NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4665 8.1927 115.4206 57.8198 64.7578 174.3603 5 R 3.7304 8.4930 120.1620 59.2286 29.7824 174.9180 6 E 3.9350 9.0015 119.1291 59.7878 29.9563 178.9455 7 Q 4.0345 7.9566 117.1925 59.4264 28.8135 179.1292 8 T 4.0055 8.2656 116.8068 66.8088 68.3588 176.7840 9 M 4.4307 8.3132 120.7430 58.4237 32.0272 178.2314 10 E 4.0374 8.4073 118.9494 59.9129 29.7307 179.3856 11 N 4.3832 8.3328 115.9328 56.3976 38.5504 177.5362 12 I 3.7203 7.9718 121.0985 64.5027 37.2367 178.5424 13 L 3.9674 8.3544 120.1129 57.5091 41.4027 179.5022 14 K 4.0577 8.6611 120.8357 58.7979 32.1520 178.6634 15 A 3.8613 8.1432 120.7795 55.1141 18.2694 179.2957 16 A 3.5608 8.1804 119.5602 55.0913 18.4286 179.4463 17 K 3.9748 8.1147 118.0404 59.6644 32.0605 178.4790 18 K 3.7936 7.8138 119.4523 59.7126 31.8956 178.8906 19 K 3.9440 8.3658 118.8718 59.3046 31.9348 179.3769 20 F 4.7204 8.8693 119.3400 60.7882 38.6846 177.7261 21 G 3.8563 8.1803 103.9933 48.2134 0.0000 175.1821 22 E 4.2488 7.8535 119.5977 58.4174 29.6585 177.9487 23 R 4.4616 7.6421 113.2674 54.6222 31.1792 176.1272 24 G 4.0953 8.7673 106.7285 44.7565 0.0000 174.0920 25 Y 3.6769 8.8118 118.9338 60.7032 38.7204 178.4296 26 E 3.9637 7.7698 118.3609 59.2972 29.5499 178.3108 27 G 3.9172 7.5180 104.7920 45.8623 0.0000 173.1628 28 T 4.8765 7.6559 115.2989 60.5296 70.8753 174.4292 29 S 4.6986 8.2354 120.5315 56.5265 66.7559 175.0462 30 I 3.5696 8.0425 122.0177 64.1141 37.5940 177.8574 31 Q 3.9541 8.0643 118.5911 59.1908 28.4466 178.7789 32 E 3.8864 7.8472 118.6434 59.4554 29.4481 179.5997 33 I 3.5201 7.3578 119.3263 64.1948 37.0744 178.2116 34 A 3.9319 8.1707 121.9382 55.2212 18.2561 179.5525 35 K 3.8054 8.2339 118.2654 59.6052 31.9615 178.6165 36 E 3.9097 7.9269 118.6215 58.9729 29.7191 177.8748 37 A 4.1842 8.2363 117.9099 51.3312 19.8968 177.1113 38 K 3.7433 7.4748 115.9620 57.4763 30.0640 173.9153 39 V 4.5165 7.9472 110.3990 58.3380 36.3620 176.2681 40 N 4.4135 8.3879 119.4876 53.2836 40.2384 175.4336 41 V 3.5316 8.4854 127.2042 66.4383 31.6993 178.1618 42 A 4.1485 8.2966 120.1601 55.0121 18.0988 179.3414 43 M 3.8454 8.0946 116.2076 58.6831 32.2948 177.7644 44 A 3.9923 8.0535 121.2091 55.5157 18.4569 179.4073 45 S 4.1781 8.5322 111.6899 61.8801 62.5611 175.8353 46 Y 4.1954 8.3230 122.0947 61.0620 38.3751 177.5143 47 Y 4.1291 8.6915 117.0255 60.0158 37.9085 177.0280 48 F 4.6107 7.7328 115.8560 56.0570 39.9268 174.7841 49 N 3.9924 8.9338 118.0518 54.6664 37.7509 173.9691 50 G 4.0983 8.4847 103.1550 44.5723 0.0000 174.8379 51 K 3.9803 8.8725 119.4764 59.4748 32.1019 178.4448 52 E 3.9617 8.1575 120.2564 58.9511 29.5389 178.4560 53 N 4.4401 8.1072 115.9793 55.9814 38.6667 176.8924 54 L 3.8662 8.3782 122.2351 58.3530 42.0379 178.3603 55 Y 4.1930 8.4496 119.6327 61.1451 38.5821 177.7515 56 Y 4.3880 7.7297 117.5181 61.3599 37.9056 178.6114 57 E 4.0066 8.7638 119.7127 59.1146 29.4085 179.4899 58 V 3.6430 7.8973 118.6470 66.1585 31.4941 178.1712 59 F 3.7002 7.8742 117.5826 60.0724 38.4354 177.6425 60 K 2.9705 7.4738 118.6034 58.9156 32.0212 178.6030 61 K 3.8143 7.8964 119.0611 59.0628 32.4264 177.6406 62 Y 4.7456 7.8355 114.5715 59.4080 38.7937 176.2448 63 G 4.1776 8.2663 113.1699 45.7110 0.0000 174.8095 64 L 4.2794 7.5235 124.2555 54.4742 42.0286 177.5342 65 A 3.8826 8.6698 123.1056 56.6214 17.9477 183.8766 66 N 3.1400 7.1607 108.9261 54.3870 40.6333 176.1721 *68 L 4.1454 7.7573 125.0261 53.9566 43.5545 174.5380 69 P 4.2233 0.0000 0.0000 62.0788 32.0922 176.2311 70 N 4.5621 8.2093 116.5930 53.0362 39.0726 175.1540 71 F 4.2913 9.6017 129.1586 60.3785 39.0452 177.4591 72 L 3.6590 