NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3787 8.3049 120.3475 55.1214 33.3948 174.8159 2 I 3.8339 8.2061 126.9899 60.6826 37.6353 173.0205 3 E 4.1092 9.0770 125.3477 57.0953 30.8887 176.9292 4 G 3.9013 7.4252 103.9773 44.2050 0.0000 171.3239 5 L 4.0942 7.8619 122.1456 54.8950 42.4936 176.9174 6 S 4.4638 8.3612 121.4646 59.9835 62.9744 173.1095 7 H 5.0238 7.1488 113.4909 54.6566 31.2463 171.6101 8 M 4.5269 8.5762 116.4748 53.6173 33.9604 174.6063 9 T 4.8718 7.8559 117.5776 61.6680 71.6582 173.1709 10 F 5.0102 8.9367 124.8554 55.7082 42.2454 174.3311 11 I 5.0385 8.6093 123.7084 60.3844 38.4970 175.5726 12 V 4.7592 8.7946 118.8885 59.8364 35.7191 177.0259 13 R 4.3581 9.6599 122.8429 58.0124 30.3460 176.8577 14 D 4.7241 7.7990 116.5359 51.5246 43.0227 175.4164 15 L 4.1235 8.4693 127.8364 57.6794 41.7961 179.2480 16 E 4.0037 8.2414 118.0400 59.4639 29.5141 179.1518 17 R 3.8994 8.2833 118.7730 59.6231 30.0707 178.1383 18 M 4.0213 8.2575 118.0341 58.8404 32.1102 178.1089 19 T 3.7984 8.0970 115.9059 66.9451 68.7223 176.6921 20 R 3.9113 7.8616 119.5119 59.1058 29.9919 179.0586 21 I 3.5603 7.8904 119.7542 64.6017 37.2053 178.5730 22 L 4.0970 7.9895 119.8070 57.6936 41.1965 179.5301 23 E 4.1837 8.4892 119.2209 59.1978 29.2000 179.6123 24 G 3.4257 8.2413 105.3008 47.4617 0.0000 175.6383 25 V 3.5241 7.6203 119.7931 64.6438 31.8205 177.3004 26 F 4.7265 7.6239 112.8911 55.9591 39.6944 174.7714 27 D 4.4638 8.0269 116.6494 54.5654 40.1572 173.3373 28 A 4.4181 7.8809 117.6684 52.1622 19.4149 177.8613 29 R 4.6495 9.1694 121.6814 54.3210 32.4503 174.7069 30 E 3.9588 9.0832 128.2500 56.3766 29.6918 176.4363 31 V 4.3730 8.4810 119.8569 61.6450 33.7212 175.3011 32 Y 4.7683 7.3838 120.0583 56.3828 42.4154 172.9167 33 A 4.2589 7.3064 126.6475 49.8575 22.0479 177.2535 34 S 3.9125 8.3914 117.4927 60.2957 63.2807 176.4363 35 D 4.3147 7.7447 119.9634 57.1805 40.5823 177.3214 36 T 3.9810 7.4631 114.3441 64.7470 68.5141 174.0932 37 E 4.5548 7.7582 123.9056 55.2323 31.3408 176.6312 38 Q 4.0192 8.5432 119.7337 55.8878 29.5718 176.5755 39 F 3.9346 7.4747 116.7932 58.9913 36.2559 176.4372 40 S 4.7684 7.4438 115.9150 56.4825 64.1321 173.5480 41 L 4.1983 8.7243 128.5305 57.6011 41.8511 178.0807 42 S 4.3781 7.8772 111.4786 58.0581 64.0288 173.2509 43 R 4.7910 8.5054 121.1379 54.4669 32.7810 174.4835 44 E 5.3548 9.3483 121.5210 54.7221 33.7065 174.5618 45 K 4.9558 9.3289 119.2441 54.8306 36.9662 175.1966 46 F 6.0536 8.8988 121.1674 56.1546 41.9950 174.6990 47 F 5.5253 10.1536 120.5566 55.8048 43.6013 173.6410 48 L 5.2756 9.2063 120.9181 53.2954 44.6076 175.8525 49 I 4.4425 8.8563 125.0132 59.4106 38.7187 177.9156 50 G 3.9248 8.9212 120.8888 46.8860 0.0000 172.2881 51 D 4.8209 9.1768 121.2143 52.6280 39.7894 175.5881 52 I 4.2068 7.9112 122.6091 60.4383 38.0995 174.4436 53 W 5.1453 8.8900 135.0000 56.8086 31.9984 174.6711 54 V 5.0391 9.3605 127.7992 61.1069 33.6444 173.9326 55 A 5.7962 9.1402 129.9540 50.1958 21.7714 175.0754 56 I 5.2870 9.3262 115.3795 59.4972 41.0881 174.5050 57 M 5.3469 8.8984 123.0739 53.4824 36.2785 174.4423 58 Q 4.5693 9.0152 124.7800 56.5239 29.8599 175.9261 59 G 4.1387 8.6346 112.5702 47.0214 0.0000 172.3806 60 E 4.5677 9.1893 123.7423 56.0294 30.6552 177.1897 61 K 4.3566 8.2658 122.8620 53.7427 32.6765 177.5170 62 L 4.1379 7.9070 118.1587 55.5517 42.1097 177.5538 63 A 4.1700 8.8777 126.7148 54.8625 18.3982 177.4253 64 E 4.7945 7.6399 111.5668 54.2592 33.5056 175.8650 65 R 4.2308 8.2956 119.7662 56.2929 30.8126 176.1084 66 S 4.6768 8.2160 114.2768 57.7525 66.1077 172.8825 67 Y 4.5041 8.4410 118.7985 57.2794 38.6072 175.0387 68 N 4.4296 7.6654 117.0587 54.2661 39.0592 173.8528 69 H 4.8413 8.0198 116.2069 54.6210 31.6430 172.5911 70 I 4.4785 7.9016 119.8111 59.3965 39.9841 174.3744 71 A 5.2706 8.3700 127.7195 50.2154 21.2424 175.3815 72 F 4.7290 9.3152 121.4510 55.7055 41.9428 174.8154 73 K 4.9781 8.6833 123.0800 55.5849 33.3469 175.5156 74 I 4.7558 8.4324 119.5734 59.0964 41.9155 173.6432 75 D 4.9640 8.4995 121.2421 53.0824 42.5053 176.3550 76 D 4.4207 8.8974 123.9981 57.7838 40.7871 178.7602 77 A 4.1636 8.5811 120.3105 54.3469 18.5529 178.2151 78 D 4.7725 8.2389 116.0599 54.1872 41.2279 177.9266 79 F 4.1126 8.1539 123.1320 61.7846 39.3790 176.8908 80 D 4.4017 8.3339 117.7672 57.1807 40.6867 178.2468 81 R 3.7640 8.0823 