NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.2471 8.5081 117.5732 52.2963 38.8921 174.9565 2 L 4.0077 8.2265 119.0946 58.6082 40.0259 177.7700 3 Y 4.0978 8.5079 118.5669 61.1147 38.2646 179.4628 4 Q 4.1243 8.3831 118.8259 58.9776 28.7784 178.6070 5 F 4.5410 8.2277 121.5917 61.3716 39.4154 177.2371 6 G 3.5671 8.4941 105.6312 47.9055 0.0000 175.5520 7 R 4.1003 8.4261 121.2975 59.3595 30.1291 178.6870 8 M 4.1891 8.3265 118.3273 58.8241 32.0637 178.6344 9 I 3.5634 7.8341 119.5744 64.3769 37.2927 178.2280 10 W 4.2758 8.3197 128.8037 60.4563 30.3252 177.4613 11 N 4.2142 8.4022 115.9206 56.8908 38.5361 176.7630 12 R 4.0840 8.0906 118.4560 58.7878 30.3225 178.2043 13 T 4.2588 8.3416 108.3690 61.4694 70.0499 175.9115 14 G 2.9911 7.4345 108.6611 45.4235 0.0000 172.7965 *16 K 4.6532 7.5613 116.1631 55.5076 33.4478 175.8235 17 L 4.2698 8.7479 120.8302 55.4355 40.6935 176.4026 18 P 3.9057 0.0000 0.0000 66.1259 32.5223 178.3139 19 I 3.7903 7.8459 119.0543 63.9438 38.6004 177.6191 20 L 4.5987 7.9295 117.5404 55.9753 40.5209 176.9648 21 S 4.7698 7.6949 112.4130 57.4901 64.4158 174.1410 22 Y 4.9261 8.0373 115.0935 56.9572 40.0984 177.3816 23 G 4.1140 8.6393 110.2234 48.3409 0.0000 174.8190 24 S 4.9583 7.8282 116.3437 58.1656 64.7977 172.7890 25 Y 4.2456 8.5096 121.5532 57.9606 39.9661 175.8954 26 G 3.8757 7.8258 115.7289 46.9044 0.0000 172.5807 27 C 4.5282 9.0494 114.4825 57.5773 41.0610 174.1284 28 Y 4.4704 8.4002 114.6064 57.4475 39.6036 175.9881 29 C 4.6030 8.4944 117.4358 59.6822 40.9129 175.4038 30 G 4.3511 7.8356 107.6603 45.0685 0.0000 171.7329 31 W 4.4148 8.8134 130.0049 57.6766 32.4054 178.1349 32 G 3.3154 6.7324 110.7116 45.0237 0.0000 170.9423 33 G 3.6905 7.6398 107.0238 43.6081 0.0000 172.2672 34 Q 4.1747 7.3011 120.8463 56.3246 30.8290 173.9659 35 G 3.8400 8.3985 106.8110 43.7791 0.0000 171.0549 36 P 4.7067 0.0000 0.0000 60.8884 32.8802 174.0789 37 P 4.6349 0.0000 0.0000 62.6612 31.7368 177.9206 38 K 3.7162 10.2791 124.3515 59.0565 32.3066 176.7189 39 D 4.3315 7.3631 114.7044 51.3355 43.5638 176.1676 40 A 3.9454 8.3351 120.5557 56.0627 18.0503 179.4877 41 T 3.8575 8.0754 113.0388 67.1459 68.6224 175.9124 42 D 4.5488 9.0039 119.9713 57.5955 41.1738 178.3564 43 R 3.8204 8.5721 119.4366 59.4059 30.1382 177.8225 44 C 4.2478 8.2200 116.4923 60.3321 40.0245 175.5075 45 C 4.2100 7.8184 116.1373 59.6386 41.1978 175.3813 46 L 3.6921 7.6036 122.4299 57.4108 41.5442 178.6147 47 V 3.4477 7.7864 117.9046 66.6457 31.4804 177.8400 48 H 3.9047 8.0361 117.0580 59.1152 29.6694 176.9057 49 D 4.2288 8.0258 120.6587 57.7559 40.5318 178.2172 50 C 4.2932 8.0746 116.3350 60.1230 39.9539 176.5605 51 C 4.1729 8.0272 119.5135 59.9473 38.5807 175.0291 52 Y 4.2344 8.0727 118.6177 60.9228 37.1436 178.3994 53 T 3.8910 7.6349 109.8970 65.0378 69.0113 176.7477 54 R 4.0156 7.5992 119.5944 57.6087 30.9344 177.9096 55 V 4.2244 7.1555 119.8818 62.0237 29.8294 176.5792 56 G 3.5251 7.6321 110.6772 48.9252 0.0000 174.0493 *59 D 4.5235 7.9829 119.7234 53.6731 42.8664 176.6189 *61 C 4.4840 7.4910 113.4804 57.1122 39.7593 173.3757 *67 S 4.9695 7.8972 114.9950 57.6483 62.4566 172.7773 68 P 3.6671 0.0000 0.0000 65.1894 31.5303 177.9768 69 K 4.3264 7.8799 116.0260 57.8776 32.5137 177.9001 70 M 4.5757 7.7377 115.5140 55.2188 33.9298 175.9755 71 T 3.8150 8.5536 117.1985 63.5455 68.6686 173.3908 72 L 4.0884 8.4514 129.4816 54.0965 42.6539 174.9745 73 Y 4.9954 7.3607 122.0606 55.1236 40.6626 174.1083 74 S 5.0689 9.6706 115.0652 56.8031 64.1626 172.3969 75 Y 5.2630 8.5245 124.2674 55.7078 41.1138 174.1378 76 R 4.3696 8.8475 116.3388 54.9339 33.6085 173.4977 77 F 5.3443 8.5432 118.2098 56.5995 40.8204 176.5533 78 E 4.5180 9.1130 122.2348 55.6346 30.8648 174.7486 79 N 4.1955 9.2170 124.4258 54.2249 35.7463 174.4977 80 G 4.1900 8.6318 107.0291 45.8688 0.0000 174.9297 81 D 4.6078 7.8880 118.4872 54.1887 41.5528 174.8336 82 I 4.7142 8.2907 123.4144 60.3576 38.6385 175.1886 83 I 4.5432 8.8263 127.8407 59.6455 40.6301 173.9597 84 C 4.9362 8.9487 125.1206 55.2461 40.5371 174.3533 85 D 4.8346 7.9324 126.3074 52.1026 38.7148 175.4721 86 N 4.8675 7.5262 118.7767 52.4439 41.7867 174.9456 *88 K 4.5898 8.3865 122.0193 56.3340 34.3014 175.7089 89 D 4.4785 7.8904 119.0202 53.0962 41.5176 174.5759 