7.9150 118.2208 57.8884 41.3823 179.0827 73 E 4.1474 9.6957 119.6344 59.3395 29.4202 178.8169 74 K 4.1335 8.4034 118.6988 58.5119 32.4965 177.5066 75 N 4.9084 7.9646 115.5691 52.3880 38.7187 175.0072 76 Q 3.6348 8.2342 116.8819 57.0372 26.5791 173.4493 77 F 3.3805 8.4752 113.6582 58.4410 37.2465 176.0350 78 N 4.6462 7.9395 119.6570 52.1298 39.0437 172.7071 79 P 4.2520 0.0000 0.0000 65.3841 31.4713 178.8117 80 I 3.9585 7.6650 118.3065 64.5689 37.1911 177.8913 81 N 4.3570 8.5193 117.0592 56.3240 38.3765 177.3377 82 A 4.0723 8.2250 122.0871 55.1822 18.4450 179.4554 83 L 3.9852 8.4227 119.3183 58.1821 42.0396 179.1919 84 R 3.8446 8.2160 118.7778 59.2485 29.9954 178.1538 85 E 3.7857 8.2069 119.0466 59.4260 29.7156 177.6175 86 Y 2.9478 7.6763 119.7922 60.7483 38.6046 178.2481 87 L 3.9756 8.7030 119.9595 58.1208 41.7434 179.8589 88 T 3.8142 8.0883 115.7037 66.6309 68.4551 176.7477 89 V 3.5619 7.8997 120.4890 66.0262 31.5086 177.8958 90 F 3.9722 8.0744 120.4026 61.4844 39.1841 177.2944 91 T 3.9613 8.2565 109.7992 65.2039 68.5110 176.5528 92 T 3.8584 8.1517 118.6794 66.5922 68.4586 176.1098 93 H 4.1354 8.2308 120.1788 59.3482 29.7702 177.4796 94 I 3.8492 8.1365 121.7416 64.1509 36.6819 178.3286 95 K 3.9623 8.2844 120.1803 59.0466 32.1354 177.9476 96 E 4.3880 7.8819 116.5244 56.6304 31.3493 176.2293 97 N 4.9537 7.8574 116.7739 50.1569 39.8585 173.6772 98 P 4.5827 0.0000 0.0000 65.2788 31.6075 178.3214 99 E 4.0171 8.0836 118.2153 59.1317 29.2416 178.8320 100 I 3.5074 7.7389 120.1906 64.3518 36.8004 178.2066 101 G 3.7129 8.2409 105.9713 48.4773 0.0000 175.5596 102 T 4.2885 8.0719 112.8090 64.0632 68.6203 176.6500 103 L 4.2883 8.3777 121.4846 57.5164 42.0768 178.4040 104 A 4.4108 8.7856 121.1856 56.1924 18.1655 178.5715 105 Y 4.1772 8.4280 116.9201 60.2483 38.9751 177.4993 106 E 3.8152 8.4799 120.2813 59.2039 29.5284 178.9724 107 E 4.2120 8.2958 117.8293 58.3861 30.0885 178.3465 108 I 3.7185 8.2099 119.1048 63.8753 37.1051 178.0109 109 I 3.9039 7.1378 119.2826 63.5029 37.6966 177.6149 110 K 3.9123 7.7582 117.9080 57.1826 32.9018 176.0979 111 E 3.6866 7.5609 117.9881 57.7170 26.9494 174.4364 112 S 4.4154 7.4254 113.8825 57.1889 65.2920 175.3282 113 A 4.1957 8.4160 122.8144 55.1738 18.5572 180.2418 114 R 4.1734 7.5324 117.3293 58.3678 29.9593 178.4127 115 L 3.8842 7.4726 119.0403 58.6110 41.7831 178.7740 116 E 3.8635 8.1669 116.0754 59.5295 29.4637 179.0200 117 K 3.9237 7.1155 114.7350 57.6750 32.4855 178.5402 118 I 3.9226 7.5029 113.3703 62.6416 37.7683 178.0067 119 K 4.0164 8.0598 121.0248 59.2578 31.7690 176.8384 120 P 3.9726 0.0000 0.0000 64.7868 31.1610 176.7729 121 Y 4.5119 7.2806 115.4764 57.4676 38.4179 176.7869 122 F 4.7453 8.3572 118.2390 57.2315 44.6884 176.8450 123 I 3.6625 7.9744 121.1902 64.6544 36.8384 178.2588 124 G 3.5851 7.8727 105.9188 47.7437 0.0000 175.7716 125 S 4.5709 8.0274 116.4672 61.4385 63.0257 176.4947 126 F 4.7341 8.2514 121.4136 60.4548 38.6528 177.5460 127 E 4.0326 8.4111 118.0560 59.0465 29.1188 179.1950 128 Q 3.9466 7.8842 118.6422 58.8873 29.0956 177.5392 129 L 3.2961 8.0384 121.7928 58.0318 41.9293 178.6478 130 K 3.6889 8.1357 119.4959 59.8105 31.9406 178.4704 131 E 3.9768 8.1122 118.4751 59.3913 29.3120 179.2968 132 I 3.6933 7.9332 120.1186 64.4135 37.1144 178.5341 133 L 4.2519 8.1363 119.9435 58.1063 41.4192 179.6824 134 Q 4.2171 8.5144 118.3305 58.8021 28.5339 178.3251 135 E 4.0974 8.7505 120.9959 59.3107 29.6358 179.1072 136 G 3.0964 8.4575 105.9844 47.5488 0.0000 175.3133 137 E 4.1151 8.6348 123.1398 58.4323 29.4794 178.7127 138 K 3.8881 8.2301 118.8781 59.6137 32.3777 178.0954 139 Q 4.2455 8.2000 115.7599 56.0657 