NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.0919 8.2501 119.0516 55.8134 30.4392 174.3221 12 A 3.8417 7.7608 127.0630 49.7442 19.4584 172.5835 13 E 5.3256 8.7987 122.0645 54.5584 33.3692 173.9489 14 V 4.7874 9.0321 122.4625 61.2794 34.4098 174.4993 15 V 5.0748 9.1172 127.4122 61.3092 34.5564 174.0574 16 F 5.3192 9.5438 126.2459 55.9045 42.6519 174.3451 17 T 5.3200 9.0622 111.5173 60.3272 72.7433 172.3584 18 C 5.1559 9.2275 122.3873 58.1441 35.4855 171.8909 19 N 5.2775 9.4037 125.7513 52.0257 40.6235 173.2277 20 G 4.4463 9.3317 114.5479 44.4584 0.0000 171.9254 21 K 5.2538 8.8607 122.8805 54.1644 35.6991 175.3013 22 A 4.6683 8.6937 127.5553 51.9077 18.9601 176.9733 23 V 4.3150 8.4104 115.5742 59.4251 35.7038 177.7006 24 G 3.6450 8.5901 109.2416 47.1601 0.0000 174.8108 25 K 4.1253 8.5526 119.1596 57.2768 33.2038 176.4341 *27 R 4.3217 7.6250 119.2499 56.1198 31.7835 173.5422 28 N 5.3375 9.0697 123.1786 51.5705 41.7625 173.1465 29 E 4.7519 9.2734 124.5092 54.9093 31.6004 175.1941 30 L 4.8505 9.0410 126.3938 53.1574 43.9108 175.7459 31 D 4.8887 9.1057 126.5274 53.1585 41.5649 174.7653 32 V 4.7814 8.8031 126.1932 61.4363 33.3086 173.8759 33 A 5.6092 8.9642 130.6986 50.5253 22.0357 177.8448 *35 V 3.8361 8.6268 111.4891 62.9922 33.4477 176.4346 36 K 4.7690 7.4505 117.3391 53.8755 35.4308 175.6339 37 P 4.4266 0.0000 0.0000 64.6077 31.6557 176.0171 38 F 5.0174 7.2664 111.0692 55.1873 41.0178 172.9234 39 E 4.5110 8.7772 120.3531 55.1201 30.7361 175.5072 40 E 4.6740 8.3284 123.3972 54.5026 33.7872 173.8658 41 R 4.9165 7.9565 121.9271 54.3154 33.8236 175.0603 42 F 4.9080 9.2389 120.2305 55.7985 43.4107 173.6872 43 A 4.8869 8.9091 125.5014 50.8530 19.7964 175.6594 44 L 5.0111 8.8933 121.2987 54.0468 46.2723 175.4004 45 A 5.1216 8.1717 119.2365 51.5759 21.8970 175.6308 46 T 4.7675 8.5700 109.1969 60.3947 72.6831 172.1021 47 D 4.9453 8.2647 120.0876 53.6385 44.4412 173.7918 48 E 4.5487 9.1716 121.4992 54.4671 32.6740 174.3406 49 G 4.1536 8.3496 109.9772 43.1730 0.0000 172.4935 50 A 4.1077 7.8188 118.6082 51.5628 21.4663 175.9543 *57 S 4.1742 8.7154 116.9183 57.6769 63.4402 173.4021 58 A 4.2244 8.3937 129.6545 51.2833 18.8416 175.4352 59 P 4.3242 0.0000 0.0000 61.0886 32.7273 174.3817 60 P 4.4283 0.0000 0.0000 61.5777 32.3833 175.4420 61 P 4.1392 0.0000 0.0000 66.0115 31.1094 178.9898 62 L 3.7621 7.4821 116.6345 57.0372 41.3791 179.2360 63 A 3.8636 7.3724 120.9810 55.0041 18.1942 179.5946 64 L 3.8892 7.6620 117.0276 57.7363 41.6763 179.2028 65 F 4.1088 8.1828 120.5164 61.5572 39.3357 177.1218 66 I 3.4243 8.0459 117.9070 63.7249 37.7096 177.6663 67 A 4.0607 8.1342 121.9955 54.9769 18.1382 179.7299 68 G 3.5050 8.1583 104.4199 47.8327 0.0000 175.6102 69 L 3.8073 7.6541 123.1470 58.0232 41.8756 179.1914 70 T 3.9212 7.7951 114.4922 66.6591 68.4915 176.6429 71 G 3.7151 8.1984 106.7773 47.7246 0.0000 175.0422 72 C 4.3101 8.3101 121.1885 62.2343 31.6307 176.4428 73 V 3.3332 7.4294 115.8132 64.3134 30.7506 177.3508 *75 T 4.2338 7.8119 115.3932 63.3960 70.5401 176.3530 76 Q 3.3683 7.8989 120.1767 58.5982 28.6472 178.6028 77 I 3.6924 7.6187 120.8239 64.7148 36.9800 178.7347 78 R 3.9447 7.8062 116.5028 59.1643 30.0437 178.5610 79 A 4.1401 8.1022 120.1392 54.4914 18.6904 178.8201 80 F 4.8766 8.2155 114.6617 58.2580 39.5094 177.9966 81 A 4.0289 7.8492 120.9374 55.2937 18.2305 179.5791 82 K 3.8859 8.0262 117.3730 59.5823 32.1533 178.6446 83 R 3.8638 8.0928 118.0726 59.0314 30.0451 176.6647 84 L 4.4747 7.9051 115.0042 54.0153 41.5909 176.3338 85 K 3.8741 7.9828 116.4672 57.5947 29.7619 175.5725 86 V 4.4732 7.9407 118.2412 61.2709 33.1057 174.8120 87 T 4.3546 9.3124 124.6976 62.4622 69.2249 173.9397 88 V 4.6921 8.3058 125.7249 61.1942 34.0257 174.6264 89 T 4.5877 8.2634 122.8412 63.1220 71.8854 173.6688 90 D 4.3551 8.9068 124.5442 54.5131 38.7691 174.0382 91 L 4.2238 7.8007 119.4647 56.1675 43.5447 175.5900 92 D 5.4137 9.0903 124.7131 52.5105 44.9461 174.0763 93 V 4.8771 8.8088 124.9696 61.1347 34.9310 173.6687 94 E 5.1745 9.3179 127.6175 54.7226 32.1627 174.5111 95 C 5.3481 9.3488 124.8871 57.5010 35.3581 172.4790 