90 P 4.2199 0.0000 0.0000 66.2834 31.1884 178.9809 91 C 4.3068 8.7277 115.4328 59.8884 36.0247 176.1178 92 K 3.8404 8.1945 119.4981 59.4264 31.5998 179.4761 93 R 3.7356 8.2964 119.0507 59.3496 30.2384 178.2040 94 A 3.9092 7.9080 120.5961 55.3467 18.1899 179.8137 95 V 3.5151 7.9027 116.6500 66.0796 31.4848 177.4744 96 C 2.9654 7.6615 118.1870 59.3359 44.4291 175.4865 97 E 3.6656 8.2471 120.3421 59.4293 28.6998 178.7647 98 C 4.5260 7.7661 117.7554 59.4257 39.0002 175.7586 99 D 3.7096 7.7040 120.5403 56.6925 40.4850 178.6379 100 R 3.8368 8.0759 119.8294 59.3107 29.8570 178.0182 101 E 3.9001 8.1511 117.0513 59.6432 29.2672 178.8666 102 A 3.9779 7.6576 121.8182 54.5862 18.3578 179.2795 103 A 3.9245 8.4538 119.5268 55.6536 18.4794 179.9680 104 I 3.7900 7.9333 118.0732 64.3233 36.9472 177.8602 105 C 4.3109 8.0806 118.9968 59.5766 42.6932 175.3286 106 L 4.0366 8.2956 121.0853 57.4710 40.9145 179.5720 107 G 3.6572 7.7095 104.8302 47.1104 0.0000 174.8673 108 E 4.4019 7.8217 117.8413 57.0240 30.0226 176.6090 109 N 5.4643 7.9486 114.1685 51.3882 40.4999 176.5040 110 V 3.8210 7.9148 120.5219 64.4326 31.6587 178.1111 111 N 4.4056 8.3595 118.3602 55.3368 37.3544 176.1480 112 T 4.6802 7.7650 107.1146 61.1362 68.9961 173.6762 113 Y 4.1546 7.8832 124.3889 58.0597 39.2218 174.1275 114 D 4.8636 8.9627 126.7500 51.5077 43.1307 176.2300 115 K 3.9524 8.7225 127.5451 59.1466 32.3271 178.2647 116 K 4.0780 8.1041 119.9245 58.9360 32.5350 177.4644 117 Y 4.8056 7.5821 118.1220 58.0401 37.6384 176.0948 118 K 4.7520 7.3489 117.7075 55.8327 33.5618 176.7362 119 S 4.5178 8.0145 114.7906 59.1882 65.2026 173.7801 120 Y 4.4252 8.1817 117.6804 55.9322 39.6269 175.0771 121 E 4.7929 8.5588 123.3315 55.1007 33.8157 175.4479 122 D 4.6394 8.3585 122.3668 52.3631 40.9785 174.4516 *125 C 4.8516 7.8303 114.5493 56.5904 39.7906 173.9629 126 T 4.1036 7.9455 121.9814 63.1380 68.7626 174.9747 127 E 4.2623 8.4939 119.0212 57.0553 30.4532 176.7356 128 E 4.0219 7.9264 119.8844 56.1382 30.3246 175.9140 129 V 4.0980 8.2584 123.5614 61.6439 31.8176 175.3444 130 Q 4.1956 7.8577 125.7293 55.5935 30.0132 174.8009 131 E 4.0252 8.3227 120.8317 55.8260 30.3840 177.0124 *133 C 5.0968 8.6042 121.4718 57.5012 41.6885 173.5881 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 1 N 8.51 5.25 0.00 3.02 3.04 0.00 0.00 5.87 5.79 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 2 L 8.23 4.01 0.00 2.01 2.00 -0.08 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.51 4.10 0.00 3.31 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 4 Q 8.38 4.12 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 5 F 8.23 4.54 0.00 3.19 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.49 3.57 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 0.00 7 R 8.43 4.10 0.00 2.27 2.29 0.00 3.34 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 8 M 8.33 4.19 0.00 2.12 2.43 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 9 I 7.83 3.56 1.82 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.16 0.61 0.00 0.00 10 W 8.32 4.28 0.00 3.49 3.38 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 11 N 8.40 4.21 0.00 3.03 3.25 0.00 0.00 7.33 7.25 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 12 R 8.09 4.08 0.00 1.83 1.97 0.00 3.42 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 13 T 8.34 4.26 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 1.13 0.00 0.00 14 G 7.43 2.99 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 *16 K 7.56 4.65 0.00 1.86 1.74 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.25 7.81 17 L 8.75 4.27 0.00 1.80 1.72 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.91 0.00 2.21 1.89 0.00 3.69 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 19 I 7.85 3.79 1.91 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 1.53 1.69 0.95 0.00 0.00 20 L 7.93 4.60 0.00 1.82 1.80 0.96 0.55 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 21 S 7.69 4.77 0.00 3.80 3.33 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 22 Y 8.04 4.93 0.00 3.07 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 23 G 8.64 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.83 4.96 0.00 4.09 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 25 Y 8.51 4.25 0.00 