NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 M 4.4238 8.3044 120.3273 55.1227 33.4404 174.3578 25 D 4.3530 8.3999 120.4081 52.5858 42.1655 172.2983 26 E 4.4224 8.3898 127.2279 53.6804 30.9438 173.3976 27 P 4.3723 0.0000 0.0000 62.7447 32.0147 175.1061 28 D 5.0242 8.3855 120.9406 52.4151 42.0941 175.8050 29 L 4.2443 8.4804 123.3703 54.8415 42.0790 177.3577 30 K 4.1343 8.3612 117.3011 57.3759 30.1232 175.4072 31 D 4.4460 7.3523 116.2183 54.0839 41.5459 175.6794 32 L 4.8754 7.6674 121.2271 52.8995 45.6485 175.8163 33 F 4.9636 9.2948 121.8095 55.8423 41.8543 174.1741 34 I 5.2578 8.7445 124.5623 59.6151 39.9305 175.1270 35 T 4.6283 8.9613 116.4138 59.7878 72.1051 173.2367 36 V 4.9177 8.0241 122.4491 61.7268 34.2212 173.8959 37 D 4.4824 9.2682 127.3813 53.3725 42.6338 173.6636 38 E 3.6747 8.6748 115.1022 56.7913 27.7197 173.5705 39 P 4.4170 0.0000 0.0000 63.3199 32.4924 177.3204 40 E 4.7805 8.9233 121.6641 54.4162 34.3071 174.5926 41 S 4.6122 8.4730 117.2795 58.0157 64.5079 172.8692 42 H 4.4456 9.0241 125.9741 54.4888 30.9192 173.9221 43 V 4.3647 8.2367 127.7125 61.7732 31.7843 175.4220 44 T 4.4752 8.3751 119.6084 60.1886 70.6859 175.1945 45 T 4.0230 8.4675 117.4437 65.8019 68.4061 175.4379 46 I 4.4638 7.0443 111.5056 59.8000 38.5032 174.8266 47 E 4.8454 7.4000 118.7166 56.0215 32.0646 174.0373 48 T 5.1975 8.7912 121.5397 61.8104 71.1889 173.2987 49 F 5.3292 8.4126 119.7991 55.7257 42.0236 173.1654 50 I 4.8737 8.7900 120.6692 60.7067 38.2880 175.3590 51 T 5.1138 8.8376 115.9138 60.1320 72.6528 172.1757 52 Y 4.8871 8.9088 119.7520 56.0744 41.7545 174.9116 53 R 4.5236 9.1766 125.2456 56.1109 31.5129 174.9125 54 I 5.0546 8.9247 128.1476 59.7392 39.7719 174.5410 55 I 4.9750 8.5502 128.3375 59.7886 39.9119 174.7961 56 T 5.1517 9.0992 123.7288 61.7076 71.6174 173.3059 57 K 5.4300 9.4196 125.6498 54.9982 35.8046 176.7539 58 T 4.7164 8.5607 111.6505 61.1938 69.6105 174.2946 59 S 4.8889 7.9313 115.2055 57.4518 65.3228 173.7776 60 R 3.9808 8.5221 123.0397 56.9871 30.3205 177.1927 61 G 3.8897 7.9534 107.8001 44.5544 0.0000 173.6581 62 E 3.7738 8.4145 119.9365 57.7042 29.7129 176.1669 63 F 4.9653 7.4343 114.5905 55.6326 42.8042 173.5772 64 D 4.4273 8.8497 118.4664 54.7189 38.9898 171.7048 65 S 4.6886 7.6069 110.8613 57.7018 66.6859 173.3040 66 S 4.9864 8.8100 116.5712 56.9527 65.1888 173.4920 67 E 5.3192 8.5267 123.8425 54.9827 32.5559 174.1320 68 F 4.8444 9.4576 124.7867 55.5892 43.6718 173.2520 69 E 5.1556 8.9416 122.9187 54.6581 32.2402 174.9741 70 V 5.0300 8.9690 119.1423 59.7206 36.7594 174.4280 71 R 5.0870 8.5361 119.7483 54.6464 32.8908 175.6288 72 R 5.0374 9.0158 121.9451 54.4530 34.7741 175.0153 73 R 5.1761 9.2420 119.3980 55.4788 31.5963 176.7212 74 Y 4.3584 9.2754 120.4777 61.4214 38.6178 178.4584 75 Q 4.0565 8.4185 118.2466 59.1388 28.8272 178.5408 76 D 4.5276 8.4039 120.0145 57.4176 40.7587 178.7877 77 F 3.9962 8.4468 117.9815 60.3613 38.9381 177.5571 78 L 3.8030 7.8331 118.8178 57.2202 41.3539 179.1001 79 W 4.1552 8.4151 128.4693 60.5099 30.5854 177.7378 80 L 3.4939 8.1295 119.9132 57.9142 41.4689 178.6683 81 K 4.0245 8.3235 119.9364 59.5908 32.0970 178.9210 82 G 3.4568 7.9450 105.8605 47.6380 0.0000 175.7947 83 K 3.7115 7.5009 120.9122 59.1307 32.0773 179.4854 84 L 3.9386 7.8803 119.2718 57.5965 41.2450 179.3708 85 E 3.9133 8.0323 117.8516 59.5420 29.5091 178.9344 86 E 4.0238 7.9706 117.0079 59.3182 29.5854 178.9684 87 A 4.1747 7.7830 119.4218 53.6158 20.1655 177.4118 88 H 4.7665 7.7613 114.0642 53.4648 29.2149 172.4467 89 P 4.4329 0.0000 0.0000 64.8770 31.8440 178.1565 90 T 4.3250 7.7580 107.3818 61.4651 69.4119 174.3723 91 L 4.4497 7.5224 122.4297 53.6437 43.1750 176.1859 92 I 4.1957 7.9276 122.2838 59.8477 37.4938 176.0645 93 I 3.8824 8.0415 126.8147 59.9060 37.7749 174.4771 94 P 4.3013 0.0000 0.0000 62.3966 31.6980 174.6754 95 P 4.6597 0.0000 0.0000 62.7427 32.4705 176.4123 96 L 4.6858 7.8525 118.3935 52.2962 42.1296 174.4190 97 P 4.5165 0.0000 0.0000 62.4373 32.5895 176.5460 98 E 4.6010 8.3653 119.7739 54.4799 32.7657 174.0480 99 K 4.4814 8.5506 128.5684 54.7641 33.8991 176.5694 *100 F 3.9901 8.5144 124.5074 57.4345 38.2093 172.9789 *105 M 4.3022 8.4790 124.3026 53.8681 34.1091 176.3788 106 V 4.0139 7.4127 118.1796 64.4715 32.9497 177.2807 107 E 3.8342 7.9123 120.2765 58.8568 29.5510 178.6936 108 R 3.0227 7.3337 113.9521 57.8587 29.4266 177.0573 109 F 5.1175 7.4852 