NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 N 4.7888 8.2833 119.4672 53.5770 40.8469 172.8271 25 Q 4.9480 8.5853 122.7872 53.7924 32.5793 173.0078 26 I 4.7432 9.6894 125.7275 59.6765 41.1781 173.6949 27 D 5.2137 10.0047 127.7807 52.7980 43.0839 175.6062 28 L 4.9563 9.0045 124.1139 52.9669 43.8740 174.9924 29 N 5.1477 9.0202 122.7742 52.9096 39.5968 174.9767 30 V 5.1042 8.4258 117.3751 59.8226 34.8599 175.7363 31 T 4.6106 8.3213 114.0871 60.3230 70.9465 173.5900 32 C 4.5018 8.8590 118.6314 57.4805 37.6774 173.9697 33 R 4.6858 8.5048 120.5325 55.6302 31.8180 175.3372 34 Y 4.7903 8.8031 120.2465 56.0689 41.0703 175.8146 35 A 4.1378 8.9503 129.1959 51.9976 17.0326 178.0209 36 G 3.9493 8.2016 107.7859 46.4776 0.0000 173.5452 37 V 4.8868 8.0118 121.7986 62.0134 32.8522 174.8979 38 F 5.1800 9.1089 121.9676 55.5068 42.2684 172.5852 39 H 5.2560 9.3766 119.1539 54.5249 32.3024 173.3295 40 V 4.8189 8.6112 124.8147 60.9862 34.6441 173.4605 41 E 4.8198 9.0881 129.0705 54.2751 31.8903 174.1437 42 K 4.7551 8.8392 128.6177 57.0078 33.4415 176.4386 43 N 4.0162 9.9933 126.8249 54.4935 38.3396 177.4584 44 G 3.8994 9.0795 109.1087 44.7031 0.0000 173.5833 45 R 3.5539 8.4156 119.4778 58.1289 30.6185 176.0854 46 Y 3.9521 9.0324 123.3077 59.9983 35.3078 170.3312 47 S 4.8429 8.0398 108.3337 57.7985 64.7379 173.9034 48 I 4.4650 7.9913 122.8581 60.0535 38.7045 175.9526 49 S 4.6795 8.1978 120.0340 57.3128 65.8317 175.2934 50 R 2.5100 8.0565 121.2236 59.1399 29.7355 178.4160 51 T 3.7835 7.5559 109.2686 64.7259 68.8742 176.1625 52 E 4.0140 8.1021 121.8204 58.6783 29.5817 178.5979 53 A 4.0282 8.2056 120.9700 55.1071 18.4684 179.3925 54 A 3.9636 7.7779 118.9141 55.5955 18.5030 179.6279 55 D 4.4615 8.1619 117.2417 57.2699 40.7306 178.8569 56 L 3.7206 8.4345 121.2909 58.3640 42.1045 178.2658 57 C 4.4401 8.4220 116.5557 60.2767 40.4137 175.8438 58 Q 4.0490 8.2348 120.7641 59.3968 28.5318 178.4010 59 A 4.1017 8.2367 121.5740 54.7762 18.0349 178.4787 60 F 4.6451 7.6642 114.2096 56.5616 39.2964 175.0752 61 N 4.4076 8.1256 114.8735 53.8659 37.6765 173.2249 62 S 5.1447 8.4223 110.9541 56.6302 67.4708 173.2867 63 T 4.8874 8.6177 109.5376 59.6230 72.4160 173.4659 64 L 4.4883 8.5832 122.5980 54.3093 42.2482 175.6251 65 P 4.6936 0.0000 0.0000 62.9334 32.8002 176.3716 66 T 4.4174 8.9597 113.3274 61.0416 70.0729 175.5820 67 M 3.9643 8.5139 121.0069 58.8699 32.1914 177.9028 68 D 4.2942 7.9728 118.5447 57.4619 41.0335 178.5540 69 Q 3.8260 7.8797 118.5120 59.1395 28.5809 178.6922 70 M 4.0422 7.9598 119.1632 58.5136 32.2509 178.4543 71 K 3.9411 8.2562 118.9317 59.2907 32.0853 179.1176 72 L 3.9489 8.0456 120.4486 57.9589 42.0282 178.8090 73 A 4.0904 8.0314 120.8066 55.0990 18.3034 179.2201 74 L 4.2807 8.4343 120.4982 57.8949 41.9559 179.3166 75 S 4.1397 7.8840 112.6639 61.2462 62.7964 175.7346 76 K 4.4287 7.5341 119.1616 56.0401 32.1562 177.1850 77 G 4.0770 7.8676 107.3862 44.8958 0.0000 173.7046 78 F 3.9254 8.2602 124.4006 57.4690 40.0651 174.1029 79 E 4.5669 8.0942 123.1879 55.0522 32.5617 173.9508 80 T 4.5659 7.9170 110.2760 59.6953 72.6534 172.5483 81 C 4.8940 8.2824 119.3758 55.6718 43.8835 173.7934 82 R 4.9345 7.6953 116.7784 54.5801 34.1221 176.0873 83 Y 4.4574 9.4408 122.2600 58.3369 39.1331 175.1678 84 G 4.7350 8.9933 108.8048 45.7767 0.0000 172.4481 85 F 5.0560 8.5954 121.0714 57.5875 39.8533 174.8695 86 I 5.1187 8.6395 117.0450 58.6433 40.2200 173.5203 87 E 4.1575 8.8869 122.5076 58.1392 29.3667 176.5259 88 G 4.1533 10.2820 115.3225 45.4020 0.0000 171.8783 89 N 5.0693 7.6357 115.4253 52.0166 44.2812 173.4028 90 V 4.6400 8.1816 119.2552 61.4597 33.8324 174.7817 91 V 5.1172 9.0563 120.2087 59.7578 36.7357 174.4213 92 I 4.9445 8.7357 122.3363 58.8975 40.9244 173.1737 93 P 4.7098 0.0000 0.0000 62.4037 32.9623 175.2436 94 R 4.6431 8.8689 123.0463 54.8080 32.8634 176.0541 95 I 3.7375 9.0796 125.8548 63.5294 37.8608 175.7810 96 H 4.7564 7.9528 116.0446 53.2102 29.9608 173.3366 97 P 4.3081 0.0000 0.0000 62.6947 31.7853 175.1803 98 N 4.9319 8.4233 120.5760 51.1620 42.1091 174.8647 99 A 3.9658 8.6606 127.6104 54.4551 18.7632 178.7113 100 I 4.3213 8.1163 107.5570 60.6422 37.6826 175.2900 101 C 4.5441 7.4720 117.6200 55.9596 42.7255 173.0983 102 A 3.1370 8.6484 129.5028 53.2474 