28.7801 176.9288 140 G 3.8716 7.8489 108.3331 46.0671 0.0000 174.8676 141 V 4.0225 7.7122 113.2265 61.2962 32.1794 176.0343 142 F 5.6577 7.5460 117.9221 56.0893 42.5124 174.1991 143 H 5.0827 9.5873 118.5455 54.2714 32.1440 172.8420 144 F 5.0150 8.0394 116.6881 55.8130 40.3357 174.0967 145 F 4.5003 9.5226 122.2127 60.7851 39.6166 175.6164 146 S 4.7311 7.8713 113.3492 56.0489 66.8590 174.7405 147 I 3.3027 8.3488 122.6013 64.0054 37.8035 177.6373 148 N 4.2171 8.0667 117.5433 56.8505 38.8816 176.0833 149 H 4.2527 8.4552 119.5853 59.7069 30.0487 177.3733 150 T 3.3585 7.8282 117.3841 66.5932 68.1307 176.8567 151 I 3.2405 7.7786 122.0310 64.1471 37.0462 177.7738 152 H 3.9426 8.1021 119.4341 59.1775 29.7198 177.3888 153 W 4.2052 8.0004 118.3503 59.3698 28.0179 178.3962 154 I 3.3042 6.6326 120.8136 64.2807 36.4556 178.5956 155 T 3.5909 7.6074 110.3773 64.1822 68.4038 176.4703 156 S 4.2082 7.6889 116.4895 61.4797 61.9163 176.1084 157 I 3.8109 7.6211 122.1383 64.2429 36.6083 178.6707 158 V 3.3924 7.3733 117.9406 66.0311 31.4791 177.8427 159 L 3.9292 7.5988 116.7365 55.8387 42.8283 177.0462 160 F 5.1161 7.8129 117.4035 54.6424 39.8460 174.1952 161 P 4.5225 0.0000 0.0000 65.5080 31.1845 178.1911 162 K 4.1326 8.1548 117.5287 59.0337 31.8994 178.8923 163 F 4.2835 8.3824 121.1597 60.8399 39.2192 177.0731 164 K 3.8773 8.2712 118.9297 59.6654 32.0780 178.7032 165 K 3.9371 8.1477 118.6186 59.2985 32.0495 179.1337 166 F 4.1198 8.1269 120.9680 61.3990 39.3285 177.3320 167 I 3.4888 7.7235 119.6230 64.3429 36.6193 178.0332 168 D 4.5119 8.0743 119.0887 57.4128 40.6852 178.9698 169 G 3.5797 7.8290 104.9773 46.6899 0.0000 174.3290 170 L 4.2076 6.9116 118.0571 54.8048 42.8103 176.5623 171 V 4.1460 7.8175 117.5663 59.9040 32.9990 173.0911 172 P 3.9277 0.0000 0.0000 63.1113 31.5268 176.1392 *184 S 4.1381 8.4284 116.7955 58.6405 64.0674 174.0365 185 G 3.9324 8.7999 107.0483 46.3303 0.0000 172.8641 186 D 4.7363 8.3237 120.3120 52.1855 42.9584 176.6507 187 L 3.9380 8.6109 128.7770 58.5370 42.0138 179.1477 188 V 3.5830 7.8083 117.1922 66.2209 31.5273 177.6490 189 S 4.1845 9.7928 115.6561 62.0260 62.7588 177.1935 190 R 3.9484 8.0443 120.3859 59.1620 29.6742 179.1559 191 I 4.0156 8.0437 119.6966 64.6098 37.1961 178.5815 192 I 3.7568 8.2131 120.9464 64.6081 36.6465 178.5281 193 S 4.2118 8.8651 116.1072 61.8368 62.4250 176.7813 194 A 4.1534 7.8475 121.8532 54.7494 18.3960 179.2153 195 L 4.4081 7.9714 117.8231 57.2035 41.6690 178.5032 196 T 4.9052 7.9409 107.2681 60.8861 69.4143 174.3337 197 D 4.3842 7.3717 121.3160 54.4543 41.4704 176.0337 198 K 4.0996 8.6395 125.1548 56.7598 32.1129 176.9305 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 4 S 8.19 4.47 0.00 4.03 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 5 R 8.49 3.73 0.00 1.90 1.87 0.00 2.95 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 6 E 9.00 3.93 0.00 2.01 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 2.37 2.34 0.00 7 Q 7.96 4.03 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 8 T 8.27 4.01 4.64 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 0.00 0.00 1.23 0.00 0.00 9 M 8.31 4.43 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.33 0.00 10 E 8.41 4.04 0.00 2.19 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 2.38 2.41 0.00 11 N 8.33 4.38 0.00 2.92 2.90 0.00 0.00 7.12 6.75 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 12 I 7.97 3.72 2.31 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.81 0.00 0.00 13 L 8.35 3.97 0.00 1.90 1.84 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.66 4.06 0.00 2.08 1.94 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.36 7.81 15 A 8.14 3.