115.2789 57.1103 39.6555 175.7076 110 N 4.6009 8.0022 120.5940 53.2239 40.5391 175.2034 111 D 4.3603 8.6889 126.0067 57.6124 41.4303 178.1023 112 D 4.3286 8.2400 118.1001 57.1957 41.2485 177.8013 113 F 4.0824 8.5775 121.1869 61.4406 39.4695 177.2668 114 I 3.8691 8.2013 119.5558 64.4528 36.9640 178.1408 115 E 4.1008 8.5826 120.4907 59.3301 29.4360 178.9006 116 T 3.7779 8.1588 116.2818 66.5646 68.5499 176.5074 117 R 3.5223 7.7278 120.4675 59.1747 30.0568 178.2166 118 R 3.5779 8.3441 118.8181 59.5645 29.9885 178.5446 119 K 3.9846 8.0607 117.7341 59.4245 31.9480 179.2632 120 A 3.9527 7.8444 121.0546 55.0880 18.2080 179.7141 121 L 3.7019 8.1876 117.9386 57.8972 41.5152 179.1768 122 H 4.3106 8.3601 118.2583 59.2303 29.8281 177.1509 123 K 3.8540 8.2435 121.4812 59.4023 31.9977 178.2909 124 F 4.1045 8.4751 120.9884 61.5692 39.2499 177.1867 125 L 4.0769 8.5117 118.6176 57.8207 41.4469 179.2928 126 N 4.3501 8.4691 116.6448 56.3265 38.2322 177.6632 127 R 3.8391 7.8165 118.5546 59.2241 30.5358 178.9054 128 I 3.3807 7.3323 119.3293 64.1382 36.7451 178.4192 129 A 4.0404 7.8609 120.6316 54.9063 18.3084 178.6948 130 D 4.4538 7.8057 115.1369 54.4609 41.6537 176.0558 131 H 4.3519 7.2924 120.9786 54.3522 30.4358 174.2785 132 P 4.3021 0.0000 0.0000 64.7798 31.3082 177.5988 133 T 4.4979 7.8603 108.2373 63.3680 70.0347 176.6055 134 L 3.7368 7.7115 121.2008 57.4815 41.3910 179.1140 135 T 3.6745 7.4636 112.2274 64.2258 67.1830 174.5569 136 F 4.9420 7.0187 116.7015 57.2503 39.6043 175.9535 137 N 4.5313 8.1831 121.1821 53.4809 40.3576 175.2893 138 E 4.0530 8.8805 127.5627 59.5774 29.7958 178.7649 139 D 4.6800 8.3092 118.5276 56.8467 40.9652 178.2854 140 F 4.4364 8.6987 121.5604 61.2073 39.5875 176.8696 141 K 3.6569 8.0978 119.1261 59.7170 31.8936 178.6650 142 I 3.7745 7.9431 119.8571 64.3458 36.8048 178.0433 143 F 4.0418 8.5053 120.7419 61.3336 39.3336 176.6357 144 L 4.1688 7.7534 116.0834 55.9842 41.6901 177.5148 145 T 4.2871 7.0452 105.1835 61.1105 70.4702 174.6139 146 A 4.0405 7.9844 124.9830 53.1531 19.0346 176.7838 147 Q 3.4165 8.6748 117.5006 56.8413 26.3008 174.3243 148 A 4.6003 8.0078 117.8427 52.1688 19.4133 178.4503 149 W 4.6411 9.3818 121.2619 54.9917 31.3565 176.5640 150 E 4.2380 8.7225 120.2043 56.8486 28.5974 177.0394 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 24 M 8.30 4.42 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 25 D 8.40 4.35 0.00 2.69 2.55 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 26 E 8.39 4.42 0.00 1.98 1.87 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 2.25 2.30 0.00 27 P 0.00 4.37 0.00 2.23 2.06 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 28 D 8.39 5.02 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 29 L 8.48 4.24 0.00 1.80 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.36 4.13 0.00 2.06 2.14 0.00 2.05 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.75 7.81 31 D 7.35 4.45 0.00 2.79 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 0.00 0.00 0.00 32 L 7.67 4.88 0.00 1.35 1.45 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.29 4.96 0.00 2.96 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 34 I 8.74 5.26 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 1.49 0.70 1.08 0.00 0.00 35 T 8.96 4.63 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 1.25 0.00 0.00 36 V 8.02 4.92 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 0.99 0.00 0.00 1.12 0.00 0.00 37 D 9.27 4.48 0.00 2.74 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 38 E 8.67 3.67 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 39 P 0.00 4.42 0.00 1.95 1.80 0.00 3.75 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 1.97 2.06 0.00 40 E 8.92 4.78 0.00 1.70 1.68 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 2.10 2.30 0.00 41 S 8.47 4.61 0.00 3.59 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 42 H 9.02 4.45 0.00 2.79 1.97 0.00 5.59 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.24 4.36 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 0.83 0.00 0.00 0.81 0.00 0.00 44 T 8.38 4.48 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 1.19 0.00 0.00 45 T 8.47 4.02 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 1.23 0.00 0.00 46 I 7.04 4.46 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.94 0.00 0.00 47 E 7.40 4.85 0.00 2.08 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 2.47 