16.1567 176.7364 103 A 4.0620 8.8031 116.2374 53.7866 15.9891 178.4597 104 N 4.3805 8.3501 114.3057 54.0538 37.3860 175.3840 105 H 4.4953 7.8392 115.7258 55.4326 29.5767 174.6698 106 T 4.6085 8.4216 111.0758 60.4683 71.7045 174.1997 107 G 3.6562 9.0939 108.9702 44.2146 0.0000 172.6641 108 V 4.0850 7.8102 119.1836 62.0988 31.2067 174.9998 109 Y 4.2848 8.9224 130.4171 57.0438 39.9481 173.9597 110 I 4.4347 7.3630 127.5471 59.7544 38.6348 175.2089 111 L 4.0261 8.7782 130.4564 55.3851 41.8334 176.4413 112 V 3.9048 8.5250 125.8052 64.3735 32.4148 175.9271 113 T 4.5539 7.5412 115.1798 61.7465 71.0956 173.0915 114 S 4.6329 8.2334 119.5528 56.8792 65.3955 173.8714 115 N 4.5009 8.8244 123.9733 55.3131 38.6734 175.1527 116 T 4.6610 7.4835 106.4577 59.7359 71.3243 173.9229 117 S 4.7689 8.4078 114.3785 58.1952 64.2302 173.3788 118 H 5.1099 7.5967 118.6764 54.4866 30.6328 172.6543 119 Y 4.7288 8.5258 121.9365 56.9410 42.5930 173.8637 120 D 5.0602 8.8190 120.1613 54.5922 43.5717 175.3500 121 T 5.0982 8.3827 112.4301 61.0675 71.0523 172.5796 122 Y 5.0703 8.6435 123.3695 56.8615 40.1553 174.4352 123 C 5.2280 8.6768 118.5407 55.1619 43.9169 172.8259 124 F 5.3971 9.4083 122.7461 56.6919 42.2824 173.0795 125 N 4.5728 8.9041 126.0276 51.4725 39.4891 174.9136 126 A 3.7114 7.9738 130.3172 55.0523 18.5758 178.3391 127 S 4.2431 7.9096 109.6296 59.5224 63.2422 174.5109 128 A 4.1330 7.4604 123.5055 50.7847 18.7220 175.5115 129 P 4.4228 0.0000 0.0000 62.1502 31.9621 175.4253 130 P 4.4165 0.0000 0.0000 64.5958 32.3513 175.7514 131 E 4.8474 7.9633 120.5935 56.1763 32.9125 175.8813 132 E 3.9315 8.7941 129.2640 56.9298 30.6099 175.6992 133 D 4.5426 8.9415 126.7080 52.6544 43.5931 174.6003 134 C 4.9216 8.4638 122.5956 56.6471 40.7191 174.6150 135 T 4.1558 7.6553 110.3144 61.2565 68.9398 174.4212 136 S 4.3578 8.2181 119.0048 58.4032 63.5208 174.2889 137 V 3.7782 8.8273 125.5932 62.6780 31.6749 175.8880 138 T 4.3212 8.1048 115.3767 61.2272 69.4686 172.9029 139 D 3.9591 7.2352 120.1582 53.4506 44.3474 173.5314 140 L 4.5845 8.0130 125.5765 51.9273 41.4186 174.7740 141 P 4.4262 0.0000 0.0000 64.3415 31.3968 177.8913 142 N 4.8296 8.5640 115.3442 52.7585 38.6973 174.8530 143 S 4.3597 7.7410 113.8508 58.4892 64.1236 173.2309 144 F 5.1081 8.0440 116.4878 54.5260 41.3099 173.7099 145 D 4.7017 9.1502 118.5100 54.6624 41.4999 175.5162 146 G 4.1035 8.1107 111.2849 46.0891 0.0000 170.8763 147 P 4.6665 0.0000 0.0000 62.9622 32.3867 176.0516 148 V 4.0606 7.6415 120.8965 62.8077 33.0626 175.1219 149 T 4.6515 8.6632 124.6596 63.3078 69.5333 173.6555 150 I 4.8083 9.1517 129.1362 59.8858 39.5181 174.9795 151 T 4.9945 8.7746 124.4070 61.7042 71.4207 173.4505 152 I 4.6357 9.1769 128.4995 60.7166 38.8590 174.9665 153 V 4.6280 8.8427 127.9923 61.2279 33.4807 174.9990 154 N 4.9897 8.8393 125.7536 51.9775 39.7562 176.3406 155 R 4.0011 8.5815 120.5880 59.4685 30.1672 177.0520 156 D 4.5590 8.0618 114.5770 53.4077 39.6961 177.0478 157 G 4.0015 8.4511 110.0690 45.3326 0.0000 174.2265 158 T 4.0866 8.2296 111.4462 61.9549 69.6429 173.7732 159 R 5.3618 8.6336 123.4281 54.5767 33.7952 174.4236 160 Y 4.7719 8.8559 122.2366 56.0874 41.9550 174.2206 161 S 5.2284 8.0661 121.9236 56.7121 66.1109 173.2854 162 K 4.4583 8.5523 120.4972 55.5059 36.3406 174.4389 163 K 4.6738 8.3722 122.7799 55.0293 33.3014 176.7556 164 G 3.9890 8.5879 114.7355 46.5191 0.0000 171.1977 165 E 4.7047 7.5913 120.4800 55.2038 32.7768 175.9703 166 Y 4.2511 7.3352 118.5953 56.0445 39.6254 175.6569 167 R 4.3290 7.7922 121.2177 55.9965 30.5510 176.3101 168 T 4.4824 9.0673 112.1109 61.5078 69.9070 173.7072 169 H 4.8354 7.8371 120.5970 53.8713 30.9963 174.5618 170 Q 3.9794 8.8979 125.8931 59.2276 29.1754 177.9466 171 E 3.9775 8.4135 115.9404 59.7403 29.4999 178.0749 172 D 4.5023 7.9512 116.6326 55.9688 40.5897 176.5726 173 I 3.7963 7.2158 122.9375 63.2688 38.0150 176.1681 *174 D 4.4415 7.8220 125.8321 53.7024 40.3393 177.5971 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 N 8.28 4.79 0.00 2.77 2.73 0.00 0.00 6.82 6.15 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 25 Q 8.59 4.95 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 26 I 9.69 4.74 1.98 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 1.29 0.80 1.07 0.00 