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.56 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 17 K 8.11 3.97 0.00 1.81 1.76 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.96 7.81 18 K 7.81 3.79 0.00 1.91 1.89 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.44 7.81 19 K 8.37 3.94 0.00 1.48 1.64 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.48 7.81 20 F 8.87 4.72 0.00 3.29 3.22 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 21 G 8.18 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 0.00 0.00 0.00 22 E 7.85 4.25 0.00 2.10 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 0.00 2.35 2.35 0.00 23 R 7.64 4.46 0.00 1.76 1.93 0.00 3.39 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 24 G 8.77 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.81 3.68 0.00 2.44 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 26 E 7.77 3.96 0.00 2.22 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 0.00 2.44 2.45 0.00 27 G 7.52 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 0.00 0.00 0.00 0.00 28 T 7.66 4.88 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 0.77 0.00 0.00 29 S 8.24 4.70 0.00 4.14 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 30 I 8.04 3.57 1.86 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 1.66 1.40 0.90 0.00 0.00 31 Q 8.06 3.95 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 32 E 7.85 3.89 0.00 2.05 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 2.27 2.29 0.00 33 I 7.36 3.52 1.82 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.43 0.78 0.00 0.00 34 A 8.17 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.81 0.00 1.84 2.00 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 36 E 7.93 3.91 0.00 2.00 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 0.00 2.26 2.32 0.00 37 A 8.24 4.18 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 38 K 7.47 3.74 0.00 1.84 1.80 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 39 V 7.95 4.52 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 0.68 0.00 0.00 0.95 0.00 0.00 40 N 8.39 4.41 0.00 2.71 2.62 0.00 0.00 6.49 7.71 0.00 0.00 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 V 8.49 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 42 A 8.30 4.15 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 43 M 8.09 3.85 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 44 A 8.05 3.99 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 45 S 8.53 4.18 0.00 3.92 4.10 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 0.00 0.00 0.00 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0.95 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 55 Y 8.45 4.19 0.00 3.01 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 56 Y 7.73 4.39 0.00 3.27 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 57 E 8.76 4.01 0.00 2.18 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 2.76 2.90 0.00 58 V 7.90 3.64 2.26 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 1.05 0.00 0.00 1.17 0.00 0.00 59 F 7.87 3.70 0.00 2.84 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 60 K 7.47 2.97 0.00 1.39 1.81 0.00 1.90 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.51 7.81 61 K 7.90 3.81 0.00 1.48 1.47 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.21 7.81 62 Y 7.84 4.75 0.00 3.00 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 63 G 8.27 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 64 L 7.52 4.28 0.00 1.72 1.45 0.