118.8301 60.0322 29.9494 178.0142 82 Y 3.6512 8.1951 116.0841 60.6525 37.7027 178.1971 83 A 3.8125 7.8481 121.9211 54.9160 18.3374 179.3479 84 E 3.8028 8.1356 117.1011 59.6872 29.4455 179.7863 85 R 3.7102 7.7876 117.8034 59.2302 29.6028 179.1978 86 V 3.2735 7.5823 117.9496 65.7153 31.4246 177.9554 87 G 3.7945 8.2134 108.0320 48.7258 0.0000 176.4562 88 K 4.0760 7.9992 125.0416 58.7375 31.7618 180.3089 89 L 4.4414 7.4745 116.3653 55.2111 41.7421 177.4480 90 G 3.8510 7.7839 106.7753 46.1653 0.0000 173.4231 91 L 4.5209 7.2939 118.2011 53.5701 42.7727 177.0019 92 D 4.8401 8.8908 122.6782 54.9596 42.0572 175.1379 93 M 5.4634 8.4868 117.8500 53.7320 34.6833 174.8362 94 R 4.4460 8.8370 119.1109 55.3118 31.2077 175.1537 95 P 4.5040 0.0000 0.0000 61.5215 32.1069 174.7625 96 P 4.5865 0.0000 0.0000 62.5934 31.8994 176.6285 97 R 4.1797 8.6940 124.4207 56.2292 30.8428 175.5376 98 P 4.5124 0.0000 0.0000 62.1937 30.6830 176.6984 *104 G 4.0118 7.8367 106.1316 46.6945 0.0000 173.0834 105 R 5.0445 8.6948 117.5581 54.4710 33.5236 173.9767 106 S 5.3326 8.7740 113.9514 57.0719 67.3629 173.4414 107 I 4.5791 8.6963 123.3554 59.8337 39.6006 174.1861 108 Y 5.2336 8.7745 124.2478 56.1742 40.9243 174.7231 109 F 5.4398 8.6581 117.5832 55.7943 42.2004 172.5957 110 Y 5.1847 8.7798 116.7300 56.3034 40.4701 177.1093 111 D 4.9553 8.7110 124.3666 53.7839 40.9528 176.4318 112 D 4.8356 8.8036 119.6545 55.2947 41.5672 175.9843 113 D 4.8316 8.6080 120.2290 54.1541 42.0690 176.4423 114 N 4.3070 8.6390 112.9443 54.1799 36.5245 174.0410 115 H 4.3910 7.9959 116.5480 55.7264 29.3446 173.6679 116 M 4.4965 8.2060 123.7413 54.2963 33.9766 174.6557 117 F 4.8486 8.4113 123.6522 55.5468 43.5468 173.5531 118 E 4.9511 9.0869 120.3570 54.5044 33.4093 173.9739 119 L 5.1929 8.9686 126.4503 53.3109 44.3539 174.7991 120 H 5.4914 9.1445 124.2538 54.6680 32.4476 173.9294 121 T 5.0757 8.3385 114.9974 61.6753 69.6851 174.6132 122 G 3.9962 7.1002 111.2359 44.2228 0.0000 172.4482 123 T 4.7361 8.0976 108.4796 58.8345 72.8680 174.6917 124 L 3.9351 8.3281 122.0318 58.7216 42.1624 178.9119 125 T 3.8724 7.9232 115.0851 66.6853 68.5205 176.2791 126 E 3.9437 8.1457 120.2780 59.4099 29.3292 179.1594 127 R 3.9273 7.9805 117.5499 59.7469 30.1938 178.2928 128 L 4.1461 8.1484 117.2712 57.3564 41.6724 178.9014 129 A 4.2293 7.8742 122.1590 55.0310 18.4435 178.6977 130 R 4.2604 7.7408 122.8608 58.7665 29.7586 180.1960 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 M 8.30 4.38 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 I 8.21 3.83 1.85 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 1.40 0.25 0.89 0.00 0.00 3 E 9.08 4.11 0.00 1.96 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 2.31 2.30 0.00 4 G 7.43 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 5 L 7.86 4.09 0.00 1.57 1.57 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.36 4.46 0.00 3.87 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 7 H 7.15 5.02 0.00 2.23 1.87 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.58 4.53 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 9 T 7.86 4.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 F 8.94 5.01 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.61 5.04 1.99 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 1.43 0.86 1.03 0.00 0.00 12 V 8.79 4.76 2.31 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 0.94 0.00 0.00 1.06 0.00 0.00 13 R 9.66 4.36 0.00 1.89 2.02 0.00 3.09 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 14 D 7.80 4.72 0.00 2.68 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 15 L 8.47 4.12 0.00 1.78 1.79 0.98 1.07 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 16 E 8.24 4.00 0.00 2.24 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 0.00 2.42 2.45 0.00 17 R 8.28 3.90 0.00 2.11 2.09 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 18 M 8.26 4.02 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 19 T 8.10 3.80 4.59 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 1.50 0.00 0.00 20 R 7.86 3.91 0.00 1.97 1.95 0.00 3.31 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 21 I 7.89 3.56 1.98 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 1.50 0.79 0.88 0.00 0.00 22 L 7.99 4.10 0.00 1.10 1.36 0.42 1.05 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 23 E 8.49 4.18 