NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 C 4.6747 8.4129 117.4236 54.5665 41.9473 174.0282 2 E 4.9251 8.0927 116.0792 53.8860 33.6756 170.5695 3 E 4.0791 9.6832 114.8924 57.4451 30.3461 175.8297 4 P 3.8419 0.0000 0.0000 61.1985 32.0211 174.5208 5 P 4.2453 0.0000 0.0000 63.2509 31.7746 176.1084 6 T 4.6553 7.8096 110.4104 60.2116 70.8207 173.4082 7 F 4.6983 8.1225 120.0841 55.7916 43.3676 174.8460 8 E 4.0310 9.0166 121.6628 59.2827 29.9348 177.3695 9 A 3.0123 7.9762 120.3078 53.6819 19.4384 177.1948 10 M 5.1165 7.6867 110.5770 53.4452 34.3338 174.6656 11 E 4.9732 8.9253 117.9123 54.1529 33.6381 174.4840 12 L 4.1648 8.5780 121.0818 54.9925 43.1660 176.0626 13 I 4.1475 7.9616 125.6381 62.0320 38.1461 176.3862 14 G 3.8478 9.0531 115.1049 44.7558 0.0000 173.0094 15 K 3.8695 8.2527 119.9923 54.0462 31.7254 173.6964 16 P 4.5378 0.0000 0.0000 61.8048 31.1540 177.2295 17 K 4.1526 8.5514 126.0360 53.5446 32.1513 172.5664 18 P 4.5010 0.0000 0.0000 64.8218 31.6581 176.3402 19 Y 5.0031 7.3959 118.4643 55.7640 41.2957 173.7892 20 Y 4.5356 8.2149 124.0394 56.3307 40.2162 175.1818 21 E 4.1989 8.3980 123.4202 54.8198 32.1438 175.2205 22 I 3.9185 7.9575 123.2544 62.2769 37.7081 175.0304 23 G 4.1270 8.7693 115.7238 46.3473 0.0000 174.8776 24 E 4.2556 7.6180 116.6882 56.6346 30.9907 178.7060 25 R 4.9483 8.5250 120.8441 54.8047 32.7339 175.2007 26 V 4.2664 8.6590 125.1791 61.0867 34.4594 173.9058 27 D 5.2577 8.3163 126.3027 52.7793 43.9047 174.6747 28 Y 5.2051 8.9924 118.9118 56.0398 41.3047 175.1854 29 K 4.7070 8.6303 119.6095 54.9773 36.3531 175.0932 30 C 4.7416 8.7560 118.9748 57.0524 41.6693 173.8289 31 K 4.4067 9.3267 122.5125 55.4350 33.4755 176.5303 32 K 3.9295 8.6284 122.8187 58.5243 32.5305 176.3245 33 G 3.7854 9.1268 114.1757 45.0449 0.0000 172.2869 34 Y 5.4888 8.0641 116.3897 56.2048 40.8032 175.2624 35 F 5.2288 9.2951 115.5965 55.4008 41.8189 173.0327 36 Y 4.9508 8.8034 121.3523 56.9673 40.0068 174.5951 37 I 4.2735 7.5414 125.8381 58.5181 40.3622 173.9013 38 P 4.2162 0.0000 0.0000 62.3702 31.7610 173.9599 39 P 4.9291 0.0000 0.0000 62.3907 31.5089 175.3066 40 L 4.0391 7.8533 117.6375 55.4957 42.0554 177.0293 41 A 4.3339 8.2672 123.9005 52.5194 19.2216 177.4580 42 T 4.5477 8.3889 108.7694 61.2106 69.4718 172.8219 43 H 5.1694 7.4299 116.8474 56.1723 31.9570 171.4866 44 T 4.3472 7.9626 109.7463 62.1327 71.4405 172.2751 45 I 5.3931 7.9752 124.5492 58.3541 42.1990 175.3407 46 C 4.4218 8.6690 124.9136 55.5761 42.5978 173.1206 47 D 4.7320 8.4676 129.2783 53.0411 39.9785 178.0018 48 R 4.0290 8.4908 117.2009 59.0989 30.0174 175.7083 49 N 4.9814 7.3665 120.6806 54.5209 38.4069 175.2056 50 H 4.7413 9.0712 108.8660 55.9404 30.1053 172.6996 51 T 4.5510 7.6998 114.5419 61.2836 72.0375 173.4888 52 W 4.9952 8.3024 121.9617 55.7419 30.4729 176.5635 53 L 4.3696 8.5882 122.7552 54.0553 42.0166 175.3023 54 P 4.6332 0.0000 0.0000 63.0251 32.0790 176.8022 55 V 4.1361 7.6091 117.5932 61.3774 33.1177 171.4986 56 S 4.8821 8.3876 117.0648 56.6605 66.2212 172.5802 57 D 4.4544 8.1514 117.9154 53.4819 39.6523 178.4907 58 D 4.1124 7.8800 121.7399 57.8468 41.2465 177.6678 59 A 3.9612 7.7809 120.3818 53.8948 19.5135 177.5598 60 C 5.1759 7.3536 112.8917 55.4989 42.9855 173.3539 61 Y 4.9485 8.5387 121.0715 55.9634 41.1495 175.2148 62 R 4.4766 8.8184 120.0113 55.8568 31.0453 176.7468 63 E 4.3298 8.8947 122.6569 57.3071 30.7168 176.1796 64 T 5.1451 8.2184 111.6275 60.3084 71.6975 174.2460 65 C 4.7205 8.7487 120.8058 55.4279 41.3995 172.1317 66 P 4.5884 0.0000 0.0000 62.5000 31.6473 176.0895 67 Y 4.2436 8.5110 121.7322 57.8503 39.2706 175.6361 68 I 4.1387 7.4832 126.3055 59.0752 39.1249 176.0182 69 R 3.8374 7.8573 124.7167 55.4104 30.6368 176.5952 70 D 4.4449 8.5701 120.9946 54.0545 41.4532 175.1388 71 P 4.2784 0.0000 0.0000 62.1759 32.0267 175.5581 72 L 3.9676 8.2763 122.9517 56.7997 42.1302 176.4144 73 N 4.0016 8.9509 120.7067 53.8397 36.6084 173.2554 74 G 4.3445 7.6781 106.8603 46.0548 0.0000 172.5573 75 Q 4.6019 8.1928 117.6851 55.4839 33.4761 173.9707 76 A 4.5713 9.0266 129.3473 50.4443 20.2636 175.4390 77 V 4.2955 7.7911 115.2210 59.4705 34.5878 174.2107 78 P 4.4802 0.0000 0.0000 62.6330 31.9284 177.0603 79 A 4.2603 8.7161 126.7154 53.3666 18.7074 177.3870 80 N 4.8111 7.5028 109.9365 51.2386 41.3750 173.8701 81 G 3.8899 7.7139 107.1622 45.6325 0.0000 172.0575 82 T 4.6783 7.7252 111.4233 63.5608 