96 R 5.0586 9.0741 125.5931 54.5410 33.0763 173.8789 97 V 4.3489 8.8622 126.0173 60.7516 34.8597 174.1177 98 V 4.8517 7.8252 126.8498 60.8562 34.2869 174.3019 99 W 5.3959 9.5460 127.1690 54.9658 33.2288 173.9572 100 D 5.6032 9.5297 120.5948 51.6570 42.7431 174.1371 101 W 5.7731 8.6977 115.7235 54.9589 31.5734 174.3696 102 A 4.7436 9.2367 121.2406 49.9157 22.3569 175.9903 103 K 4.4460 8.9667 122.0921 56.9769 33.1803 177.1783 104 A 4.6313 9.0483 127.9725 51.2246 20.5573 178.0119 105 G 3.9178 8.0234 115.1902 46.3774 0.0000 172.1055 106 P 4.5436 0.0000 0.0000 63.3990 32.0224 175.5785 107 V 4.5745 7.6795 112.9005 60.1240 34.7485 173.6322 108 Y 5.3975 7.7687 116.9380 56.0183 41.1376 173.9665 109 E 5.0583 9.2759 119.7690 54.8945 33.5503 175.0247 110 T 5.4374 8.3064 110.9381 60.5296 72.6347 172.4286 111 G 4.3760 8.8466 107.3791 44.8162 0.0000 171.0895 112 P 4.7914 0.0000 0.0000 62.7896 31.8621 175.4773 113 K 4.5618 8.7459 123.0785 57.8109 34.1936 176.2539 114 S 4.7663 7.1993 111.7951 57.2444 66.1668 173.2864 115 F 5.0923 8.7639 119.6714 55.8810 42.2799 174.1472 116 E 4.7825 9.2291 122.1278 54.6814 33.7390 174.6458 117 I 4.9286 8.4797 123.8667 59.8031 40.4977 174.2380 118 D 5.0093 9.3107 127.9686 52.4870 43.2445 175.5684 119 I 4.7678 8.3898 123.4103 59.4391 40.3299 174.9185 120 I 4.3370 8.8919 127.8059 59.8537 39.1598 175.9462 121 L 4.2309 8.6669 127.2478 53.7372 43.5005 176.6776 122 H 4.2559 7.6995 114.7186 56.7081 26.3143 174.2490 123 S 4.9153 8.0203 111.0075 55.5619 64.0643 171.3463 124 P 4.6071 0.0000 0.0000 62.9974 31.4508 175.3865 125 D 4.7987 7.6246 119.3203 52.3804 42.7556 174.9732 126 P 4.4014 0.0000 0.0000 62.7096 33.1185 177.7276 127 I 3.7128 8.3660 121.9107 64.7764 37.0861 178.5178 128 E 4.1153 8.2403 118.5679 59.4603 29.2697 179.2063 129 A 4.0177 7.8976 120.2703 55.1624 18.5288 179.5761 130 Q 3.9505 8.0441 116.4443 59.2350 28.7213 178.9501 131 Q 3.9870 8.5461 119.2984 58.8462 28.6276 178.6994 132 A 3.9771 8.0558 121.8507 55.0058 18.3552 179.4676 133 L 3.9332 7.9404 118.7956 58.4050 42.1406 179.2440 134 I 3.7357 7.9197 119.7752 64.4007 37.1369 178.2354 135 E 3.9417 8.5728 119.5194 59.3783 29.2706 179.2917 136 A 3.9957 8.3718 120.7952 55.1745 18.5552 179.5192 137 A 4.0045 8.5892 119.7206 55.2009 18.2048 179.8608 138 K 3.8467 8.1685 116.3962 59.8036 32.2665 179.3902 139 K 4.4760 7.2967 118.0465 58.2302 32.1275 179.2784 140 G 3.9513 8.2528 105.1233 45.7575 0.0000 173.7233 141 C 4.2491 7.6446 121.5515 58.3550 32.0028 173.4487 142 F 3.9974 8.6275 128.1684 61.0522 38.4861 177.8231 143 L 4.1190 7.9896 117.6611 57.6726 41.6248 179.1631 144 E 3.8896 8.0917 118.1037 59.6509 29.5416 179.3433 145 Q 4.0228 8.1657 117.9210 58.9569 28.5411 179.0164 146 T 3.9880 7.9594 116.9418 66.7946 68.3815 176.8230 147 L 4.1201 8.0406 119.4364 57.1773 41.6701 179.0149 148 G 3.8242 7.7565 103.7216 44.8119 0.0000 173.0436 149 Q 4.5947 7.0908 117.6946 53.7017 31.9289 174.8056 150 A 4.2240 8.4237 121.7747 52.1675 19.1280 176.8829 151 N 5.0921 8.4774 118.1451 51.6543 41.9543 174.0588 152 T 4.4549 8.3806 117.8768 62.0606 70.0017 174.2217 153 I 4.2637 8.1881 127.1877 59.3100 38.6458 175.1182 154 R 4.1828 8.4770 126.5027 56.0071 30.7258 174.7685 155 H 5.0405 8.7031 122.1636 54.2610 31.4013 173.8467 156 R 5.2902 8.5231 119.7375 54.3902 34.4538 174.0798 157 L 4.8720 8.9765 123.5971 52.8227 44.8898 175.5817 158 K 3.6461 8.7703 127.8552 56.3264 33.1291 176.2305 159 V 4.1532 8.4233 126.8595 61.5957 34.3723 175.8378 160 G 3.6801 8.1303 118.7578 47.3615 0.0000 173.0335 161 D 4.6204 8.8209 123.8961 54.0568 40.8697 174.7720 162 T 4.7978 7.8230 114.3361 60.3164 71.7537 172.1111 163 F 5.2902 8.8364 122.1421 55.5221 41.4451 175.1960 164 I 4.6244 8.6199 117.2459 58.8755 40.5643 174.8407 165 D 5.0345 8.6402 122.8055 54.6479 41.6127 176.3508 166 A 4.2930 8.5854 123.0820 52.3198 19.0741 175.9274 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 11 R 8.25 4.09 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 12 A 7.76 3.84 -0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.80 5.33 0.00 1.86 1.91 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 