8.6279 111.1323 60.3603 69.7137 173.6785 23 P 4.2963 0.0000 0.0000 65.8438 31.0030 177.3902 24 S 4.3418 7.9135 110.9134 58.1598 63.6187 174.4126 25 G 4.1819 8.0440 110.5883 45.3357 0.0000 173.3295 26 A 4.4941 8.4658 122.5481 51.2798 19.9848 177.4244 27 A 4.4007 8.8037 124.8120 51.2827 20.4800 176.3356 28 V 4.0971 8.2846 122.3230 60.7846 34.5786 173.9364 29 A 5.0556 8.3472 129.8050 50.4208 21.6110 175.0735 30 N 5.2863 8.6653 119.1028 51.7163 42.3073 173.6029 31 F 5.0768 8.0981 114.7331 56.7523 41.9864 172.6376 32 T 5.1835 8.4348 108.8420 59.9496 72.4507 172.5691 33 V 4.9299 8.6901 123.1802 61.2486 34.2496 174.0922 34 A 4.4988 8.8961 130.4241 50.9199 20.2075 176.1130 35 S 4.8657 8.3829 120.2653 57.2523 64.3288 174.3046 36 T 4.3330 8.2703 116.5978 59.9785 69.7101 173.2601 37 P 4.7081 0.0000 0.0000 62.3637 33.7284 174.3973 38 R 5.3077 8.2137 120.0811 55.5994 34.4306 175.1327 39 M 4.3493 8.5737 117.5834 54.3851 36.3494 172.3992 40 F 4.0548 8.2975 117.3114 57.9604 38.8484 175.9758 41 D 4.1703 8.3615 120.9776 52.6250 41.3939 173.7072 42 R 4.0894 8.5898 125.3442 57.4429 30.3466 175.5979 43 Q 3.3533 9.2692 121.6146 56.5069 24.4555 168.6644 44 S 3.6530 8.7633 124.4451 57.2508 62.1575 170.2831 45 G 3.1958 8.8622 113.7812 43.9238 0.0000 174.3387 46 E 4.2091 8.3703 124.2675 56.8335 30.5167 173.1693 47 W 5.3593 7.7741 131.1637 56.7149 34.1277 174.2281 *48 K 4.7513 9.5654 129.0013 53.5129 35.8875 174.1351 49 D 4.8486 9.0469 123.4238 53.9415 41.8084 178.5145 50 G 4.1410 8.5789 108.4983 45.9366 0.0000 178.1253 *51 E 4.8503 9.2671 126.7168 54.4935 28.7813 176.2790 52 A 4.3657 9.0761 119.2330 54.0832 26.3000 175.2171 53 L 3.2282 7.7819 122.3060 55.5469 40.5271 173.0297 54 F 5.1696 8.6024 124.7091 55.8580 40.4157 174.9476 55 L 4.5255 8.5551 125.1683 52.9611 43.3356 176.2531 56 R 4.3714 8.6015 125.6438 56.3414 31.3333 174.6245 57 C 5.2346 9.0128 124.9109 57.7091 31.3192 172.8231 58 N 5.1947 8.5732 119.9632 51.0687 40.5499 173.1003 59 I 5.1153 8.5141 119.7812 59.4647 41.9236 173.5297 60 W 4.9662 8.5605 124.1978 54.6864 33.3826 176.5068 61 R 3.8445 8.8974 119.8877 57.1633 29.1887 178.8549 62 E 4.1230 8.9730 119.7440 60.5194 29.5521 178.5995 63 A 4.0131 8.1791 120.0435 55.0791 18.3679 179.2640 64 A 3.9450 7.7494 118.2315 55.5869 18.4323 179.8533 65 E 4.0212 8.0078 116.3448 59.2114 29.5629 179.4189 66 N 4.3613 8.4402 117.3169 55.9566 38.6832 177.3192 67 V 3.5138 8.1297 119.9035 66.2094 31.3294 177.9426 68 A 3.9467 7.6782 118.7523 55.1685 18.2768 178.8972 69 E 3.9978 7.9130 116.6352 58.9249 29.7839 178.3485 70 S 4.5413 7.6903 112.7343 57.6765 64.2659 174.1619 71 L 4.7505 7.5636 121.0962 52.8697 44.2313 175.3870 72 T 5.1944 8.4162 110.4368 57.9392 72.1027 172.9868 73 R 4.1682 8.4544 120.6935 58.5126 30.0518 175.8635 74 G 4.0177 9.3738 114.1275 45.2005 0.0000 173.8256 75 S 4.1317 7.9948 116.6654 58.8573 63.9195 173.9101 76 R 4.6353 8.7164 126.0235 56.4772 31.0724 175.5719 77 V 5.0152 8.8723 119.0713 59.5882 36.6892 174.4253 78 I 4.9629 8.6820 122.4819 59.6286 40.3920 175.0283 79 V 4.8743 9.2353 126.6244 61.3446 34.7806 173.8995 80 T 4.9775 8.4556 122.3396 60.7618 70.4714 173.5333 81 G 4.6459 8.0080 112.2959 46.5978 0.0000 171.9632 82 R 5.1916 8.2451 118.4296 54.3572 34.6859 174.6905 83 L 4.8325 8.7680 123.3154 54.1320 42.5262 176.5074 84 K 4.7018 9.0614 123.1396 54.5216 36.1381 174.7685 85 Q 4.8241 8.5795 123.9523 54.7888 30.7369 174.5913 86 R 4.5242 9.0215 126.5997 54.9405 33.0586 175.1558 87 S 5.1957 8.7104 123.0962 58.0493 64.2876 172.0401 88 F 4.5720 8.6289 114.2941 58.5358 40.9772 173.9483 89 E 3.8664 8.8706 118.6300 56.5303 29.0030 174.9294 *95 K 3.9997 7.9818 124.2130 56.9420 32.4622 178.0175 *96 R 4.4729 6.6769 122.1747 55.6829 34.3714 170.1620 97 T 5.0121 8.2377 104.4170 61.6850 71.1925 173.6311 98 V 4.4183 8.8346 