2.35 0.00 48 T 8.79 5.20 4.40 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 0.93 0.00 0.00 49 F 8.41 5.33 0.00 3.27 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 50 I 8.79 4.87 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.13 0.57 0.00 0.00 51 T 8.84 5.11 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 1.52 0.00 0.00 52 Y 8.91 4.89 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.18 4.52 0.00 1.71 2.08 0.00 3.24 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 54 I 8.92 5.05 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.04 0.00 0.00 55 I 8.55 4.97 1.91 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 1.25 0.71 0.99 0.00 0.00 56 T 9.10 5.15 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 1.22 0.00 0.00 57 K 9.42 5.43 0.00 1.87 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 58 T 8.56 4.72 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 1.29 0.00 0.00 59 S 7.93 4.89 0.00 3.90 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 60 R 8.52 3.98 0.00 1.72 1.79 0.00 3.01 0.00 0.00 2.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.23 0.00 61 G 7.95 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 62 E 8.41 3.77 0.00 1.56 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 1.87 0.00 63 F 7.43 4.97 0.00 3.08 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 64 D 8.85 4.43 0.00 2.83 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 65 S 7.61 4.69 0.00 4.05 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 66 S 8.81 4.99 0.00 3.92 4.05 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 0.00 0.00 0.00 67 E 8.53 5.32 0.00 1.95 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 0.00 2.19 2.54 0.00 68 F 9.46 4.84 0.00 2.91 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 69 E 8.94 5.16 0.00 2.05 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 2.19 2.26 0.00 70 V 8.97 5.03 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 0.81 0.00 0.00 0.80 0.00 0.00 71 R 8.54 5.09 0.00 1.64 1.75 0.00 2.33 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.00 72 R 9.02 5.04 0.00 1.83 1.76 0.00 2.72 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.00 73 R 9.24 5.18 0.00 2.15 2.38 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 74 Y 9.28 4.36 0.00 3.14 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 75 Q 8.42 4.06 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 76 D 8.40 4.53 0.00 3.05 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 77 F 8.45 4.00 0.00 2.84 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 78 L 7.83 3.80 0.00 1.81 1.64 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.42 4.16 0.00 3.42 3.52 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 80 L 8.13 3.49 0.00 1.78 1.62 0.93 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.32 4.02 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 82 G 7.95 3.46 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 0.00 0.00 0.00 83 K 7.50 3.71 0.00 1.39 1.49 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.30 0.21 7.81 84 L 7.88 3.94 0.00 1.70 1.56 0.63 0.65 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 85 E 8.03 3.91 0.00 2.00 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 2.30 2.42 0.00 86 E 7.97 4.02 0.00 1.99 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 2.29 2.34 0.00 87 A 7.78 4.17 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 88 H 7.76 4.77 0.00 3.23 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.43 0.00 2.15 2.15 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 90 T 7.76 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 1.20 0.00 0.00 91 L 7.52 4.45 0.00 1.73 1.53 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.93 4.20 1.84 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 1.39 0.50 0.89 0.00 0.00 93 I 8.04 3.88 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.86 0.00 0.00 94 P 0.00 4.30 0.00 1.93 1.97 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 95 P 0.00 4.66 0.00 2.19 2.06 0.00 3.76 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 2.01 1.99 0.00 96 L 7.85 4.69 0.00 1.44 1.51 0.16 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.52 0.00 2.17 2.05 0.00 3.70 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 98 E 8.37 4.60 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 99 K 8.55 4.48 0.00 