0.00 27 D 10.00 5.21 0.00 2.66 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 28 L 9.00 4.96 0.00 1.68 1.78 0.73 0.45 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 29 N 9.02 5.15 0.00 2.79 2.80 0.00 0.00 6.57 6.96 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 30 V 8.43 5.10 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 0.81 0.00 0.00 0.91 0.00 0.00 31 T 8.32 4.61 4.55 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 1.53 0.00 0.00 32 C 8.86 4.50 0.00 2.96 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 33 R 8.50 4.69 0.00 1.58 1.71 0.00 2.21 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 34 Y 8.80 4.79 0.00 2.70 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 35 A 8.95 4.14 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 36 G 8.20 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 37 V 8.01 4.89 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 0.98 0.00 0.00 1.09 0.00 0.00 38 F 9.11 5.18 0.00 3.11 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 39 H 9.38 5.26 0.00 3.69 3.50 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.61 4.82 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 1.00 0.00 0.00 0.70 0.00 0.00 41 E 9.09 4.82 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 42 K 8.84 4.76 0.00 1.89 1.79 0.00 2.31 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.59 7.81 43 N 9.99 4.02 0.00 2.87 2.40 0.00 0.00 7.03 6.72 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 44 G 9.08 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 0.00 0.00 0.00 45 R 8.42 3.55 0.00 1.61 1.76 0.00 3.14 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.75 0.00 46 Y 9.03 3.95 0.00 3.14 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 47 S 8.04 4.84 0.00 4.01 3.97 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 48 I 7.99 4.46 2.28 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 1.07 0.00 0.00 49 S 8.20 4.68 0.00 3.98 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 50 R 8.06 2.51 0.00 1.47 1.74 0.00 3.09 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 51 T 7.56 3.78 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 1.02 0.00 0.00 52 E 8.10 4.01 0.00 2.13 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 2.56 2.52 0.00 53 A 8.21 4.03 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 54 A 7.78 3.96 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 55 D 8.16 4.46 0.00 3.09 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 56 L 8.43 3.72 0.00 1.99 1.90 0.09 0.88 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 57 C 8.42 4.44 0.00 3.09 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 58 Q 8.23 4.05 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 59 A 8.24 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.66 4.65 0.00 3.30 3.17 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 0.00 61 N 8.13 4.41 0.00 2.85 2.89 0.00 0.00 6.93 6.95 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 62 S 8.42 5.14 0.00 4.05 3.97 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 63 T 8.62 4.89 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 1.31 0.00 0.00 64 L 8.58 4.49 0.00 1.62 1.83 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.69 0.00 2.09 1.97 0.00 3.73 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 66 T 8.96 4.42 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 1.19 0.00 0.00 67 M 8.51 3.96 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 68 D 7.97 4.29 0.00 2.66 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 69 Q 7.88 3.83 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 70 M 7.96 4.04 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 71 K 8.26 3.94 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 72 L 8.05 3.95 0.00 1.75 1.78 0.93 0.86 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 A 8.03 4.09 1.60 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 0.00 0.00 74 L 8.43 4.28 0.00 1.86 1.82 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.88 4.14 0.00 4.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.53 4.43 0.00 2.04 2.04 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.83 1.68 7.81 77 G 7.