NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4329 8.1933 115.2897 58.6423 64.6056 175.6504 7 T 3.6897 7.9645 116.7746 66.3472 68.1499 175.0083 8 K 4.0054 8.1576 120.2109 59.1208 32.6360 178.8358 9 K 3.9181 7.9993 119.4759 59.8353 32.2482 178.6893 10 T 3.8571 8.0691 116.0543 66.6337 68.3719 176.1969 11 Q 3.8911 8.1401 121.2490 59.2412 29.1608 177.8616 12 L 3.9541 8.0138 121.2390 58.5909 42.0188 179.0658 13 Q 4.0735 8.0757 117.4757 59.0301 28.6228 178.8045 14 L 4.0782 7.9510 119.8901 57.7948 41.6328 179.4532 15 E 3.9724 8.3036 118.6598 59.6032 29.3869 179.1422 16 H 4.1167 8.3195 116.2702 58.6387 28.8250 177.3445 17 L 3.9186 8.0307 122.1719 58.1959 41.7614 178.5291 18 L 3.9568 8.4065 120.3010 58.2327 41.9905 178.5072 19 L 3.9104 8.3473 120.2510 58.3960 41.9214 178.2826 20 D 4.4023 8.5053 118.9799 57.8884 40.9832 179.3062 21 L 4.0765 8.0408 118.8223 57.9342 41.5660 179.7506 22 Q 4.0646 7.8977 117.9981 59.0846 28.6708 178.4890 23 M 4.1727 8.1454 119.9048 58.3133 31.8562 178.8973 24 I 3.7387 7.6451 119.9178 64.0958 37.2799 178.2695 25 L 3.9489 7.8764 121.0086 58.2244 41.5805 178.6556 26 N 4.4080 8.8039 116.9501 56.4090 38.2414 177.6710 27 G 3.5072 7.7728 106.0134 47.4486 0.0000 175.7301 28 I 3.4611 7.2896 121.7787 64.3470 36.9798 178.2230 29 N 4.3756 7.9119 115.7891 56.3147 38.3603 176.6551 30 N 4.4336 7.5112 116.3508 55.3502 39.2555 174.8411 31 Y 4.6449 6.6724 117.2999 58.1986 38.9249 176.9005 32 K 4.3038 8.5920 120.7841 55.9341 34.2466 177.7776 33 N 4.2534 8.8850 121.3056 56.4225 38.4188 175.5311 34 P 4.2520 0.0000 0.0000 65.7414 31.4118 178.7460 35 K 3.9218 7.9471 116.4578 59.4431 32.1846 179.0994 36 L 4.1200 8.0252 120.5234 58.1764 41.7007 179.1732 37 T 3.8806 8.1191 115.6095 66.6893 68.7130 176.5163 38 R 4.0145 7.7046 119.9612 59.5218 30.2054 178.8477 39 M 4.4274 8.1987 117.8382 58.4717 31.9814 177.5399 40 L 4.3666 7.7505 117.0401 56.2056 42.0728 177.9843 41 T 4.0210 7.7577 109.2955 63.8424 69.2365 175.6052 42 F 4.2800 7.4724 119.9441 57.3004 39.4740 174.4226 43 K 4.9683 8.4050 122.8945 54.7829 34.5909 175.3915 44 F 4.8634 9.1557 121.6248 55.8963 43.1142 173.5031 45 Y 4.8307 9.3064 118.4629 56.7719 39.4015 175.7043 46 M 4.9928 8.7649 123.6310 53.2266 34.7201 174.0293 47 P 5.0518 0.0000 0.0000 62.3294 32.7246 176.7541 48 K 4.1700 8.5470 120.2504 58.7861 32.2350 177.7204 49 K 4.5397 7.6071 116.4292 54.7955 35.2229 176.0870 50 A 4.5799 8.0440 126.4781 51.8836 19.5898 175.6424 51 T 4.6764 8.5725 115.2892 63.0215 71.6584 174.3154 52 E 4.7973 8.2091 120.0946 54.0266 32.3318 176.8186 53 L 4.2893 8.4509 121.2277 57.7864 41.4279 179.6848 54 K 4.1325 7.8161 116.8589 59.2162 32.9807 178.0585 55 H 4.5721 8.1572 117.3015 57.4065 28.2994 176.6124 56 L 3.8682 7.8723 120.6622 56.2546 41.5202 178.3961 57 Q 4.0918 8.0161 120.5808 58.8410 28.9391 178.1649 58 C 4.5312 8.3154 117.2345 59.7454 39.2398 175.5114 59 L 3.6441 7.2778 121.5626 57.7838 41.6233 178.1514 60 E 3.8628 7.5856 118.5733 59.6162 29.3433 178.7729 61 E 4.1761 8.0741 116.1037 58.3627 29.7515 178.0410 62 E 4.6059 7.9830 117.4021 56.0252 29.9893 177.7003 63 L 4.0045 7.7827 121.5512 57.7772 41.7525 179.0754 64 K 3.8422 8.0912 117.8644 59.2188 31.9699 177.0221 65 P 4.0832 0.0000 0.0000 65.6872 31.2779 178.2228 66 L 4.1828 7.9565 118.8401 58.1966 41.9012 178.5920 67 E 3.8716 8.7319 119.3750 59.3018 29.7111 178.0785 68 E 3.9512 8.5802 119.7886 59.3092 29.4399 178.8346 69 V 3.1956 7.6698 118.1395 64.9341 31.4700 177.6118 70 L 4.1480 7.8169 120.1350 57.4263 41.3071 179.0263 71 N 4.2588 8.1788 115.0702 56.6793 38.7309 177.1541 72 L 4.0990 7.6403 116.8744 56.4119 41.6656 178.0901 73 A 4.3373 8.2166 120.0162 53.3642 19.4390 177.5437 *83 R 4.3167 7.7570 114.7591 55.7703 32.3657 176.9380 84 D 4.8561 7.8337 116.4951 55.4987 41.8771 178.3350 85 L 3.9296 7.7117 120.3382 58.4110 42.3167 179.0242 86 I 3.7206 7.7354 119.2058 64.2658 36.8907 178.1251 87 S 4.1147 7.4849 112.6287 61.3727 62.1118 176.1183 88 N 4.3003 7.9705 119.0043 56.5271 38.3517 177.2989 89 I 3.6724 7.4533 121.2500 64.4474 37.0796 177.9853 90 N 4.2428 