76.0724 176.0597 83 Y 3.7047 8.0096 117.2884 57.9746 35.9484 168.7851 84 E 4.9759 7.7360 119.0816 54.5051 30.8349 175.8516 85 F 4.4890 8.3891 118.6579 57.7185 38.1483 174.1976 86 G 3.4327 8.3664 117.2008 45.4833 0.0000 173.6207 87 Y 4.8563 7.7223 117.3783 56.5427 40.8241 174.8790 88 Q 5.3978 8.6740 118.3764 54.7633 33.0337 173.2568 89 M 4.9074 9.0664 117.9263 54.0012 35.3070 173.6041 90 H 5.3265 8.9122 125.7858 54.4631 32.7434 172.9712 91 F 5.2921 8.6489 123.3590 55.5005 41.1032 174.7094 92 I 4.6666 8.6621 116.6431 59.2922 40.5629 173.6033 93 C 4.9170 8.7190 122.3893 55.3016 40.6788 173.9126 94 N 4.4560 8.3227 122.6190 53.5657 38.8450 174.4916 95 E 4.2006 8.6117 115.1978 57.5918 30.1489 173.0690 96 G 3.9553 9.1596 110.8697 45.2636 0.0000 172.4079 97 Y 5.2818 7.7326 114.7315 56.2481 42.2012 174.3720 98 Y 4.9984 8.9577 118.7643 55.2389 41.7802 174.2529 99 L 4.7554 8.6762 123.4222 54.5807 43.6539 175.7488 100 I 4.1853 8.4182 118.2556 60.5847 40.0038 173.0653 101 G 3.6339 8.8267 116.7937 46.0126 0.0000 167.7190 102 E 3.5329 8.1761 126.4709 56.3638 25.8874 174.5455 103 E 4.3318 8.2030 119.0844 56.9812 31.0975 176.2588 104 I 5.2187 7.3813 120.6532 59.8664 41.2883 174.5437 105 L 4.6963 8.8271 125.6710 53.1159 45.1672 175.3146 106 Y 5.0952 8.8495 121.1687 57.6508 40.1302 174.2607 107 C 4.4275 8.8723 124.2945 55.3683 44.4398 172.3204 108 E 4.8740 8.7483 124.0493 54.5991 31.9472 174.5992 109 L 4.5885 8.3481 123.9092 53.7016 43.0296 176.1100 110 K 4.3870 8.7849 127.1679 55.6650 34.3310 177.9729 111 G 3.9202 8.6937 117.9159 46.5569 0.0000 173.7440 112 S 4.5356 9.0374 119.5009 57.6918 64.4860 173.5364 113 V 4.1993 7.3138 120.4942 60.6566 33.4198 173.6470 114 A 5.0847 8.2666 128.0976 50.5393 20.4226 176.1438 115 I 4.5843 8.3769 115.2675 58.7393 42.1894 174.2701 116 W 5.2602 8.5360 122.0810 55.5644 30.6890 176.9646 117 S 4.7197 9.4506 119.5451 57.2452 62.7643 174.2662 118 G 4.1622 7.3419 108.8740 47.0078 0.0000 172.5846 119 K 4.3394 8.0808 121.5558 54.3086 33.0141 174.6638 120 P 3.6899 0.0000 0.0000 62.5117 31.6833 174.2746 121 P 4.3710 0.0000 0.0000 62.3109 32.7656 175.2024 122 I 4.3616 7.8270 120.9787 59.9433 40.0084 174.7925 123 C 5.0734 8.5383 122.7095 55.5447 41.8088 172.9559 124 E 4.6496 8.9959 128.3513 55.1772 31.2482 177.4068 125 K 3.4741 8.7746 124.0479 54.0098 32.3896 178.2883 126 V 3.7515 8.0645 122.7503 64.3969 32.3372 171.5999 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 C 8.41 4.67 0.00 2.24 2.47 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 0.00 2 E 8.09 4.93 0.00 1.99 1.72 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 2.11 1.96 0.00 3 E 9.68 4.08 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 4 P 0.00 3.84 0.00 1.66 0.75 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 5 P 0.00 4.25 0.00 1.92 1.73 0.00 3.36 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 6 T 7.81 4.66 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 1.22 0.00 0.00 7 F 8.12 4.70 0.00 2.91 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 8 E 9.02 4.03 0.00 1.90 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 2.19 2.31 0.00 9 A 7.98 3.01 0.73 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 10 M 7.69 5.12 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 11 E 8.93 4.97 0.00 2.06 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 0.00 2.20 2.24 0.00 12 L 8.58 4.16 0.00 1.62 1.58 0.45 0.92 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 13 I 7.96 4.15 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.86 0.00 0.00 14 G 9.05 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 15 K 8.25 3.87 0.00 1.79 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.04 7.81 16 P 0.00 4.54 0.00 2.09 2.13 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 17 K 8.55 4.15 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.28 7.81 18 P 0.00 4.50 0.00 2.07 2.17 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 19 Y 7.40 5.00 0.00 2.90 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 20 Y 8.21 4.54 0.00 2.75 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 21 E 8.40 4.20 0.00 2.14 1.82 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 2.39 2.40 0.00 22 I 7.96 3.92 1.83 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 1.12 0.55 0.95 0.00 0.00 23 G 8.77 4.13 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 0.00 