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.26 3.93 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.09 4.57 0.00 1.91 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 2.05 2.16 0.00 80 T 7.92 4.57 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 81 C 8.28 4.89 0.00 2.84 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 82 R 7.70 4.93 0.00 1.62 2.00 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 83 Y 9.44 4.46 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.99 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.60 5.06 0.00 3.18 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 86 I 8.64 5.12 2.15 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 1.33 1.01 0.99 0.00 0.00 87 E 8.89 4.16 0.00 1.96 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 2.34 2.32 0.00 88 G 10.28 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 89 N 7.64 5.07 0.00 2.76 2.63 0.00 0.00 6.32 7.56 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 90 V 8.18 4.64 1.63 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 0.12 0.00 0.00 0.44 0.00 0.00 91 V 9.06 5.12 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 0.72 0.00 0.00 0.82 0.00 0.00 92 I 8.74 4.94 1.71 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.24 0.74 0.00 0.00 93 P 0.00 4.71 0.00 1.91 1.90 0.00 3.41 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.00 94 R 8.87 4.64 0.00 1.75 1.80 0.00 3.22 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 95 I 9.08 3.74 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.63 0.00 0.00 96 H 7.95 4.76 0.00 3.10 3.19 0.00 5.70 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 97 P 0.00 4.31 0.00 2.14 2.16 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 98 N 8.42 4.93 0.00 2.65 2.59 0.00 0.00 7.08 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 99 A 8.66 3.97 1.29 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 0.00 0.00 0.00 100 I 8.12 4.32 1.87 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 1.39 0.74 0.91 0.00 0.00 101 C 7.47 4.54 0.00 2.83 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 0.00 102 A 8.65 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.80 4.06 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 0.00 104 N 8.35 4.38 0.00 2.83 2.90 0.00 0.00 6.87 7.69 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 0.00 105 H 7.84 4.50 0.00 3.05 3.25 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 0.00 106 T 8.42 4.61 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 1.21 0.00 0.00 107 G 9.09 3.66 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 0.00 0.00 0.00 108 V 7.81 4.08 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 0.68 0.00 0.00 0.87 0.00 0.00 109 Y 8.92 4.28 0.00 3.08 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 0.00 110 I 7.36 4.43 1.55 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.76 0.00 0.00 111 L 8.78 4.03 0.00 1.48 1.46 0.41 0.28 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 0.00 112 V 8.52 3.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.86 0.00 0.00 113 T 7.54 4.55 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 1.20 0.00 0.00 114 S 8.23 4.63 0.00 3.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.82 4.50 0.00 2.73 2.85 0.00 0.00 6.78 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 0.00 116 T 7.48 4.66 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 117 S 8.41 4.77 0.00 4.09 4.03 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 0.00 118 H 7.60 5.11 0.00 2.98 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.53 4.73 0.00 2.18 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 0.00 120 D 8.82 5.06 0.00 2.85 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 0.00 121 T 8.38 5.10 4.46 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 1.20 0.00 0.00 122 Y 8.64 5.07 0.00 3.15 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 0.00 123 C 8.68 5.23 0.00 1.34 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 0.00 124 F 9.41 5.40 0.00 3.05 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 0.00 125 N 8.90 4.57 0.00 2.82 2.54 0.00 0.00 6.63 7.91 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 0.00 126 A 7.97 3.71 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 0.00 127 S 7.91 4.24 0.00 3.93 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 0.00 128 A 7.46 4.