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.67 3.88 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 66 N 7.16 3.14 0.00 2.77 3.01 0.00 0.00 6.99 6.74 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 *68 L 7.76 4.15 0.00 1.63 1.49 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.22 0.00 1.88 1.89 0.00 3.42 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.75 0.00 70 N 8.21 4.56 0.00 2.73 2.72 0.00 0.00 6.88 7.71 0.00 0.00 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 F 9.60 4.29 0.00 3.15 3.09 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 72 L 7.91 3.66 0.00 1.37 0.13 0.64 0.55 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 73 E 9.70 4.15 0.00 2.04 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 0.00 2.38 2.45 0.00 74 K 8.40 4.13 0.00 1.87 2.04 0.00 1.82 0.00 0.00 2.17 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 75 N 7.96 4.91 0.00 2.95 2.82 0.00 0.00 6.88 7.05 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 76 Q 8.23 3.63 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 77 F 8.48 3.38 0.00 3.14 3.19 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 78 N 7.94 4.65 0.00 2.82 2.87 0.00 0.00 7.27 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 79 P 0.00 4.25 0.00 1.71 2.18 0.00 3.54 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 80 I 7.66 3.96 2.03 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 1.86 0.62 1.02 0.00 0.00 81 N 8.52 4.36 0.00 3.01 3.07 0.00 0.00 6.98 7.03 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 82 A 8.23 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.42 3.99 0.00 1.99 1.81 0.73 0.43 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 84 R 8.22 3.84 0.00 1.97 2.16 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 85 E 8.21 3.79 0.00 2.11 1.80 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 2.27 2.34 0.00 86 Y 7.68 2.95 0.00 2.58 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 87 L 8.70 3.98 0.00 1.70 1.71 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.09 3.81 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 1.21 0.00 0.00 89 V 7.90 3.56 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 1.02 0.00 0.00 1.04 0.00 0.00 90 F 8.07 3.97 0.00 2.82 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 91 T 8.26 3.96 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 1.20 0.00 0.00 92 T 8.15 3.86 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 93 H 8.23 4.14 0.00 3.36 3.45 0.00 5.78 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 94 I 8.14 3.85 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.13 0.96 0.00 0.00 95 K 8.28 3.96 0.00 1.87 2.01 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 96 E 7.88 4.39 0.00 2.00 1.93 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 2.28 2.45 0.00 97 N 7.86 4.95 0.00 2.70 2.57 0.00 0.00 6.59 8.06 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 98 P 0.00 4.58 0.00 2.26 2.32 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 99 E 8.08 4.02 0.00 1.95 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 2.60 2.46 0.00 100 I 7.74 3.51 2.04 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 1.24 0.00 0.00 101 G 8.24 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.07 4.29 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 1.38 0.00 0.00 103 L 8.38 4.29 0.00 2.03 2.29 1.