125.5367 61.0418 34.3716 174.3876 99 V 4.6209 8.2145 126.0002 62.1696 32.8002 174.6444 100 E 4.8718 9.0108 125.0425 55.0045 34.9589 173.9755 101 V 4.4688 8.4381 121.6346 61.6765 33.6179 174.3561 102 E 4.6018 9.3061 130.0592 54.6954 30.5662 175.1165 103 V 4.1718 8.1970 128.4691 63.4840 31.6606 175.5006 104 D 4.6940 9.2682 128.5016 56.7668 42.0764 176.3547 105 E 4.9719 7.9056 115.7468 55.0558 34.3758 174.1900 106 I 4.9514 8.2773 120.2783 60.3913 41.0765 173.5758 107 G 4.3616 8.7021 114.6255 44.1629 0.0000 170.2158 108 P 4.9023 0.0000 0.0000 62.2800 32.0950 176.2439 109 S 4.1125 8.6543 119.2870 58.0843 62.9272 173.5319 110 L 4.6815 8.2273 125.7033 54.4809 41.7376 178.2451 111 R 3.7873 7.5698 121.4585 59.2226 29.8635 177.7555 112 Y 4.9958 7.4253 112.7296 57.0106 39.0363 174.6075 113 A 4.6521 7.8551 120.3757 51.3846 22.2147 176.0768 114 T 4.5271 8.1584 108.9319 60.0077 71.5517 173.3831 115 A 4.4888 8.2058 125.3798 51.4434 21.9439 177.0751 116 K 4.3919 8.3553 122.6671 52.6321 32.2163 176.3836 117 V 3.9082 8.0906 125.1003 61.4535 32.2570 175.2077 118 N 4.9288 8.4605 123.7235 51.1707 40.4605 174.5488 119 K 4.2965 8.5249 122.8722 56.1853 34.2499 176.4285 120 A 4.7487 8.1341 129.6085 51.0363 16.9584 177.8159 121 S 4.5250 8.9151 116.5985 61.4228 62.4202 176.8347 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 A 8.25 4.16 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 3 G 7.97 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 4 D 9.18 4.40 0.00 2.65 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 5 T 8.48 4.14 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 6 T 8.32 5.13 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 1.31 0.00 0.00 7 I 8.23 4.70 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 1.23 0.51 0.91 0.00 0.00 8 T 8.31 5.15 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 1.25 0.00 0.00 9 V 8.99 4.47 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 0.76 0.00 0.00 0.94 0.00 0.00 10 V 8.16 4.78 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 0.90 0.00 0.00 0.92 0.00 0.00 11 G 7.89 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 12 N 7.96 6.14 0.00 2.71 2.75 0.00 0.00 6.99 6.02 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 13 L 8.38 4.75 0.00 1.73 1.78 0.61 0.43 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 14 T 8.70 4.06 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 1.51 0.00 0.00 15 A 7.74 4.75 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 16 D 8.45 4.53 0.00 2.72 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 17 P 0.00 4.64 0.00 1.90 1.99 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 18 E 9.11 4.23 0.00 2.06 1.85 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 2.30 2.25 0.00 19 L 8.40 4.66 0.00 1.55 1.51 0.64 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.51 4.64 0.00 1.57 1.64 0.00 3.03 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 21 F 8.58 5.99 0.00 2.89 2.97 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 0.00 0.00 0.00 22 T 8.63 4.32 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 1.42 0.00 0.00 23 P 0.00 4.30 0.00 2.23 2.29 0.00 3.83 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 2.05 2.02 0.00 24 S 7.91 4.34 0.00 4.03 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 25 G 8.04 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.47 4.49 1.49 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 0.00 0.00 27 A 8.80 4.40 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 28 V 8.28 4.10 1.50 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 -0.29 0.00 0.00 -0.02 0.00 0.00 29 A 8.35 5.06 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 30 N 8.67 5.29 0.00 2.55 2.58 0.00 0.00 6.41 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 31 F 