2.20 2.37 0.00 14 V 9.03 4.79 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.11 0.00 0.00 15 V 9.12 5.07 2.10 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 0.94 0.00 0.00 0.98 0.00 0.00 16 F 9.54 5.32 0.00 3.32 3.08 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 17 T 9.06 5.32 4.28 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 1.23 0.00 0.00 18 C 9.23 5.16 0.00 3.03 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 19 N 9.40 5.28 0.00 2.88 2.68 0.00 0.00 6.55 7.88 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 20 G 9.33 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 0.00 0.00 0.00 0.00 21 K 8.86 5.25 0.00 1.68 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.37 7.81 22 A 8.69 4.67 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 23 V 8.41 4.32 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 0.76 0.00 0.00 1.05 0.00 0.00 24 G 8.59 3.65 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 25 K 8.55 4.13 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 *27 R 7.63 4.32 0.00 2.08 1.97 0.00 3.12 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 28 N 9.07 5.34 0.00 2.62 2.67 0.00 0.00 6.67 8.28 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 29 E 9.27 4.75 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 2.26 2.28 0.00 30 L 9.04 4.85 0.00 1.65 1.62 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.11 4.89 0.00 2.82 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 32 V 8.80 4.78 2.38 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 1.32 0.00 0.00 1.04 0.00 0.00 33 A 8.96 5.61 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 V 8.63 3.84 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 0.81 0.00 0.00 0.88 0.00 0.00 36 K 7.45 4.77 0.00 1.81 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.37 7.81 37 P 0.00 4.43 0.00 2.24 2.30 0.00 3.53 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 2.03 2.24 0.00 38 F 7.27 5.02 0.00 3.06 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 39 E 8.78 4.51 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 2.22 2.31 0.00 40 E 8.33 4.67 0.00 1.98 1.51 0.00 0.00 0.00 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 2.18 0.00 41 R 7.96 4.92 0.00 1.51 1.66 0.00 3.16 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 42 F 9.24 4.91 0.00 2.96 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 43 A 8.91 4.89 1.27 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 0.00 0.00 44 L 8.89 5.01 0.00 1.58 1.58 0.93 0.50 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 45 A 8.17 5.12 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 46 T 8.57 4.77 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 47 D 8.26 4.95 0.00 2.66 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 48 E 9.17 4.55 0.00 1.89 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 49 G 8.35 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 50 A 7.82 4.11 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 *57 S 8.72 4.17 0.00 3.92 3.90 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 58 A 8.39 4.22 1.25 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 0.00 0.00 59 P 0.00 4.32 0.00 1.78 1.60 0.00 3.73 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 1.87 1.90 0.00 60 P 0.00 4.43 0.00 2.16 2.19 0.00 2.45 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 61 P 0.00 4.14 0.00 2.01 2.05 0.00 3.48 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 2.02 2.11 0.00 62 L 7.48 3.76 0.00 0.63 0.60 -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.37 3.86 1.07 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 0.00 0.00 64 L 7.66 3.89 0.00 1.82 1.71 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.18 4.11 0.00 3.15 3.24 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 66 I 8.05 3.42 2.06 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 1.50 1.44 1.10 0.00 0.00 67 A 8.13 4.06 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 68 G 8.16 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 3.81 0.00 1.24 1.54 0.87 0.87 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 70 T 7.80 3.92 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 1.21 0.00 0.00 71 G 8.20 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.31 4.31 0.00 3.13 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 73 V 7.43 3.