24 E 7.62 4.26 0.00 1.57 1.85 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 2.24 2.14 0.00 25 R 8.53 4.95 0.00 1.80 1.81 0.00 3.03 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 26 V 8.66 4.27 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 0.10 0.00 0.00 0.26 0.00 0.00 27 D 8.32 5.26 0.00 2.55 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.99 5.21 0.00 2.67 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 29 K 8.63 4.71 0.00 1.77 1.81 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 30 C 8.76 4.74 0.00 2.99 3.20 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 31 K 9.33 4.41 0.00 1.86 1.85 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.46 7.81 32 K 8.63 3.93 0.00 1.74 1.78 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81 33 G 9.13 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 34 Y 8.06 5.49 0.00 2.97 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 35 F 9.30 5.23 0.00 3.25 3.26 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 36 Y 8.80 4.95 0.00 2.93 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 37 I 7.54 4.27 1.99 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 0.76 0.00 0.00 38 P 0.00 4.22 0.00 1.98 2.02 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 39 P 0.00 4.93 0.00 2.15 2.11 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 40 L 7.85 4.04 0.00 1.62 1.62 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.27 4.33 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.39 4.55 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 43 H 7.43 5.17 0.00 3.21 3.43 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.96 4.35 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 1.03 0.00 0.00 45 I 7.98 5.39 1.95 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 1.30 1.25 1.05 0.00 0.00 46 C 8.67 4.42 0.00 2.17 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 47 D 8.47 4.73 0.00 2.88 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 48 R 8.49 4.03 0.00 1.85 1.92 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 49 N 7.37 4.98 0.00 2.79 2.76 0.00 0.00 6.95 7.77 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 50 H 9.07 4.74 0.00 3.01 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.70 4.55 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 1.26 0.00 0.00 52 W 8.30 5.00 0.00 3.19 3.11 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 53 L 8.59 4.37 0.00 1.66 1.69 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.63 0.00 1.95 2.01 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 55 V 7.61 4.14 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 0.83 0.00 0.00 0.65 0.00 0.00 56 S 8.39 4.88 0.00 4.01 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 57 D 8.15 4.45 0.00 2.62 2.47 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 0.00 58 D 7.88 4.11 0.00 2.53 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 59 A 7.78 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.35 5.18 0.00 2.76 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 61 Y 8.54 4.95 0.00 2.61 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 62 R 8.82 4.48 0.00 1.85 1.99 0.00 3.29 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 63 E 8.89 4.33 0.00 1.78 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 2.46 2.25 0.00 64 T 8.22 5.15 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 65 C 8.75 4.72 0.00 2.32 2.11 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 66 P 0.00 4.59 0.00 2.30 2.11 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 67 Y 8.51 4.24 0.00 2.68 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.48 4.14 1.64 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.07 0.76 0.00 0.00 69 R 7.86 3.84 0.00 1.71 1.84 0.00 3.30 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 70 D 8.57 4.44 0.00 2.63 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 71 P 0.00 4.28 0.00 2.12 2.04 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 72 L 8.28 3.97 0.00 1.52 1.51 0.86 0.96 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 73 N 8.95 4.00 0.00 2.42 1.42 0.00 0.00 6.76 7.86 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 74 G 7.68 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 0.00 0.00 0.00 0.00 75 Q 8.19 4.60 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 76 A 9.03 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.79 4.30 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 0.70 0.00 0.00 0.87 0.00 0.00 78 P 0.00 4.48 0.00 2.08 1.79 0.00 3.57 0.00 0.00 3.87 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 79 A 8.72 4.