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.42 0.00 1.98 1.96 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 130 P 0.00 4.42 0.00 2.12 2.32 0.00 3.63 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 2.07 2.00 0.00 131 E 7.96 4.85 0.00 1.86 1.67 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 2.29 2.21 0.00 132 E 8.79 3.93 0.00 1.90 1.75 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 2.03 1.56 0.00 133 D 8.94 4.54 0.00 2.59 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 0.00 0.00 0.00 134 C 8.46 4.92 0.00 2.93 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 0.00 135 T 7.66 4.16 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 1.19 0.00 0.00 136 S 8.22 4.36 0.00 3.85 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 0.00 137 V 8.83 3.78 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 0.77 0.00 0.00 0.62 0.00 0.00 138 T 8.10 4.32 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 1.19 0.00 0.00 139 D 7.24 3.96 0.00 2.31 2.30 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 0.00 140 L 8.01 4.58 0.00 1.55 1.39 -0.68 0.53 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 0.00 141 P 0.00 4.43 0.00 2.22 2.15 0.00 3.50 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 142 N 8.56 4.83 0.00 3.00 2.93 0.00 0.00 6.67 7.12 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 0.00 143 S 7.74 4.36 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.04 5.11 0.00 3.11 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 0.00 145 D 9.15 4.70 0.00 2.79 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 0.00 146 G 8.11 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 0.00 147 P 0.00 4.67 0.00 2.17 2.16 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 148 V 7.64 4.06 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 0.85 0.00 0.00 0.92 0.00 0.00 149 T 8.66 4.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 150 I 9.15 4.81 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.90 0.00 0.00 151 T 8.77 4.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 152 I 9.18 4.64 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 1.11 0.00 0.00 153 V 8.84 4.63 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 1.01 0.00 0.00 0.97 0.00 0.00 154 N 8.84 4.99 0.00 3.04 2.71 0.00 0.00 6.19 7.16 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 0.00 155 R 8.58 4.00 0.00 1.82 2.01 0.00 3.29 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 156 D 8.06 4.56 0.00 2.81 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 0.00 157 G 8.45 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 0.00 158 T 8.23 4.09 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 1.32 0.00 0.00 159 R 8.63 5.36 0.00 1.70 1.86 0.00 3.16 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 160 Y 8.86 4.77 0.00 3.07 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 0.00 161 S 8.07 5.23 0.00 3.55 3.56 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 0.00 162 K 8.55 4.46 0.00 1.72 1.64 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.36 7.81 163 K 8.37 4.67 0.00 1.74 1.71 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.40 7.81 164 G 8.59 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.59 4.70 0.00 1.82 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 166 Y 7.34 4.25 0.00 2.96 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 0.00 167 R 7.79 4.33 0.00 1.67 1.82 0.00 2.97 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.00 168 T 9.07 4.48 4.16 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 1.35 0.00 0.00 169 H 7.84 4.84 0.00 3.37 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.90 3.98 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 171 E 8.41 3.98 0.00 1.99 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 2.34 2.44 0.00 172 D 7.95 4.50 0.00 2.83 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 0.00 173 I 7.22 3.80 1.96 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 1.08 0.65 0.88 0.00 0.00 *174 D 7.82 4.44 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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.