NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2404 8.2649 123.5730 51.8715 21.1911 176.8806 4 L 3.9514 7.1189 111.3960 53.8403 41.9939 177.2580 5 D 4.6132 8.7468 121.4772 57.0797 41.6068 176.8316 6 N 4.7413 7.9763 115.0310 53.8325 39.5737 177.0099 7 S 3.9574 8.0126 113.4215 60.1987 63.1921 173.8048 8 I 5.1673 7.3446 121.2790 59.3408 39.6955 174.9778 9 R 4.7125 9.0089 126.8398 54.4439 32.8966 174.2811 10 V 4.9394 8.5433 125.4573 61.2656 33.5846 174.2998 11 E 5.0240 9.3049 127.5145 54.6271 32.8608 175.4277 12 V 4.9793 8.1483 121.4194 60.0308 34.5567 174.1100 13 K 4.8137 8.6316 121.3969 55.3654 36.0697 174.8692 14 T 5.3218 8.2967 110.5668 60.4401 72.6327 172.3288 15 E 4.8320 9.0566 121.1236 55.2091 33.6453 173.1145 16 Y 4.3584 8.8569 128.4486 57.6705 38.9557 174.5009 17 I 3.8605 8.3931 129.4765 62.4945 37.2654 175.4613 18 E 4.2149 6.7784 120.2088 54.8585 33.1431 173.2157 19 Q 4.5235 8.5093 125.8342 55.7003 29.9727 175.3798 20 Q 4.6560 8.4329 124.6633 55.6521 30.1986 176.0613 21 S 4.3119 8.0338 115.4214 58.6286 63.6147 173.9896 22 S 4.7616 8.3348 118.4833 55.8365 65.0676 173.5870 23 P 4.1984 0.0000 0.0000 65.6765 31.1375 177.2008 24 E 4.6359 7.9895 113.0237 55.7380 31.7367 174.9400 25 D 4.6634 8.2161 119.6134 52.1358 42.9308 174.4860 26 E 4.3857 8.5245 124.5079 56.2138 30.9528 176.4480 27 K 4.9943 8.9433 122.9213 55.0299 37.1505 174.8664 28 Y 4.9645 9.2917 121.9346 56.1070 41.6854 174.1935 29 L 4.8181 8.9870 127.9511 54.3651 43.4335 175.4711 30 F 5.6121 9.5996 125.3256 55.6929 42.9153 174.4200 31 S 5.2388 9.3066 115.9852 56.7338 66.3783 172.4760 32 Y 5.2293 8.2409 118.8978 55.6913 41.7379 174.0764 33 T 4.7934 8.8820 119.5150 62.0385 71.0674 173.0892 34 I 4.6805 7.9524 128.0731 60.1162 39.5911 175.1663 35 T 4.9725 9.0178 122.8891 61.9005 71.7054 173.0513 36 I 4.8275 9.1713 128.3938 59.8241 39.4633 174.5215 37 I 4.7346 8.7564 129.4316 60.0380 39.1035 174.8690 38 N 5.1808 9.0774 126.9044 52.4027 39.2101 174.6973 39 L 4.4243 9.0822 125.9699 54.9154 42.4223 177.3600 40 G 3.9298 8.2222 107.5917 45.8002 0.0000 173.5896 41 E 4.6564 8.5487 115.1264 55.8269 29.9052 175.3278 42 Q 4.6658 7.5244 118.6296 54.3766 32.6347 174.2430 43 A 4.4928 8.7219 125.5896 52.2652 20.0453 176.1852 44 A 5.0660 9.1273 121.7599 50.0299 22.5862 174.8783 45 K 4.7131 9.0884 124.4374 54.4052 33.9143 175.5067 46 L 3.9983 8.5243 130.4141 54.9507 42.1481 176.4809 47 E 4.3338 9.1755 127.5786 57.9774 31.4864 176.4063 48 T 5.3477 7.6299 107.5420 59.8669 73.2122 172.8053 49 R 5.0816 8.7359 117.2050 54.9989 33.7319 174.1811 50 H 4.9502 8.5573 120.5032 55.1816 32.8791 172.1383 51 W 5.3210 9.5451 126.6756 55.1771 32.0983 175.7417 52 I 4.5207 8.2845 122.2771 59.7588 39.7644 174.8857 53 I 4.4316 8.5564 128.6352 59.5858 39.8699 174.9932 54 T 5.0733 8.6057 123.6935 61.6807 72.0036 173.9731 55 D 4.8337 8.6551 126.0785 51.9119 41.3768 177.0923 56 A 4.1606 8.8454 121.7686 55.0512 18.2563 178.2081 57 N 4.6821 8.6279 111.4398 52.9880 38.7398 176.2670 58 G 3.8880 8.3630 107.4497 44.8361 0.0000 173.7692 59 K 4.2152 8.0576 122.4039 56.6866 32.9429 175.6600 60 T 5.1966 8.5123 117.5744 60.3125 71.4652 173.6356 61 S 4.8963 9.0622 118.2666 56.7605 67.3556 172.5955 62 E 4.9793 8.6629 121.5757 54.4670 32.5006 174.7262 63 V 4.5694 8.5914 126.1089 61.1516 34.4154 173.9127 64 Q 4.9797 8.5650 128.0545 54.6812 32.2812 173.9499 65 G 4.1488 8.5140 110.8615 45.8443 0.0000 171.3706 66 A 4.7072 8.7595 122.0709 51.8078 19.4241 179.3610 67 G 3.6746 9.4454 113.3463 45.7892 0.0000 172.9676 68 V 4.2693 8.0389 112.2172 61.2361 35.6282 176.1595 69 V 3.3466 9.4228 116.1974 62.5461 28.8990 174.9808 70 G 4.0180 8.7207 108.3365 45.1740 0.0000 173.0260 71 E 4.7239 8.4369 117.4033 