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.50 4.81 0.00 2.67 2.54 0.00 0.00 6.95 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 81 G 7.71 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.73 4.68 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 83 Y 8.01 3.70 0.00 3.37 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.74 4.98 0.00 2.35 1.92 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 2.41 2.50 0.00 85 F 8.39 4.49 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 86 G 8.37 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 87 Y 7.72 4.86 0.00 2.96 2.86 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 88 Q 8.67 5.40 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 89 M 9.07 4.91 0.00 1.55 1.42 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 90 H 8.91 5.33 0.00 3.15 3.12 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.65 5.29 0.00 2.74 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 92 I 8.66 4.67 1.91 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 1.35 0.97 1.00 0.00 0.00 93 C 8.72 4.92 0.00 2.93 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 94 N 8.32 4.46 0.00 2.75 2.82 0.00 0.00 6.92 7.33 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 95 E 8.61 4.20 0.00 1.99 1.74 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 2.23 1.88 0.00 96 G 9.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.73 5.28 0.00 2.98 2.84 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 98 Y 8.96 5.00 0.00 2.98 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 99 L 8.68 4.76 0.00 1.66 1.60 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.42 4.19 1.82 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 1.02 0.80 0.74 0.00 0.00 101 G 8.83 3.63 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 0.00 0.00 0.00 102 E 8.18 3.53 0.00 2.06 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 2.19 2.20 0.00 103 E 8.20 4.33 0.00 2.17 2.16 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 2.35 2.34 0.00 104 I 7.38 5.22 1.86 0.00 0.00 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 1.48 0.74 0.76 0.00 0.00 105 L 8.83 4.70 0.00 1.51 1.62 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.85 5.10 0.00 3.04 2.84 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 0.00 107 C 8.87 4.43 0.00 1.77 3.01 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 0.00 108 E 8.75 4.87 0.00 2.04 1.85 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 2.29 2.36 0.00 109 L 8.35 4.59 0.00 1.31 1.44 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.78 4.39 0.00 1.76 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.48 7.81 111 G 8.69 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 0.00 112 S 9.04 4.54 0.00 3.80 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 0.00 113 V 7.31 4.20 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 0.91 0.00 0.00 0.88 0.00 0.00 114 A 8.27 5.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.38 4.58 1.89 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 1.19 0.72 0.88 0.00 0.00 116 W 8.54 5.26 0.00 3.39 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 0.00 117 S 9.45 4.72 0.00 3.97 4.30 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 0.00 118 G 7.34 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 0.00 0.00 0.00 0.00 119 K 8.08 4.34 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.40 7.81 120 P 0.00 3.69 0.00 1.88 1.79 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 121 P 0.00 4.37 0.00 1.54 1.92 0.00 2.20 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.72 0.00 122 I 7.83 4.36 1.72 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 1.09 1.10 0.80 0.00 0.00 123 C 8.54 5.07 0.00 2.92 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 0.00 124 E 9.00 4.65 0.00 1.50 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 125 K 8.77 3.47 0.00 1.82 1.69 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 0.99 7.81 126 V 8.06 3.75 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 0.78 0.00 0.00 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.