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 2.65 2.50 0.00 24 G 8.24 3.43 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 0.00 25 V 7.62 3.52 1.04 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 -0.17 0.00 0.00 0.33 0.00 0.00 26 F 7.62 4.73 0.00 2.89 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 27 D 8.03 4.46 0.00 2.74 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 28 A 7.88 4.42 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 29 R 9.17 4.65 0.00 1.93 1.88 0.00 3.12 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 30 E 9.08 3.96 0.00 1.93 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 1.94 1.47 0.00 31 V 8.48 4.37 2.09 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 0.77 0.00 0.00 1.05 0.00 0.00 32 Y 7.38 4.77 0.00 3.01 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.31 4.26 0.99 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 34 S 8.39 3.91 0.00 4.00 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 35 D 7.74 4.31 0.00 2.56 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 36 T 7.46 3.98 4.09 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 1.14 0.00 0.00 37 E 7.76 4.55 0.00 2.08 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 2.30 2.25 0.00 38 Q 8.54 4.02 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.33 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 39 F 7.47 3.93 0.00 3.06 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 40 S 7.44 4.77 0.00 3.97 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 41 L 8.72 4.20 0.00 1.72 1.74 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.88 4.38 0.00 4.02 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 43 R 8.51 4.79 0.00 1.77 1.85 0.00 3.06 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 44 E 9.35 5.35 0.00 2.21 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 0.00 2.25 2.26 0.00 45 K 9.33 4.96 0.00 1.87 1.43 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.20 1.40 7.81 46 F 8.90 6.05 0.00 3.09 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 47 F 10.15 5.53 0.00 3.06 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 48 L 9.21 5.28 0.00 1.63 1.76 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.86 4.44 1.85 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 0.79 0.00 0.00 50 G 8.92 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 51 D 9.18 4.82 0.00 2.79 2.78 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 0.00 0.00 0.00 52 I 7.91 4.21 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 1.09 0.00 0.00 53 W 8.89 5.15 0.00 3.35 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 54 V 9.36 5.04 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.10 0.00 0.00 55 A 9.14 5.80 1.23 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 0.00 0.00 56 I 9.33 5.29 2.10 0.00 0.00 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 1.81 1.33 1.21 0.00 0.00 57 M 8.90 5.35 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 58 Q 9.02 4.57 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 59 G 8.63 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 0.00 0.00 0.00 60 E 9.19 4.57 0.00 2.00 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 2.32 2.26 0.00 61 K 8.27 4.36 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 62 L 7.91 4.14 0.00 1.75 1.63 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.88 4.17 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 64 E 7.64 4.79 0.00 1.91 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 2.19 2.23 0.00 65 R 8.30 4.23 0.00 1.72 1.87 0.00 2.86 0.00 0.00 2.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 66 S 8.22 4.68 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.44 4.50 0.00 2.90 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.67 4.43 0.00 2.71 2.70 0.00 0.00 6.70 8.04 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 69 H 8.02 4.84 0.00 2.97 2.90 0.00 5.47 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.90 4.48 1.90 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 1.12 1.11 0.68 0.00 0.00 71 A 8.37 5.27 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 72 F 9.32 4.73 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.68 4.98 0.00 1.78 1.75 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 74 I 8.43 4.76 1.71 