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.79 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.43 4.18 0.00 3.55 3.36 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 0.00 106 E 8.48 3.82 0.00 2.25 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 0.00 2.36 2.49 0.00 107 E 8.30 4.21 0.00 2.26 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 2.65 2.68 0.00 108 I 8.21 3.72 1.97 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 1.59 0.57 0.91 0.00 0.00 109 I 7.14 3.90 1.45 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.17 0.76 0.00 0.00 110 K 7.76 3.91 0.00 1.91 1.79 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 111 E 7.56 3.69 0.00 2.04 1.95 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 2.25 2.38 0.00 112 S 7.43 4.42 0.00 3.99 3.95 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 0.00 113 A 8.42 4.20 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 0.00 114 R 7.53 4.17 0.00 1.99 2.12 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 115 L 7.47 3.88 0.00 1.78 1.81 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.17 3.86 0.00 1.90 1.95 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 2.29 2.34 0.00 117 K 7.12 3.92 0.00 0.86 0.90 0.00 1.30 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.20 1.23 7.81 118 I 7.50 3.92 0.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 0.17 0.00 0.00 119 K 8.06 4.02 0.00 1.68 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.70 7.81 120 P 0.00 3.97 0.00 1.03 1.67 0.00 3.32 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 121 Y 7.28 4.51 0.00 2.58 2.64 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 0.00 0.00 0.00 122 F 8.36 4.75 0.00 2.51 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 0.00 0.00 0.00 123 I 7.97 3.66 1.75 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 1.57 1.08 0.89 0.00 0.00 124 G 7.87 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 0.00 0.00 0.00 125 S 8.03 4.57 0.00 4.76 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 0.00 126 F 8.25 4.73 0.00 3.25 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 0.00 127 E 8.41 4.03 0.00 2.11 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 2.36 2.36 0.00 128 Q 7.88 3.95 0.00 2.28 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 129 L 8.04 3.30 0.00 1.31 1.76 0.43 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.14 3.69 0.00 1.89 1.99 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 131 E 8.11 3.98 0.00 2.22 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 2.36 2.43 0.00 132 I 7.93 3.69 1.87 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 1.50 0.74 1.01 0.00 0.00 133 L 8.14 4.25 0.00 1.69 1.52 0.48 0.77 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 0.00 134 Q 8.51 4.22 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 135 E 8.75 4.10 0.00 2.21 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 2.45 2.46 0.00 136 G 8.46 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.63 4.12 0.00 1.76 2.29 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 2.22 1.92 0.00 138 K 8.23 3.89 0.00 1.80 2.12 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 139 Q 8.20 4.25 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.93 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 140 G 7.85 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 0.00 0.00 0.00 141 V 7.71 4.02 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 0.62 0.00 0.00 0.33 0.00 0.00 142 F 7.55 5.66 0.00 3.07 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 0.00 143 H 9.59 5.08 0.00 3.01 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.04 5.02 0.00 3.14 3.16 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 0.00 0.00 0.00 0.00 145 F 9.52 4.50 0.00 3.01 3.27 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 0.00 146 S 7.87 4.73 0.00 3.91 3.35 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 0.00 147 I 8.35 3.30 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.92 0.00 0.00 148 N 8.07 4.22 0.00 2.80 2.83 0.00 0.00 6.83 7.89 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 0.00 149 H 8.46 4.25 0.00 3.60 3.74 0.00 5.84 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 0.00 150 T 7.83 3.36 3.77 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 0.49 0.00 0.00 151 I 7.78 3.24 1.