8.10 5.08 0.00 2.93 3.06 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 32 T 8.43 5.18 4.33 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 1.26 0.00 0.00 33 V 8.69 4.93 2.14 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 0.98 0.00 0.00 1.16 0.00 0.00 34 A 8.90 4.50 1.09 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 35 S 8.38 4.87 0.00 3.68 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 36 T 8.27 4.33 4.23 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 0.00 0.00 0.00 1.16 0.00 0.00 37 P 0.00 4.71 0.00 2.18 2.27 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 38 R 8.21 5.31 0.00 1.96 2.34 0.00 3.66 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 39 M 8.57 4.35 0.00 1.60 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 40 F 8.30 4.05 0.00 2.74 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 41 D 8.36 4.17 0.00 2.45 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 0.00 0.00 0.00 42 R 8.59 4.09 0.00 1.82 1.75 0.00 3.38 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 43 Q 9.27 3.35 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.01 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 44 S 8.76 3.65 0.00 3.79 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 45 G 8.86 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.37 4.21 0.00 1.91 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 2.31 1.87 0.00 47 W 7.77 5.36 0.00 3.49 2.90 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 *48 K 9.57 4.75 0.00 1.40 1.58 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.29 7.81 49 D 9.05 4.85 0.00 2.58 2.68 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 50 G 8.58 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 *51 E 9.27 4.85 0.00 2.00 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 2.23 1.88 0.00 52 A 9.08 4.37 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.78 3.23 0.00 1.79 1.67 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.60 5.17 0.00 2.97 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 55 L 8.56 4.53 0.00 1.63 1.60 0.92 0.58 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 56 R 8.60 4.37 0.00 1.90 1.75 0.00 3.18 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 57 C 9.01 5.23 0.00 1.74 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 0.00 0.00 0.00 58 N 8.57 5.19 0.00 2.44 2.72 0.00 0.00 6.04 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.51 5.12 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 1.06 0.00 0.00 60 W 8.56 4.97 0.00 3.43 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 61 R 8.90 3.84 0.00 2.10 1.81 0.00 3.43 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 62 E 8.97 4.12 0.00 2.08 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 2.53 2.42 0.00 63 A 8.18 4.01 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 64 A 7.75 3.94 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 65 E 8.01 4.02 0.00 2.20 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 2.44 2.39 0.00 66 N 8.44 4.36 0.00 2.90 2.86 0.00 0.00 6.48 7.34 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 67 V 8.13 3.51 2.34 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 0.97 0.00 0.00 0.96 0.00 0.00 68 A 7.68 3.95 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 69 E 7.91 4.00 0.00 1.95 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 0.00 2.32 2.35 0.00 70 S 7.69 4.54 0.00 3.89 3.86 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 71 L 7.56 4.75 0.00 1.46 1.35 0.65 0.63 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 72 T 8.42 5.19 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 1.19 0.00 0.00 73 R 8.45 4.17 0.00 1.85 1.93 0.00 3.22 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 74 G 9.37 