54.6584 32.6939 174.5981 72 T 4.7000 8.1959 110.8333 58.2355 68.4394 171.2984 73 P 4.2948 0.0000 0.0000 63.6465 33.1845 175.4653 74 T 4.7041 8.2694 118.8166 62.2507 70.1271 174.0069 75 I 4.4408 8.9117 129.2113 58.8647 38.8298 174.0648 76 P 4.8737 0.0000 0.0000 61.3527 32.5526 174.2035 77 P 4.3069 0.0000 0.0000 62.7922 32.0433 175.6282 78 N 4.1926 8.4402 117.6670 55.0372 38.1615 174.1785 79 T 4.8299 7.6268 110.5067 61.5536 73.5549 173.6629 80 A 5.0771 8.7158 126.4604 50.5255 21.0503 174.9557 81 Y 4.4925 8.8990 124.6490 56.8801 40.3407 174.1981 82 Q 5.2915 8.0389 127.6158 54.6801 31.9274 173.7150 83 Y 4.9316 8.3473 121.4884 56.3014 41.9147 173.4619 84 T 4.9438 8.5671 116.1637 62.3155 72.2232 173.8053 85 S 4.2161 8.0531 118.7460 58.7154 64.7534 171.7075 86 G 4.2417 7.8494 104.8175 46.8814 0.0000 172.2401 87 T 4.7666 8.7855 112.7924 61.0501 71.3622 172.2286 88 V 5.0112 8.4438 125.7587 61.3193 33.3183 174.7609 89 L 5.0185 9.3292 128.3288 53.1917 44.3673 176.9653 90 D 5.3125 9.1246 119.1306 53.2374 40.3457 176.2688 91 T 4.8197 7.5490 109.9935 59.2733 71.9787 172.4680 92 P 3.9798 0.0000 0.0000 63.9647 32.0730 175.1910 93 F 5.3008 7.5540 121.0045 56.9272 42.8873 173.4349 94 G 3.4997 6.4890 109.9138 46.2322 0.0000 171.2296 95 I 5.2592 7.9344 119.8119 58.3389 41.8297 174.2231 *97 Y 4.8294 8.3174 119.8154 56.8433 39.5639 175.1140 98 G 4.0360 7.3046 104.4224 46.3785 0.0000 171.2158 99 T 4.8287 7.3430 110.6282 60.5686 73.0774 172.6453 100 Y 5.1631 8.4516 119.9968 56.2419 40.7250 175.9510 101 G 4.6252 9.4353 111.6679 44.8077 0.0000 172.8740 *103 V 4.4702 8.1029 119.6849 61.4177 33.0704 175.1935 104 S 5.0114 9.1051 119.2563 56.9078 64.9343 174.6186 105 E 3.7283 8.5288 121.4983 59.5685 29.2354 178.2735 106 S 4.2238 7.9314 110.0528 59.0921 63.1891 174.8712 107 G 3.9111 8.8088 111.1818 45.2314 0.0000 173.5943 108 E 4.1407 7.7950 121.7654 56.1601 30.2959 174.9328 109 H 5.1635 8.6851 122.9464 54.4964 30.3003 174.0508 110 F 5.0563 8.1827 117.4559 56.1723 41.0937 172.6192 111 N 5.1896 8.9145 115.4189 51.3655 41.4247 174.2935 112 A 4.7323 8.4360 124.6882 50.3176 20.8853 176.3728 113 I 4.1597 8.4720 123.8182 61.5845 38.6617 176.2927 114 I 4.3972 8.4526 127.3099 59.1175 38.5919 175.3214 115 K 4.4198 8.7843 126.5626 55.5306 32.8343 175.4568 116 P 4.4098 0.0000 0.0000 62.8599 31.8818 175.7307 117 F 5.0008 7.6768 115.4028 54.8829 41.0107 174.0139 118 R 4.3447 8.4725 118.5846 55.5648 31.5411 175.4888 119 L 4.4846 8.1224 118.7991 52.8007 45.0385 175.7199 120 A 5.9400 8.6318 124.4820 50.7640 22.5671 175.7022 121 T 3.9310 8.6209 112.5102 60.3669 70.1796 172.3324 122 P 4.3048 0.0000 0.0000 64.5655 31.4560 175.7725 123 G 4.0040 8.7765 107.5360 46.5378 0.0000 174.7602 124 L 3.9882 7.6228 122.4334 56.3851 42.3313 176.8031 125 L 4.6338 7.4829 119.7849 52.5853 44.0072 175.4774 126 H 4.3335 8.5945 121.4061 55.2138 29.0721 174.8594 127 L 4.0556 8.3335 123.1264 55.2076 42.6152 176.2043 128 E 4.5875 8.3924 124.4005 55.4185 31.0087 175.1964 129 H 4.9810 8.6870 118.4712 54.3369 31.4555 173.1985 130 H 5.1997 8.6997 120.4000 54.4761 31.9135 172.7362 131 H 4.8593 8.2044 115.1884 54.2026 30.9918 172.8386 132 H 4.0897 8.7917 121.4914 56.6911 29.7051 174.9977 133 H 4.4068 8.2856 124.2046 56.3606 29.5929 175.0504 134 H 4.3035 8.6158 119.0480 56.8516 30.4904 174.2183 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 A 8.26 4.24 1.18 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 4 L 7.12 3.95 0.00 0.27 0.39 0.47 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.75 4.61 0.00 2.66 2.81 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 6 N 7.98 4.74 0.00 2.73 2.85 0.00 0.00 6.91 7.57 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 