NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 K 4.2734 8.3101 120.0044 56.6983 34.7523 176.2711 24 A 3.8491 7.9961 120.1822 51.4963 19.3443 175.7677 25 I 4.5066 7.9480 122.0195 58.8487 39.9747 171.8335 26 P 4.7049 0.0000 0.0000 62.5421 33.0461 175.1788 27 W 5.2753 7.8134 117.2450 55.9277 32.0595 172.9502 28 K 4.8220 8.5665 120.8122 55.0677 35.6422 174.5796 29 I 4.8186 9.1244 127.0779 59.2908 40.6682 174.1456 30 N 4.6881 9.0045 126.8280 52.9448 38.5742 174.3292 31 W 4.3656 8.8099 135.0000 60.9964 30.8056 177.1740 32 Q 3.9338 8.5425 119.4196 58.9080 28.7495 176.2718 33 T 3.7124 7.8611 106.8068 62.8160 69.0056 174.4867 *35 A 4.2029 7.9601 119.6382 50.7371 21.3540 176.6701 36 F 4.4934 8.7633 119.5352 57.6224 38.9059 175.6278 37 E 4.3660 9.3987 126.6329 59.2442 30.2931 176.0058 38 Y 4.9421 7.5333 114.2818 56.6342 41.1108 173.2650 39 I 4.9991 8.5223 119.9823 59.5620 41.1761 174.4473 40 G 4.5179 9.7436 117.3420 45.4435 0.0000 172.7637 41 P 4.5998 0.0000 0.0000 65.3151 31.4009 178.6217 42 Q 4.1307 8.0922 117.4902 58.3156 28.4964 177.9711 43 I 3.6691 7.7125 120.1323 63.5336 37.7975 177.4743 44 E 4.2983 8.5814 121.7274 58.5895 29.3367 178.4886 45 A 4.0689 7.9216 119.2495 54.8623 18.5531 179.0535 46 L 4.1388 7.9590 117.9961 57.9308 42.6242 178.3527 47 L 4.5848 8.3618 116.6998 53.8971 42.0858 178.0152 48 G 3.9542 8.5266 111.2383 45.5049 0.0000 175.0549 49 W 4.3183 7.5969 118.5553 55.6777 29.8629 173.7415 50 P 4.6208 0.0000 0.0000 62.7964 31.6664 177.0902 51 Q 4.1498 9.8141 124.6269 59.4981 28.9695 179.0031 52 G 3.8961 8.1255 104.2576 47.3186 0.0000 174.1948 53 S 4.2478 8.2605 114.4276 59.7776 63.4311 175.2263 54 W 4.1658 7.7141 121.6388 55.8554 27.3753 175.6974 55 K 4.3495 8.5421 122.6633 58.1699 32.7340 176.8369 56 S 5.0141 8.9146 111.7980 55.9411 66.2871 174.9332 57 V 3.6650 8.2537 112.5961 64.5815 30.9185 178.2120 58 E 3.9894 8.0005 119.2464 59.3881 29.4184 178.7024 59 D 4.0307 8.1135 118.9470 56.8319 40.6001 178.4848 60 W 4.3896 8.2472 127.1943 60.6168 30.9311 177.4587 61 A 3.4045 8.3675 119.8865 55.1028 17.8057 179.5019 62 T 3.9778 7.5929 113.6238 65.7493 69.7710 176.4069 63 R 3.9724 7.3739 122.0973 54.2047 28.7765 174.1669 *65 H 4.4802 7.7413 121.4149 54.5253 31.4566 172.3085 66 P 4.8844 0.0000 0.0000 65.4079 31.0838 178.0637 67 E 4.2232 8.2975 116.3456 58.0574 29.9749 177.7167 68 D 4.6850 7.8200 118.4197 56.4082 41.5956 178.4398 69 Q 3.6255 8.0382 118.5383 58.5958 28.4102 178.3003 70 E 4.2920 7.5619 117.7474 58.0572 29.6641 177.3566 71 W 5.2732 7.5347 111.9156 56.5477 32.6240 177.4373 72 V 2.7690 6.9995 118.7580 65.3960 30.6775 178.0580 73 V 3.6863 7.3595 117.2702 66.2838 31.4275 177.5381 74 N 4.4002 8.1708 115.6081 56.1796 38.4115 176.9803 75 F 4.2970 8.6229 122.0369 61.7566 39.5534 176.9514 76 C 3.8360 8.6371 116.6429 62.6040 27.8429 176.3535 77 V 3.6582 8.0189 119.8129 65.9014 31.0477 177.8901 78 K 3.8806 8.0759 119.2520 59.7912 31.9577 178.7529 79 Q 3.8172 7.8087 118.1986 58.8098 28.4232 178.9035 80 S 3.9021 8.0557 116.3438 61.6984 62.7055 176.6115 81 E 3.9155 8.1554 119.8594 59.2606 29.2750 178.3470 82 C 4.4241 7.5578 114.0526 58.9824 28.4375 174.0049 83 G 3.6786 7.7439 108.8539 46.1883 0.0000 173.3275 84 V 4.2626 7.6417 119.9206 60.6318 32.4817 175.6034 85 D 4.8232 8.7532 128.0767 55.4070 41.7839 175.0097 86 H 5.2085 8.7924 116.3181 55.2236 32.5890 171.5939 87 E 5.5474 9.0276 114.6925 55.5120 32.3400 174.3652 88 A 5.1698 9.5470 122.0438 50.8876 23.3042 174.5721 89 D 5.6669 9.2500 120.7582 52.9683 43.1162 175.2987 90 Y 4.9977 8.6805 120.4395 56.2176 42.2396 173.7424 91 R 4.2439 8.7338 119.7978 54.9022 30.6206 176.5913 92 A 4.7599 9.2651 127.3180 51.1896 20.6967 175.6617 93 L 4.6147 8.5175 123.3402 54.1791 42.9504 176.2643 94 H 4.6562 9.0862 127.1796 