8.2189 117.7104 56.6401 38.8606 177.0738 91 V 3.5570 7.5212 119.4592 66.0175 31.5964 177.8294 92 I 3.6632 7.8363 119.4853 64.4345 37.0309 178.3232 93 V 3.5304 7.8336 118.7542 66.2312 31.3099 177.7784 94 L 3.9811 8.0033 118.5368 58.1784 41.2777 179.4730 95 E 4.1951 8.0888 116.8821 58.7726 29.5837 178.9639 96 L 4.1662 8.2039 119.3031 57.5277 41.8772 179.0650 97 K 4.2305 8.0850 117.2197 56.2346 33.1700 175.0319 98 G 3.8861 7.4139 112.2647 45.5082 0.0000 172.9749 99 S 4.3837 8.4069 120.5543 56.8564 63.0853 173.4593 *103 F 4.4382 8.3189 127.1067 57.9877 39.9946 173.7656 104 M 3.9015 7.7073 127.5130 54.1925 32.2799 175.6485 105 C 4.2183 8.2388 127.4391 56.2906 42.8492 172.1499 106 E 4.5784 8.5318 125.6087 54.9649 31.4179 175.1350 107 Y 5.2640 8.3996 121.2487 56.5574 40.3208 175.1001 108 A 4.4821 9.0359 125.2149 51.6340 19.7591 177.8905 109 D 4.5505 8.6168 118.6754 57.2237 41.1718 177.6545 110 E 4.2402 8.0017 118.3379 55.8889 30.1902 176.4649 111 T 4.4024 8.1899 113.7931 61.1137 70.6232 173.1452 112 A 5.0864 8.5598 123.4634 50.2110 23.3076 175.4747 113 T 4.6257 9.4623 109.7917 61.0724 70.5491 176.0392 114 I 3.0723 8.6897 121.8107 64.1521 37.8529 177.9195 115 V 3.5703 7.8171 118.3229 66.1295 31.3151 177.5421 116 E 3.9511 7.9553 117.9734 59.5026 29.2334 178.7178 117 F 4.1043 9.0573 121.6301 61.8673 39.3346 177.2735 118 L 4.0122 8.7670 118.4291 57.6985 41.3970 179.4219 119 N 4.2869 8.2914 116.5427 56.2216 38.5198 177.0288 120 R 3.7121 8.0242 120.3481 59.5931 30.0740 178.5552 121 W 4.3179 7.6020 118.1502 59.3979 28.8609 178.7917 122 I 3.8783 7.8332 120.3073 64.5794 36.4460 178.5619 123 T 3.8912 8.1533 116.7724 66.3462 68.2871 176.2276 124 F 4.0377 8.1337 122.6699 61.9414 39.3409 176.9599 125 C 4.0990 8.5418 115.8736 63.0445 27.9790 176.3800 126 Q 3.9498 7.8311 119.5579 58.8700 28.0784 178.5925 127 S 4.0013 8.0896 113.4895 61.3866 62.5678 176.0788 128 I 3.6864 7.4259 122.3144 64.4905 36.6335 178.4402 129 I 3.6706 7.5399 119.2639 64.3004 36.8946 178.0931 130 S 4.2149 7.7107 113.4558 61.4630 62.3571 174.0218 131 T 4.0302 7.4167 114.7217 61.8656 68.5583 173.8751 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 6 S 8.19 4.43 0.00 3.87 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 7 T 7.96 3.69 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 8 K 8.16 4.01 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 9 K 8.00 3.92 0.00 1.82 2.01 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 T 8.07 3.86 4.43 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 1.22 0.00 0.00 11 Q 8.14 3.89 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 12 L 8.01 3.95 0.00 1.82 1.85 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.08 4.07 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 14 L 7.95 4.08 0.00 1.93 1.74 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.30 3.97 0.00 2.16 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 2.31 2.47 0.00 16 H 8.32 4.12 0.00 3.42 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.03 3.92 0.00 1.89 1.91 0.91 0.51 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 18 L 8.41 3.96 0.00 1.86 1.83 0.96 0.70 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 19 L 8.35 3.91 0.00 1.90 1.78 0.91 1.30 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 20 D 8.51 4.40 0.00 2.97 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 21 L 8.04 4.08 0.00 1.75 1.77 1.04 0.65 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 22 Q 7.90 4.06 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 23 M 8.15 4.17 0.00 2.07 2.23 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 2.81 2.57 0.00 24 I 7.65 3.74 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.93 0.00 0.00 25 L 7.88 3.95 0.00 1.81 1.89 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.80 4.41 0.00 2.88 2.82 0.00 0.00 6.95 7.83 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 27 G 7.77 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 28 I 7.29 3.46 2.02 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 1.60 0.81 1.03 0.00 