3.06 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 26 G 7.83 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 0.00 0.00 0.00 27 C 9.05 4.53 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.40 4.47 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 29 C 8.49 4.60 0.00 3.40 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 30 G 7.84 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 0.00 0.00 0.00 0.00 31 W 8.81 4.41 0.00 3.31 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 32 G 6.73 3.32 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 0.00 33 G 7.64 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 0.00 0.00 0.00 34 Q 7.30 4.17 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 35 G 8.40 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 0.00 0.00 0.00 36 P 0.00 4.71 0.00 2.21 2.08 0.00 3.89 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 1.98 1.99 0.00 37 P 0.00 4.63 0.00 2.16 1.97 0.00 3.59 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 2.00 1.90 0.00 38 K 10.28 3.72 0.00 1.00 0.87 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.33 7.81 39 D 7.36 4.33 0.00 2.89 2.51 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 40 A 8.34 3.95 1.42 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 0.00 0.00 0.00 41 T 8.08 3.86 4.49 0.00 0.00 0.00 0.00 0.00 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 42 D 9.00 4.55 0.00 3.01 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 43 R 8.57 3.82 0.00 1.82 2.11 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 44 C 8.22 4.25 0.00 3.22 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 45 C 7.82 4.21 0.00 3.24 3.42 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 0.00 46 L 7.60 3.69 0.00 1.19 1.57 0.51 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.79 3.45 2.17 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 0.95 0.00 0.00 0.90 0.00 0.00 48 H 8.04 3.90 0.00 3.25 3.28 0.00 5.65 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 49 D 8.03 4.23 0.00 3.04 2.70 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 50 C 8.07 4.29 0.00 3.06 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 51 C 8.03 4.17 0.00 3.11 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 52 Y 8.07 4.23 0.00 3.08 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 53 T 7.63 3.89 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 1.27 0.00 0.00 54 R 7.60 4.02 0.00 1.77 2.03 0.00 3.13 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 55 V 7.16 4.22 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 0.71 0.00 0.00 0.94 0.00 0.00 56 G 7.63 3.53 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 0.00 0.00 0.00 *59 D 7.98 4.52 0.00 2.80 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 *61 C 7.49 4.48 0.00 2.96 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 *67 S 7.90 4.97 0.00 3.88 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 68 P 0.00 3.67 0.00 1.19 0.49 0.00 3.48 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 1.67 1.84 0.00 69 K 7.88 4.33 0.00 1.86 1.92 0.00 1.80 0.00 0.00 2.08 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.76 1.56 7.81 70 M 7.74 4.58 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 71 T 8.55 3.81 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 1.28 0.00 0.00 72 L 8.45 4.09 0.00 1.55 1.56 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.36 5.00 0.00 3.21 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 74 S 9.67 5.07 0.00 3.93 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 75 Y 8.52 5.26 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.85 4.37 0.00 1.81 1.89 0.00 2.87 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 77 F 8.54 5.34 0.00 3.01 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 78 E 9.11 4.52 0.00 1.93 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 2.29 2.32 0.00 79 N 9.22 4.20 0.00 2.90 2.98 0.00 0.00 7.45 7.65 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 80 G 8.63 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.89 4.61 0.00 3.04 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 82 I 8.29 4.71 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.90 0.00 0.00 83 I 8.83 4.54 