1.76 1.69 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.41 7.81 *100 F 8.51 3.99 0.00 2.34 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 0.00 0.00 0.00 0.00 *105 M 8.48 4.30 0.00 1.99 2.15 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 2.48 2.43 0.00 106 V 7.41 4.01 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 0.97 0.00 0.00 0.93 0.00 0.00 107 E 7.91 3.83 0.00 1.92 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 2.13 1.67 0.00 108 R 7.33 3.02 0.00 1.49 1.52 0.00 2.51 0.00 0.00 2.84 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 109 F 7.49 5.12 0.00 3.04 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 0.00 110 N 8.00 4.60 0.00 2.78 2.91 0.00 0.00 6.83 7.78 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 0.00 111 D 8.69 4.36 0.00 2.87 2.69 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 0.00 112 D 8.24 4.33 0.00 2.86 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 0.00 113 F 8.58 4.08 0.00 3.35 3.26 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 0.00 114 I 8.20 3.87 2.12 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 1.69 0.83 1.05 0.00 0.00 115 E 8.58 4.10 0.00 2.10 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 2.32 2.40 0.00 116 T 8.16 3.78 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 1.09 0.00 0.00 117 R 7.73 3.52 0.00 1.34 1.87 0.00 2.94 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.20 0.00 118 R 8.34 3.58 0.00 2.15 2.13 0.00 3.34 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 119 K 8.06 3.98 0.00 1.96 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 120 A 7.84 3.95 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 0.00 121 L 8.19 3.70 0.00 1.41 1.16 -0.30 -0.10 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 0.00 122 H 8.36 4.31 0.00 3.34 3.49 0.00 5.61 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 0.00 123 K 8.24 3.85 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 124 F 8.48 4.10 0.00 3.17 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 0.00 125 L 8.51 4.08 0.00 1.99 1.98 1.40 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.47 4.35 0.00 2.85 2.83 0.00 0.00 7.00 7.17 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 0.00 127 R 7.82 3.84 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 128 I 7.33 3.38 1.24 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.49 -0.60 0.00 0.00 129 A 7.86 4.04 1.43 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 0.00 0.00 0.00 130 D 7.81 4.45 0.00 2.63 2.65 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 0.00 131 H 7.29 4.35 0.00 3.19 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.30 0.00 2.02 2.09 0.00 3.11 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 1.89 1.97 0.00 133 T 7.86 4.50 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 1.26 0.00 0.00 134 L 7.71 3.74 0.00 1.33 1.30 0.50 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.46 3.67 4.19 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 -0.05 0.00 0.00 136 F 7.02 4.94 0.00 3.17 3.01 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 0.00 137 N 8.18 4.53 0.00 2.78 2.81 0.00 0.00 6.81 7.09 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 0.00 138 E 8.88 4.05 0.00 2.18 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 2.43 2.54 0.00 139 D 8.31 4.68 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 0.00 140 F 8.70 4.44 0.00 2.95 3.28 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 0.00 141 K 8.10 3.66 0.00 1.91 2.03 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.36 7.81 142 I 7.94 3.77 2.22 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 1.45 0.68 0.93 0.00 0.00 143 F 8.51 4.04 0.00 3.36 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 0.00 144 L 7.75 4.17 0.00 1.52 1.51 0.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.05 4.29 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 0.20 0.00 0.00 146 A 7.98 4.04 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 0.00 147 Q 8.67 3.42 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 148 A 8.01 4.60 1.46 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 0.00 0.00 149 W 9.38 4.64 0.00 3.07 3.23 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 0.00 150 E 8.72 4.24 0.00 1.90 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 2.30 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.