0.00 29 N 7.91 4.38 0.00 2.82 2.88 0.00 0.00 7.06 7.31 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 30 N 7.51 4.43 0.00 2.81 2.79 0.00 0.00 7.20 7.42 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 31 Y 6.67 4.64 0.00 3.21 2.82 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 32 K 8.59 4.30 0.00 1.83 1.75 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.59 7.81 33 N 8.89 4.25 0.00 2.74 2.92 0.00 0.00 7.08 8.03 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 34 P 0.00 4.25 0.00 2.14 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 35 K 7.95 3.92 0.00 1.89 1.54 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 36 L 8.03 4.12 0.00 1.89 1.89 1.06 0.99 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 37 T 8.12 3.88 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 1.21 0.00 0.00 38 R 7.70 4.01 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 39 M 8.20 4.43 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.75 0.00 40 L 7.75 4.37 0.00 1.96 1.74 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.76 4.02 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 1.16 0.00 0.00 42 F 7.47 4.28 0.00 3.29 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 K 8.40 4.97 0.00 1.49 1.47 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.43 7.81 44 F 9.16 4.86 0.00 2.88 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 45 Y 9.31 4.83 0.00 2.27 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 46 M 8.76 4.99 0.00 1.97 2.06 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 2.69 2.61 0.00 47 P 0.00 5.05 0.00 2.34 2.19 0.00 3.66 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 1.67 1.49 0.00 48 K 8.55 4.17 0.00 1.81 1.93 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.47 7.81 49 K 7.61 4.54 0.00 1.64 1.57 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.20 1.39 7.81 50 A 8.04 4.58 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 0.00 0.00 0.00 0.00 0.00 51 T 8.57 4.68 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 1.21 0.00 0.00 52 E 8.21 4.80 0.00 1.67 1.71 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 2.30 2.06 0.00 53 L 8.45 4.29 0.00 1.70 1.77 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.82 4.13 0.00 1.68 1.79 0.00 1.08 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.05 0.74 7.81 55 H 8.16 4.57 0.00 3.53 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.87 3.87 0.00 1.90 1.64 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.02 4.09 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 58 C 8.32 4.53 0.00 3.54 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 59 L 7.28 3.64 0.00 0.27 1.03 0.34 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.59 3.86 0.00 2.05 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 2.32 2.37 0.00 61 E 8.07 4.18 0.00 2.23 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 0.00 2.40 2.51 0.00 62 E 7.98 4.61 0.00 2.31 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 2.43 2.83 0.00 63 L 7.78 4.00 0.00 1.79 1.72 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.09 3.84 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.48 7.81 65 P 0.00 4.08 0.00 2.09 1.85 0.00 3.63 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 2.29 2.06 0.00 66 L 7.96 4.18 0.00 1.96 2.02 0.91 1.09 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 67 E 8.73 3.87 0.00 2.15 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 0.00 2.46 2.32 0.00 68 E 8.58 3.95 0.00 1.99 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 2.21 2.23 0.00 69 V 7.67 3.20 1.71 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 1.05 0.00 0.00 0.66 0.00 0.00 70 L 7.82 4.15 0.00 2.03 1.81 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.18 4.26 0.00 2.86 2.89 0.00 0.00 7.14 7.46 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 72 L 7.64 4.10 0.00 1.68 1.70 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.22 4.34 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 *83 R 7.76 4.32 0.00 1.92 2.03 0.00 3.10 