55.2172 30.6783 176.1460 95 R 2.0000 7.3260 121.7602 58.4994 28.9557 177.4618 96 D 4.3461 7.9922 115.0498 53.6135 39.5693 176.3548 97 G 3.8494 7.9877 109.4394 45.7640 0.0000 174.0051 98 H 4.4405 8.3232 115.0939 55.0609 29.7945 173.3144 99 Y 5.2058 8.1191 117.1686 56.4351 40.0028 175.5286 100 V 4.5259 8.9099 122.7388 60.6581 34.8796 174.5930 101 W 4.6104 9.0064 128.0733 56.9671 30.0155 175.1983 102 I 5.2180 9.2692 125.4956 59.3917 41.0380 174.3166 103 R 5.0235 9.0231 125.7910 54.7461 32.0463 174.3068 104 D 5.3877 9.5082 127.0352 52.7464 43.6402 174.7933 105 V 4.9237 9.2214 126.1520 61.1831 34.3676 174.2153 106 V 4.7066 9.2033 127.9580 61.2914 34.6243 173.3244 107 H 5.4170 8.9992 127.8176 54.4323 32.2237 172.8351 108 V 4.2504 8.5211 126.1445 61.5184 32.6725 174.9382 109 V 4.2461 8.4389 128.2923 61.3133 33.4002 174.5907 110 R 5.0694 8.3812 126.1157 54.4218 32.9082 175.8327 111 D 4.7105 8.9364 122.3264 52.1377 41.2128 176.8348 112 D 4.3232 8.6289 118.2794 57.2342 40.6736 177.7944 113 S 4.3855 8.4602 111.7627 58.0805 63.3728 175.0273 114 G 3.8848 8.5174 109.8912 45.6698 0.0000 173.3032 115 E 4.4604 7.8470 118.8151 54.0599 31.2071 175.7085 116 V 3.6780 8.0989 121.5914 63.5899 32.1394 174.9447 117 E 4.6870 9.2158 127.5462 57.4832 32.3777 174.9017 118 A 5.1865 7.3863 118.4149 51.2494 23.2179 174.8368 119 L 5.1641 8.8630 118.8770 52.9575 45.1897 176.3534 120 I 4.1092 8.1275 116.4484 59.0752 41.0365 175.0908 121 G 3.8460 5.9756 109.3057 46.9850 0.0000 169.9583 122 F 5.7180 7.7126 119.8096 55.6204 43.5419 173.3947 *124 F 4.8086 8.6009 118.5596 58.3569 40.7793 174.2511 125 D 4.8779 9.0200 122.9331 54.0489 41.4231 176.0918 126 I 4.6326 8.7863 123.0887 60.3448 38.3823 178.1622 127 S 4.2608 8.8971 120.1566 63.1499 62.4950 176.1987 128 L 3.7984 7.8511 119.6561 57.5166 41.4568 178.5567 129 E 4.1858 7.8124 116.3273 57.4599 29.5520 176.7648 130 H 4.6632 7.8820 116.3502 55.6476 29.7687 173.5347 131 H 4.6741 8.2592 122.1891 56.0715 28.7841 175.0797 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 23 K 8.31 4.27 0.00 1.93 2.06 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.59 7.81 24 A 8.00 3.85 1.10 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 25 I 7.95 4.51 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.85 0.00 0.00 26 P 0.00 4.70 0.00 2.16 2.26 0.00 3.95 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 27 W 7.81 5.28 0.00 3.57 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 28 K 8.57 4.82 0.00 1.05 0.74 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.35 7.81 29 I 9.12 4.82 1.88 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 0.74 0.16 0.77 0.00 0.00 30 N 9.00 4.69 0.00 2.90 2.72 0.00 0.00 7.16 7.53 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 31 W 8.81 4.37 0.00 3.40 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 32 Q 8.54 3.93 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 33 T 7.86 3.71 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 1.18 0.00 0.00 *35 A 7.96 4.20 1.32 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 36 F 8.76 4.49 0.00 3.14 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 37 E 9.40 4.37 0.00 1.92 1.90 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 2.49 2.42 0.00 38 Y 7.53 4.94 0.00 3.09 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 39 I 8.52 5.00 1.55 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.64 0.70 0.00 0.00 40 G 9.74 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.30 2.47 0.00 3.73 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 2.09 2.07 0.00 42 Q 8.09 4.13 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 43 I 7.71 3.67 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 1.18 0.72 0.00 0.00 44 E 8.58 4.30 0.00 2.18 