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.92 0.00 0.00 84 C 8.95 4.94 0.00 2.94 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 85 D 7.93 4.83 0.00 2.79 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 86 N 7.53 4.87 0.00 2.77 2.69 0.00 0.00 7.02 5.98 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 *88 K 8.39 4.59 0.00 1.82 1.90 0.00 1.76 0.00 0.00 2.61 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.35 7.81 89 D 7.89 4.48 0.00 2.72 2.58 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 90 P 0.00 4.22 0.00 2.18 2.09 0.00 3.65 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 2.11 2.19 0.00 91 C 8.73 4.31 0.00 3.14 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 92 K 8.19 3.84 0.00 1.85 2.13 0.00 1.70 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.73 1.62 7.81 93 R 8.30 3.74 0.00 1.90 1.93 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 94 A 7.91 3.91 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 95 V 7.90 3.52 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 1.03 0.00 0.00 0.90 0.00 0.00 96 C 7.66 2.97 0.00 2.29 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 97 E 8.25 3.67 0.00 2.06 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 2.43 2.43 0.00 98 C 7.77 4.53 0.00 3.21 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 99 D 7.70 3.71 0.00 2.60 2.57 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 0.00 100 R 8.08 3.84 0.00 1.89 1.85 0.00 3.27 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 101 E 8.15 3.90 0.00 2.21 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 0.00 2.44 2.33 0.00 102 A 7.66 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.45 3.92 1.48 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 0.00 0.00 104 I 7.93 3.79 1.99 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 1.43 0.94 0.91 0.00 0.00 105 C 8.08 4.31 0.00 3.06 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 0.00 106 L 8.30 4.04 0.00 1.51 1.39 0.33 1.12 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 0.00 107 G 7.71 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 E 7.82 4.40 0.00 1.97 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 2.32 2.64 0.00 109 N 7.95 5.46 0.00 2.77 2.81 0.00 0.00 6.97 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 0.00 110 V 7.91 3.82 2.18 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 0.80 0.00 0.00 0.85 0.00 0.00 111 N 8.36 4.41 0.00 2.92 3.14 0.00 0.00 5.93 7.22 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 0.00 112 T 7.76 4.68 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 113 Y 7.88 4.15 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.96 4.86 0.00 2.66 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 0.00 0.00 0.00 0.00 115 K 8.72 3.95 0.00 2.04 2.20 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 116 K 8.10 4.08 0.00 1.78 1.88 0.00 0.96 0.00 0.00 1.05 0.00 0.00 2.50 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 0.41 7.81 117 Y 7.58 4.81 0.00 1.95 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 0.00 0.00 0.00 118 K 7.35 4.75 0.00 1.81 1.91 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.34 7.81 119 S 8.01 4.52 0.00 3.92 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 0.00 120 Y 8.18 4.43 0.00 3.02 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 0.00 121 E 8.56 4.79 0.00 1.86 1.77 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 2.28 2.31 0.00 122 D 8.36 4.64 0.00 2.76 2.58 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 *125 C 7.83 4.85 0.00 2.92 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 0.00 126 T 7.95 4.10 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 0.00 127 E 8.49 4.26 0.00 2.07 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 0.00 2.27 2.24 0.00 128 E 7.93 4.02 0.00 2.19 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 2.38 2.33 0.00 129 V 8.26 4.10 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 0.81 0.00 0.00 0.94 0.00 0.00 130 Q 7.86 4.20 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 131 E 8.32 4.03 0.00 2.02 1.76 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 2.53 2.31 0.00 *133 C 8.60 5.10 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.