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 1.00 0.66 0.26 0.00 0.00 75 D 8.50 4.96 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.90 4.42 0.00 2.75 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 77 A 8.58 4.16 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.24 4.77 0.00 3.08 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 79 F 8.15 4.11 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 80 D 8.33 4.40 0.00 2.80 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 81 R 8.08 3.76 0.00 1.84 1.77 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 82 Y 8.20 3.65 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.85 3.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.14 3.80 0.00 2.05 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 2.27 2.39 0.00 85 R 7.79 3.71 0.00 1.75 1.72 0.00 2.26 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 86 V 7.58 3.27 1.96 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 0.75 0.00 0.00 0.21 0.00 0.00 87 G 8.21 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.00 4.08 0.00 1.85 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 89 L 7.47 4.44 0.00 1.55 1.66 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.78 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.29 4.52 0.00 1.57 1.95 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.89 4.84 0.00 2.83 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 93 M 8.49 5.46 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 94 R 8.84 4.45 0.00 1.89 1.97 0.00 3.43 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 95 P 0.00 4.50 0.00 2.10 2.04 0.00 3.75 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 2.07 2.13 0.00 96 P 0.00 4.59 0.00 2.36 2.31 0.00 3.85 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 2.09 2.11 0.00 97 R 8.69 4.18 0.00 1.91 1.96 0.00 3.36 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 98 P 0.00 4.51 0.00 2.09 1.91 0.00 3.77 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 1.94 1.58 0.00 *104 G 7.84 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 0.00 0.00 0.00 105 R 8.69 5.04 0.00 1.70 1.85 0.00 2.21 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 106 S 8.77 5.33 0.00 3.69 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 0.00 107 I 8.70 4.58 1.76 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.16 0.89 0.00 0.00 108 Y 8.77 5.23 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.66 5.44 0.00 3.26 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 0.00 110 Y 8.78 5.18 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.71 4.96 0.00 2.97 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 0.00 112 D 8.80 4.84 0.00 2.75 2.79 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 0.00 0.00 0.00 113 D 8.61 4.83 0.00 2.68 2.59 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 0.00 114 N 8.64 4.31 0.00 2.84 2.91 0.00 0.00 7.18 8.16 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 0.00 115 H 8.00 4.39 0.00 3.36 2.68 0.00 5.80 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 0.00 116 M 8.21 4.50 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.22 0.00 117 F 8.41 4.85 0.00 1.62 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 0.00 118 E 9.09 4.95 0.00 1.69 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 0.00 1.93 1.47 0.00 119 L 8.97 5.19 0.00 1.49 1.36 0.75 0.73 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 0.00 120 H 9.14 5.49 0.00 3.29 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.34 5.08 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 1.45 0.00 0.00 122 G 7.10 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 0.00 123 T 8.10 4.74 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 124 L 8.33 3.94 0.00 1.79 1.71 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.92 3.87 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 0.00 126 E 8.15 3.94 0.00 2.24 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 2.34 2.32 0.00 127 R 7.98 3.93 0.00 1.90 2.17 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 128 L 8.15 4.15 0.00 1.65 1.72 0.93 0.87 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 0.00 129 A 7.87 4.23 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 0.00 130 R 7.74 4.26 0.00 1.97 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.