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 2.36 2.54 0.00 45 A 7.92 4.07 1.34 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 46 L 7.96 4.14 0.00 1.76 1.75 1.01 0.86 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 47 L 8.36 4.58 0.00 2.26 2.10 1.33 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.53 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 49 W 7.60 4.32 0.00 3.51 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 50 P 0.00 4.62 0.00 2.27 2.06 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 51 Q 9.81 4.15 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 52 G 8.13 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 53 S 8.26 4.25 0.00 3.84 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 54 W 7.71 4.17 0.00 3.00 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 55 K 8.54 4.35 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.36 7.81 56 S 8.91 5.01 0.00 3.86 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 57 V 8.25 3.66 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 0.40 0.00 0.00 0.84 0.00 0.00 58 E 8.00 3.99 0.00 1.94 1.90 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 2.22 2.29 0.00 59 D 8.11 4.03 0.00 2.82 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 0.00 0.00 0.00 60 W 8.25 4.39 0.00 3.62 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 61 A 8.37 3.40 1.21 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 0.00 0.00 0.00 62 T 7.59 3.98 3.94 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 1.00 0.00 0.00 63 R 7.37 3.97 0.00 1.59 1.76 0.00 2.21 0.00 0.00 2.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 *65 H 7.74 4.48 0.00 2.58 2.98 0.00 5.68 0.00 0.00 0.00 0.00 6.64 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 4.88 0.00 2.22 2.26 0.00 3.21 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 67 E 8.30 4.22 0.00 1.97 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 2.36 2.43 0.00 68 D 7.82 4.68 0.00 2.66 2.43 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 69 Q 8.04 3.63 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 70 E 7.56 4.29 0.00 2.40 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 2.38 2.45 0.00 71 W 7.53 5.27 0.00 3.63 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 72 V 7.00 2.77 1.30 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 0.65 0.00 0.00 -0.73 0.00 0.00 73 V 7.36 3.69 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 1.05 0.00 0.00 0.66 0.00 0.00 74 N 8.17 4.40 0.00 2.92 2.96 0.00 0.00 6.67 8.13 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 75 F 8.62 4.30 0.00 3.55 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.64 3.84 0.00 3.27 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 77 V 8.02 3.66 2.32 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 1.13 0.00 0.00 1.05 0.00 0.00 78 K 8.08 3.88 0.00 2.02 1.88 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 79 Q 7.81 3.82 0.00 1.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 80 S 8.06 3.90 0.00 4.11 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 81 E 8.16 3.92 0.00 1.97 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 0.00 2.80 2.91 0.00 82 C 7.56 4.42 0.00 2.95 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 83 G 7.74 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 0.00 0.00 0.00 84 V 7.64 4.26 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 0.85 0.00 0.00 0.97 0.00 0.00 85 D 8.75 4.82 0.00 2.63 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 86 H 8.79 5.21 0.00 3.47 3.40 0.00 5.27 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.03 5.55 0.00 2.28 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 2.38 2.53 0.00 88 A 9.55 5.17 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.25 