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.40 0.51 0.00 0.00 152 H 8.10 3.94 0.00 3.21 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.00 4.21 0.00 3.56 3.27 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 0.00 154 I 6.63 3.30 1.21 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.59 0.00 0.00 155 T 7.61 3.59 3.75 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 0.22 0.00 0.00 156 S 7.69 4.21 0.00 4.00 4.12 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 0.00 157 I 7.62 3.81 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.94 0.00 0.00 158 V 7.37 3.39 1.59 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 -0.45 0.00 0.00 0.58 0.00 0.00 159 L 7.60 3.93 0.00 0.79 0.41 0.61 0.85 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 0.00 160 F 7.81 5.12 0.00 3.26 2.88 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 0.00 0.00 0.00 161 P 0.00 4.52 0.00 2.30 2.35 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 162 K 8.15 4.13 0.00 1.90 1.96 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.54 7.81 163 F 8.38 4.28 0.00 3.10 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 0.00 164 K 8.27 3.88 0.00 2.01 2.07 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.62 7.81 165 K 8.15 3.94 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.63 7.81 166 F 8.13 4.12 0.00 3.09 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 0.00 167 I 7.72 3.49 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.20 0.77 0.00 0.00 168 D 8.07 4.51 0.00 2.76 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 0.00 169 G 7.83 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 0.00 170 L 6.91 4.21 0.00 1.45 1.53 0.26 0.53 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 0.00 171 V 7.82 4.15 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 0.74 0.00 0.00 0.83 0.00 0.00 172 P 0.00 3.93 0.00 2.03 1.99 0.00 3.70 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 2.00 2.07 0.00 *184 S 8.43 4.14 0.00 4.00 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 0.00 185 G 8.80 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 0.00 186 D 8.32 4.74 0.00 2.73 2.56 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 0.00 187 L 8.61 3.94 0.00 1.81 1.69 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.81 3.58 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 1.09 0.00 0.00 0.94 0.00 0.00 189 S 9.79 4.18 0.00 3.92 3.95 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 0.00 190 R 8.04 3.95 0.00 2.07 1.99 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 191 I 8.04 4.02 2.08 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 1.84 1.68 0.87 0.00 0.00 192 I 8.21 3.76 1.95 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 1.61 1.03 1.05 0.00 0.00 193 S 8.87 4.21 0.00 3.85 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 0.00 194 A 7.85 4.15 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 0.00 195 L 7.97 4.41 0.00 1.78 1.54 0.34 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 196 T 7.94 4.91 4.38 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 1.61 0.00 0.00 197 D 7.37 4.38 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 K 8.64 4.10 0.00 1.78 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.