7 S 8.01 3.96 0.00 4.01 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 8 I 7.34 5.17 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 1.07 0.00 0.00 9 R 9.01 4.71 0.00 1.91 1.79 0.00 3.07 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 10 V 8.54 4.94 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 1.13 0.00 0.00 1.18 0.00 0.00 11 E 9.30 5.02 0.00 1.93 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 2.23 2.25 0.00 12 V 8.15 4.98 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 0.37 0.00 0.00 0.06 0.00 0.00 13 K 8.63 4.81 0.00 1.80 1.86 0.00 1.23 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.24 1.30 7.81 14 T 8.30 5.32 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 1.26 0.00 0.00 15 E 9.06 4.83 0.00 2.10 1.83 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 2.25 2.31 0.00 16 Y 8.86 4.36 0.00 3.00 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 17 I 8.39 3.86 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 0.76 0.00 0.00 18 E 6.78 4.21 0.00 1.77 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 2.16 2.16 0.00 19 Q 8.51 4.52 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.18 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 20 Q 8.43 4.66 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 21 S 8.03 4.31 0.00 3.72 3.69 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 22 S 8.33 4.76 0.00 3.98 3.94 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 23 P 0.00 4.20 0.00 2.05 2.17 0.00 3.61 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 2.03 2.15 0.00 24 E 7.99 4.64 0.00 1.88 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 2.20 2.30 0.00 25 D 8.22 4.66 0.00 2.64 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 8.52 4.39 0.00 2.15 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 2.44 2.39 0.00 27 K 8.94 4.99 0.00 1.54 1.56 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.50 7.81 28 Y 9.29 4.96 0.00 3.04 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 29 L 8.99 4.82 0.00 1.70 1.60 0.98 0.70 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 30 F 9.60 5.61 0.00 3.17 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 31 S 9.31 5.24 0.00 3.75 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 32 Y 8.24 5.23 0.00 2.76 2.98 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 33 T 8.88 4.79 4.17 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 1.12 0.00 0.00 34 I 7.95 4.68 1.63 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 1.07 1.17 1.23 0.00 0.00 35 T 9.02 4.97 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 1.25 0.00 0.00 36 I 9.17 4.83 2.04 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 1.43 1.13 0.95 0.00 0.00 37 I 8.76 4.73 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 1.16 0.71 0.95 0.00 0.00 38 N 9.08 5.18 0.00 2.90 2.90 0.00 0.00 6.78 6.18 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 39 L 9.08 4.42 0.00 1.65 1.70 0.95 0.81 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 40 G 8.22 3.93 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 0.00 0.00 0.00 41 E 8.55 4.66 0.00 2.07 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 2.19 2.20 0.00 42 Q 7.52 4.67 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 43 A 8.72 4.49 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 44 A 9.13 5.07 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 45 K 9.09 4.71 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.26 7.81 46 L 8.52 4.00 0.00 1.45 1.21 0.