5.67 0.00 2.85 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 90 Y 8.68 5.00 0.00 2.94 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 91 R 8.73 4.24 0.00 1.18 1.43 0.00 2.46 0.00 0.00 2.64 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 A 9.27 4.76 1.50 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 0.00 0.00 93 L 8.52 4.61 0.00 1.86 1.69 0.54 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 94 H 9.09 4.66 0.00 2.94 2.93 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.33 2.00 0.00 0.82 0.66 0.00 2.94 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.21 0.00 96 D 7.99 4.35 0.00 2.69 2.73 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 97 G 7.99 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 98 H 8.32 4.44 0.00 3.29 3.34 0.00 5.24 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 99 Y 8.12 5.21 0.00 2.87 2.73 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 0.00 100 V 8.91 4.53 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 1.11 0.00 0.00 0.99 0.00 0.00 101 W 9.01 4.61 0.00 3.39 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 0.00 102 I 9.27 5.22 1.56 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 1.32 1.06 0.86 0.00 0.00 103 R 9.02 5.02 0.00 1.93 2.06 0.00 3.25 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 104 D 9.51 5.39 0.00 3.37 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 0.00 105 V 9.22 4.92 2.49 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 1.08 0.00 0.00 1.31 0.00 0.00 106 V 9.20 4.71 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 0.97 0.00 0.00 1.24 0.00 0.00 107 H 9.00 5.42 0.00 3.14 3.16 0.00 5.62 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 0.00 108 V 8.52 4.25 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 0.45 0.00 0.00 0.81 0.00 0.00 109 V 8.44 4.25 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 0.86 0.00 0.00 0.84 0.00 0.00 110 R 8.38 5.07 0.00 1.64 1.73 0.00 3.18 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 111 D 8.94 4.71 0.00 2.84 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 0.00 112 D 8.63 4.32 0.00 2.68 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 0.00 113 S 8.46 4.39 0.00 3.96 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 0.00 114 G 8.52 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 0.00 115 E 7.85 4.46 0.00 2.23 1.87 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 2.33 2.28 0.00 116 V 8.10 3.68 1.24 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 -0.55 0.00 0.00 0.54 0.00 0.00 117 E 9.22 4.69 0.00 1.99 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 0.00 2.21 2.25 0.00 118 A 7.39 5.19 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 0.00 119 L 8.86 5.16 0.00 1.77 1.71 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.13 4.11 1.51 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 0.75 0.00 0.00 121 G 5.98 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 0.00 122 F 7.71 5.72 0.00 2.63 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 0.00 0.00 0.00 0.00 *124 F 8.60 4.81 0.00 3.09 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 0.00 125 D 9.02 4.88 0.00 2.72 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 0.00 126 I 8.79 4.63 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.05 0.00 0.00 127 S 8.90 4.26 0.00 3.97 4.07 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 0.00 128 L 7.85 3.80 0.00 1.59 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.81 4.19 0.00 2.02 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 2.25 2.28 0.00 130 H 7.88 4.66 0.00 3.02 3.06 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.26 4.67 0.00 3.14 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.