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 75 S 7.99 4.13 0.00 3.76 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 76 R 8.72 4.64 0.00 1.95 1.82 0.00 3.16 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 77 V 8.87 5.02 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 0.70 0.00 0.00 0.93 0.00 0.00 78 I 8.68 4.96 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.24 0.90 0.00 0.00 79 V 9.24 4.87 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 1.18 0.00 0.00 1.05 0.00 0.00 80 T 8.46 4.98 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 1.25 0.00 0.00 81 G 8.01 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.25 5.19 0.00 1.73 1.76 0.00 3.11 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 83 L 8.77 4.83 0.00 1.51 1.60 0.92 0.84 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 84 K 9.06 4.70 0.00 1.69 1.65 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.36 7.81 85 Q 8.58 4.82 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 86 R 9.02 4.52 0.00 1.79 1.58 0.00 2.82 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 87 S 8.71 5.20 0.00 3.87 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 88 F 8.63 4.57 0.00 3.19 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 89 E 8.87 3.87 0.00 2.01 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 2.24 1.90 0.00 *95 K 7.98 4.00 0.00 1.79 1.73 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *96 R 6.68 4.47 0.00 1.81 1.90 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.18 0.00 97 T 8.24 5.01 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 1.26 0.00 0.00 98 V 8.83 4.42 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 0.85 0.00 0.00 0.89 0.00 0.00 99 V 8.21 4.62 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 0.84 0.00 0.00 0.93 0.00 0.00 100 E 9.01 4.87 0.00 1.86 1.79 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 2.14 2.16 0.00 101 V 8.44 4.47 2.01 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 0.91 0.00 0.00 0.91 0.00 0.00 102 E 9.31 4.60 0.00 2.06 1.85 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 2.39 2.41 0.00 103 V 8.20 4.17 2.16 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 0.96 0.00 0.00 0.96 0.00 0.00 104 D 9.27 4.69 0.00 2.67 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 0.00 105 E 7.91 4.97 0.00 1.84 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 2.31 2.25 0.00 106 I 8.28 4.95 1.99 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 1.24 0.51 0.98 0.00 0.00 107 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 0.00 108 P 0.00 4.90 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.65 4.11 0.00 3.83 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 0.00 110 L 8.23 4.68 0.00 1.62 1.62 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.57 3.79 0.00 1.37 1.52 0.00 2.62 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 112 Y 7.43 5.00 0.00 2.94 2.75 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 0.00 113 A 7.86 4.65 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 0.00 114 T 8.16 4.53 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 0.00 115 A 8.21 4.49 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.36 4.39 0.00 1.76 1.63 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.96 7.81 117 V 8.09 3.91 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 0.95 0.00 0.00 0.92 0.00 0.00 118 N 8.46 4.93 0.00 2.70 2.70 0.00 0.00 7.07 7.61 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 0.00 119 K 8.52 4.30 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.43 7.81 120 A 8.13 4.75 0.96 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 0.00 121 S 8.92 4.52 0.00 4.04 3.86 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 * Residues marked with a * may have inaccurate shift predictions.