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.18 4.33 0.00 2.04 1.92 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 2.21 2.18 0.00 48 T 7.63 5.35 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 1.18 0.00 0.00 49 R 8.74 5.08 0.00 1.67 2.20 0.00 3.19 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 50 H 8.56 4.95 0.00 3.14 3.03 0.00 5.75 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.55 5.32 0.00 3.19 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 52 I 8.28 4.52 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.24 0.46 0.00 0.00 53 I 8.56 4.43 1.76 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 0.92 0.52 0.75 0.00 0.00 54 T 8.61 5.07 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 1.19 0.00 0.00 55 D 8.66 4.83 0.00 2.85 2.81 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 56 A 8.85 4.16 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 57 N 8.63 4.68 0.00 2.86 2.87 0.00 0.00 7.12 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 58 G 8.36 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 59 K 8.06 4.22 0.00 1.90 1.84 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.39 7.81 60 T 8.51 5.20 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 1.27 0.00 0.00 61 S 9.06 4.90 0.00 3.67 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 62 E 8.66 4.98 0.00 1.92 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 2.24 2.20 0.00 63 V 8.59 4.57 2.35 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 1.08 0.00 0.00 1.00 0.00 0.00 64 Q 8.56 4.98 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 65 G 8.51 4.15 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 0.00 0.00 0.00 66 A 8.76 4.71 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 67 G 9.45 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 68 V 8.04 4.27 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 0.00 0.00 0.55 0.00 0.00 0.47 0.00 0.00 69 V 9.42 3.35 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 0.85 0.00 0.00 0.92 0.00 0.00 70 G 8.72 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 71 E 8.44 4.72 0.00 2.02 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 0.00 2.19 2.26 0.00 72 T 8.20 4.70 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 1.14 0.00 0.00 73 P 0.00 4.29 0.00 1.32 1.88 0.00 3.48 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 1.39 0.83 0.00 74 T 8.27 4.70 4.21 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 1.19 0.00 0.00 75 I 8.91 4.44 1.88 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 1.22 0.66 0.99 0.00 0.00 76 P 0.00 4.87 0.00 2.09 2.09 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 77 P 0.00 4.31 0.00 1.97 2.27 0.00 3.84 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 2.04 2.22 0.00 78 N 8.44 4.19 0.00 2.82 2.83 0.00 0.00 6.91 7.82 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 79 T 7.63 4.83 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 1.27 0.00 0.00 80 A 8.72 5.08 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 81 Y 8.90 4.49 0.00 3.08 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 82 Q 8.04 5.29 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 83 Y 8.35 4.93 0.00 3.13 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 84 T 8.57 4.94 4.21 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 1.15 0.00 0.00 85 S 8.05 4.22 0.00 4.04 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 86 G 7.85 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 0.00 0.00 0.00 0.00 87 T 8.79 4.77 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 1.32 0.00 0.00 88 V 8.44 5.01 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 0.96 0.00 0.00 89 L 9.33 5.02 0.00 1.99 1.82 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.12 5.31 0.00 2.84 2.83 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 91 T 7.55 4.82 