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 *75 T 7.81 4.23 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 1.19 0.00 0.00 76 Q 7.90 3.37 0.00 1.84 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 77 I 7.62 3.69 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.91 0.00 0.00 78 R 7.81 3.94 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 79 A 8.10 4.14 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 80 F 8.22 4.88 0.00 3.08 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 81 A 7.85 4.03 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 82 K 8.03 3.89 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 83 R 8.09 3.86 0.00 1.82 2.19 0.00 3.28 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 84 L 7.91 4.47 0.00 1.70 1.65 0.88 0.67 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 85 K 7.98 3.87 0.00 1.92 1.93 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.50 7.81 86 V 7.94 4.47 2.10 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 0.85 0.00 0.00 1.02 0.00 0.00 87 T 9.31 4.35 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 1.22 0.00 0.00 88 V 8.31 4.69 2.10 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 0.92 0.00 0.00 0.95 0.00 0.00 89 T 8.26 4.59 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 1.20 0.00 0.00 90 D 8.91 4.36 0.00 2.72 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 91 L 7.80 4.22 0.00 1.78 1.58 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.09 5.41 0.00 2.76 2.44 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 93 V 8.81 4.88 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 0.73 0.00 0.00 0.92 0.00 0.00 94 E 9.32 5.17 0.00 1.91 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 2.44 2.33 0.00 95 C 9.35 5.35 0.00 2.93 2.74 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 96 R 9.07 5.06 0.00 1.87 1.68 0.00 3.07 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 97 V 8.86 4.35 1.61 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 -1.25 0.00 0.00 0.75 0.00 0.00 98 V 7.83 4.85 1.91 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 0.89 0.00 0.00 0.84 0.00 0.00 99 W 9.55 5.40 0.00 3.36 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 0.00 100 D 9.53 5.60 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.70 5.77 0.00 3.38 3.13 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 0.00 0.00 0.00 102 A 9.24 4.74 1.25 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 0.00 0.00 103 K 8.97 4.45 0.00 1.86 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.55 7.81 104 A 9.05 4.63 1.25 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 0.00 0.00 105 G 8.02 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 0.00 106 P 0.00 4.54 0.00 2.19 2.18 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 107 V 7.68 4.57 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 0.75 0.00 0.00 0.89 0.00 0.00 108 Y 7.77 5.40 0.00 3.28 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 0.00 109 E 9.28 5.06 0.00 1.98 1.91 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 2.21 2.24 0.00 110 T 8.31 5.44 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 1.51 0.00 0.00 111 G 8.85 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 0.00 0.00 0.00 0.00 112 P 0.00 4.79 0.00 2.25 2.27 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 113 K 8.75 4.56 0.00 1.70 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.33 7.81 114 S 7.20 4.77 0.00 3.85 3.84 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 0.00 0.00 0.00 115 F 8.76 5.09 0.00 2.80 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 0.00 116 E 9.23 4.78 0.00 1.87 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 2.22 2.26 0.00 117 I 8.48 4.93 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 