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 D 7.83 4.86 0.00 2.67 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 85 L 7.71 3.93 0.00 1.76 1.67 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.74 3.72 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.97 0.00 0.00 87 S 7.48 4.11 0.00 4.11 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 0.00 88 N 7.97 4.30 0.00 2.86 3.00 0.00 0.00 7.00 8.17 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 89 I 7.45 3.67 1.99 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 1.41 0.83 0.87 0.00 0.00 90 N 8.22 4.24 0.00 2.97 2.87 0.00 0.00 6.81 7.14 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 91 V 7.52 3.56 2.21 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 0.97 0.00 0.00 0.92 0.00 0.00 92 I 7.84 3.66 2.00 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 1.64 0.71 0.99 0.00 0.00 93 V 7.83 3.53 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 1.02 0.00 0.00 0.88 0.00 0.00 94 L 8.00 3.98 0.00 1.95 1.72 0.92 0.83 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 95 E 8.09 4.20 0.00 2.02 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 2.33 2.42 0.00 96 L 8.20 4.17 0.00 1.85 1.76 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.09 4.23 0.00 1.94 1.95 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.46 7.81 98 G 7.41 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 99 S 8.41 4.38 0.00 3.87 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 *103 F 8.32 4.44 0.00 2.96 3.05 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 0.00 0.00 0.00 104 M 7.71 3.90 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 105 C 8.24 4.22 0.00 3.00 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 0.00 106 E 8.53 4.58 0.00 1.89 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 2.21 2.14 0.00 107 Y 8.40 5.26 0.00 3.02 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 0.00 108 A 9.04 4.48 1.31 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 0.00 0.00 0.00 109 D 8.62 4.55 0.00 2.72 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 0.00 110 E 8.00 4.24 0.00 1.97 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 2.31 2.24 0.00 111 T 8.19 4.40 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 0.63 0.00 0.00 112 A 8.56 5.09 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 0.00 113 T 9.46 4.63 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 1.32 0.00 0.00 114 I 8.69 3.07 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.20 0.98 0.00 0.00 115 V 7.82 3.57 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 1.09 0.00 0.00 0.97 0.00 0.00 116 E 7.96 3.95 0.00 2.31 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 2.35 2.35 0.00 117 F 9.06 4.10 0.00 2.95 2.90 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 0.00 118 L 8.77 4.01 0.00 1.72 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.29 4.29 0.00 3.02 2.84 0.00 0.00 6.56 7.15 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 0.00 120 R 8.02 3.71 0.00 1.79 1.65 0.00 2.93 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.02 0.00 121 W 7.60 4.32 0.00 3.19 3.10 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 0.00 122 I 7.83 3.88 2.09 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 1.57 1.44 0.94 0.00 0.00 123 T 8.15 3.89 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 1.19 0.00 0.00 124 F 8.13 4.04 0.00 3.00 3.36 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 0.00 125 C 8.54 4.10 0.00 3.26 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 0.00 126 Q 7.83 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 127 S 8.09 4.00 0.00 3.74 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 I 7.43 3.69 1.60 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.56 0.79 0.00 0.00 129 I 7.54 3.67 1.83 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 1.39 0.61 0.89 0.00 0.00 130 S 7.71 4.21 0.00 3.94 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 0.00 131 T 7.42 4.03 4.20 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.