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 1.27 0.00 0.00 92 P 0.00 3.98 0.00 1.82 1.49 0.00 3.51 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 93 F 7.55 5.30 0.00 2.94 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 94 G 6.49 3.50 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 0.00 0.00 0.00 95 I 7.93 5.26 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.85 0.87 0.00 0.00 *97 Y 8.32 4.83 0.00 3.19 3.05 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 98 G 7.30 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 99 T 7.34 4.83 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 1.17 0.00 0.00 100 Y 8.45 5.16 0.00 2.82 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 0.00 101 G 9.44 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 *103 V 8.10 4.47 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 0.86 0.00 0.00 0.85 0.00 0.00 104 S 9.11 5.01 0.00 3.92 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 0.00 105 E 8.53 3.73 0.00 1.95 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 2.33 2.32 0.00 106 S 7.93 4.22 0.00 4.01 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 0.00 107 G 8.81 3.91 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 0.00 0.00 0.00 108 E 7.80 4.14 0.00 1.99 1.84 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 2.39 2.32 0.00 109 H 8.69 5.16 0.00 3.23 3.22 0.00 5.76 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 0.00 110 F 8.18 5.06 0.00 3.05 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 0.00 111 N 8.91 5.19 0.00 2.62 2.71 0.00 0.00 6.71 7.35 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 0.00 112 A 8.44 4.73 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 0.00 113 I 8.47 4.16 1.89 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 1.35 0.60 0.91 0.00 0.00 114 I 8.45 4.40 1.89 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.64 1.24 0.00 0.00 115 K 8.78 4.42 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.44 7.81 116 P 0.00 4.41 0.00 2.15 2.00 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 117 F 7.68 5.00 0.00 3.18 3.14 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 0.00 118 R 8.47 4.34 0.00 1.89 2.08 0.00 3.10 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 119 L 8.12 4.48 0.00 0.76 0.13 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.63 5.94 1.37 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 0.00 0.00 121 T 8.62 3.93 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 -0.06 0.00 0.00 122 P 0.00 4.30 0.00 2.25 2.21 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 123 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.99 0.00 1.85 1.66 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.48 4.63 0.00 1.47 1.42 0.80 0.86 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 0.00 126 H 8.59 4.33 0.00 3.26 3.32 0.00 5.78 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 0.00 127 L 8.33 4.06 0.00 1.61 1.57 0.90 0.91 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 0.00 128 E 8.39 4.59 0.00 1.95 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 2.23 2.25 0.00 129 H 8.69 4.98 0.00 3.11 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.70 5.20 0.00 3.05 3.20 0.00 5.91 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 0.00 131 H 8.20 4.86 0.00 3.28 3.25 0.00 5.53 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.79 4.09 0.00 3.13 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.29 4.41 0.00 3.07 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.62 4.30 0.00 3.27 3.25 0.00 5.76 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 * Residues marked with a * may have inaccurate shift predictions.