1.38 0.66 0.92 0.00 0.00 118 D 9.31 5.01 0.00 2.53 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 0.00 119 I 8.39 4.77 1.86 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 1.34 0.61 0.90 0.00 0.00 120 I 8.89 4.34 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.66 0.00 0.00 121 L 8.67 4.23 0.00 1.58 1.70 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.70 4.26 0.00 3.41 3.33 0.00 5.88 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.02 4.92 0.00 3.86 3.88 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 0.00 124 P 0.00 4.61 0.00 2.22 2.13 0.00 3.97 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 125 D 7.62 4.80 0.00 2.71 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 0.00 126 P 0.00 4.40 0.00 2.15 2.14 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 127 I 8.37 3.71 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 1.64 0.65 0.91 0.00 0.00 128 E 8.24 4.12 0.00 2.05 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 2.40 2.44 0.00 129 A 7.90 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.04 3.95 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 131 Q 8.55 3.99 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 132 A 8.06 3.98 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 0.00 133 L 7.94 3.93 0.00 1.82 1.90 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.92 3.74 2.01 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 1.53 0.70 0.91 0.00 0.00 135 E 8.57 3.94 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 2.50 2.47 0.00 136 A 8.37 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.59 4.00 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 0.00 138 K 8.17 3.85 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.70 7.81 139 K 7.30 4.48 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 140 G 8.25 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 0.00 0.00 0.00 141 C 7.64 4.25 0.00 3.08 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 0.00 142 F 8.63 4.00 0.00 3.10 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 0.00 143 L 7.99 4.12 0.00 1.69 1.73 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.09 3.89 0.00 2.22 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 2.36 2.37 0.00 145 Q 8.17 4.02 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 146 T 7.96 3.99 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 147 L 8.04 4.12 0.00 1.57 1.41 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.09 4.59 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 150 A 8.42 4.22 1.27 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 0.00 0.00 151 N 8.48 5.09 0.00 2.69 2.70 0.00 0.00 6.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.38 4.45 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 1.22 0.00 0.00 153 I 8.19 4.26 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.70 0.00 0.00 154 R 8.48 4.18 0.00 1.75 1.79 0.00 3.19 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 155 H 8.70 5.04 0.00 3.16 3.19 0.00 5.81 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 0.00 156 R 8.52 5.29 0.00 1.64 2.05 0.00 3.22 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 157 L 8.98 4.87 0.00 1.73 1.52 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.77 3.65 0.00 1.24 1.47 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 0.79 7.81 159 V 8.42 4.15 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 0.88 0.00 0.00 0.89 0.00 0.00 160 G 8.13 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.82 4.62 0.00 2.65 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 0.00 162 T 7.82 4.80 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 1.23 0.00 0.00 163 F 8.84 5.29 0.00 2.96 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 0.00 164 I 8.62 4.62 1.89 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 1.40 1.26 0.92 0.00 0.00 165 D 8.64 5.03 0.00 2.61 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 0.00 166 A 8.59 4.29 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 * Residues marked with a * may have inaccurate shift predictions.