NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.8744 7.9248 120.8682 60.9499 39.2764 174.6840 11 L 4.3575 8.5399 128.6489 52.4252 42.8412 175.5551 12 S 4.4663 8.7098 118.3125 57.9369 65.5115 174.1177 13 H 4.0850 9.0504 118.2692 59.6119 29.0405 176.9524 14 Q 4.0180 8.1242 118.9172 59.5369 28.2202 178.5565 15 S 4.1087 7.5456 114.8436 61.2260 63.0290 176.3650 16 I 3.5454 7.6731 122.7635 63.8646 36.7104 178.1481 17 K 3.7382 8.0856 120.6561 59.5299 31.7264 178.1404 18 N 4.4270 7.5566 114.3137 54.9112 38.7796 176.5228 19 L 4.1169 7.8569 120.5625 54.9066 41.9477 176.7727 20 L 3.7251 6.6221 120.1315 55.7720 41.7129 177.7249 21 G 4.0343 8.6829 111.5799 45.5195 0.0000 172.8969 22 K 4.3288 7.4774 117.0346 57.4667 34.4427 176.9203 23 V 4.1387 8.1919 117.3440 63.0728 32.3225 175.3779 24 I 4.3718 7.4319 120.9219 59.4478 38.2417 174.5061 25 L 4.9345 8.6097 125.9811 53.7533 43.8359 176.0268 26 N 4.1297 8.4359 114.6402 54.5404 35.7116 173.8551 27 Y 4.6526 7.3459 115.2278 55.7547 40.5296 174.4269 28 S 4.6084 9.1355 113.4045 56.4235 65.2852 173.8592 29 E 4.1719 9.4697 128.0287 59.7076 29.3370 179.2944 30 E 4.1135 8.1714 114.1527 58.7766 29.8563 177.1503 31 N 4.2998 8.1834 116.3823 53.6068 38.7255 174.5209 32 V 4.3981 7.5842 119.5767 62.0229 31.9166 175.1895 33 R 4.7270 8.4982 131.6132 55.4083 31.7340 176.1188 34 E 4.2467 9.0126 118.5708 60.3129 29.7051 178.9242 35 N 5.0208 7.4769 114.8546 50.8922 37.2523 173.1526 36 G 4.2683 7.4139 104.6776 47.7071 0.0000 171.8073 37 Y 5.3283 8.5887 120.2902 55.8047 42.0725 174.4169 38 D 5.1172 8.1164 127.1695 52.9667 41.3053 176.1318 39 L 4.6227 8.9542 127.2804 55.1974 43.4451 175.9695 40 R 5.0448 9.3633 124.3202 54.3837 33.5983 174.7299 41 I 4.7822 8.0873 115.0036 60.0702 39.4757 174.4948 42 C 4.5449 9.5271 125.8181 58.1422 44.3674 174.7601 43 G 4.3084 9.1927 109.4685 46.5778 0.0000 172.8866 44 D 4.6940 8.6453 118.7043 56.4384 41.9888 176.3075 45 K 5.3756 8.0911 115.5459 54.8962 36.7021 174.9318 46 Y 4.7830 8.3036 118.6497 55.5358 41.9669 173.6570 47 Y 5.0422 8.6877 117.1028 56.1283 42.0475 174.1219 48 E 4.5295 8.7041 124.0215 54.1191 31.9490 174.8395 49 L 4.5031 8.2477 128.0004 55.0326 41.6377 177.2889 50 V 4.3547 8.9818 116.8717 61.3794 33.9108 175.8742 51 Q 4.4926 7.8102 121.1876 53.8399 32.5218 174.4576 52 G 4.1219 8.8425 112.4249 46.5876 0.0000 172.4033 53 A 4.6778 8.3552 122.0164 50.5943 21.1024 177.2956 54 E 4.6522 8.9873 118.3633 54.1933 29.8061 175.4669 55 L 4.3439 8.0391 121.5679 54.0951 42.7279 175.7758 56 P 4.6129 0.0000 0.0000 63.5583 32.2417 176.9089 57 E 4.0065 8.2589 118.6452 58.3583 29.8261 176.6116 58 K 4.5428 8.3720 120.9026 54.2896 34.5815 176.3336 59 K 4.6127 8.7310 126.5478 55.6354 33.1789 176.7852 60 A 4.2697 8.4198 123.2766 52.5718 19.5287 177.0778 61 T 4.3376 8.5270 116.7468 62.7466 69.9283 174.2856 62 L 5.1203 8.4907 125.7311 53.0072 44.7404 175.6518 63 R 4.5505 8.7092 122.5279 54.4832 32.2636 174.4010 64 E 4.2695 8.8366 128.0420 55.8289 30.7086 175.5717 65 I 4.3897 7.6205 126.8228 58.8357 41.0307 174.4741 66 E 4.0930 8.7811 127.8676 56.6482 30.1575 176.6168 67 F 4.7974 9.1966 131.1726 58.0163 38.0801 175.2578 68 K 4.1644 9.1115 124.1712 56.3783 32.5440 177.4462 69 E 4.6246 8.4365 119.8613 57.3596 33.5395 176.4385 70 R 5.2120 8.0105 115.2403 54.5507 34.7756 174.4811 71 A 4.1924 9.1367 124.8006 50.5209 20.7361 176.0511 72 I 4.5701 8.3653 124.5413 60.1157 38.3620 175.4120 73 L 4.3880 9.1086 127.5528 52.9214 44.3882 175.8248 74 S 5.3187 9.3935 118.7376 56.5859 64.5350 174.2030 75 A 4.1529 9.0544 125.0088 52.9838 19.5165 177.4028 76 N 4.2111 8.9774 116.2108 54.7015 36.9857 174.1255 77 H 4.9179 7.7329 110.1592 54.3600 33.3022 172.7684 78 T 5.1102 8.1876 117.5576 62.3777 70.9265 173.2170 79 Y 5.0281 9.3270 122.5901 56.1237 42.2152 174.3188 80 L 5.2197 8.8869 122.9376 53.1136 44.2970 175.5440 81 F 5.3144 9.2147 122.1545 55.6257 42.9925 173.8284 82 E 5.1691 9.0635 123.3346 55.2967 31.1620 175.6528 83 S 4.9072 8.8963 121.5157 58.6474 63.7523 173.7921 84 C 4.5654 9.1360 119.8542 60.2671 40.0007 174.7872 85 E 4.4032 8.3252 117.7587 56.2620 30.6152 175.6079 86 E 4.7648 8.7422 123.9450 54.4408 32.6839 174.6857 87 F 5.4476 9.0947 124.7615 56.0392 41.9672 174.0671 88 N 5.2961 8.9794 119.0150 51.5574 42.9133 171.3399 *90 P 4.3063 0.0000 0.0000 62.4390 33.1735 176.8154 91 A 4.3181 8.6585 120.9667 53.6790 18.5818 178.2303 92 D 5.1674 8.0844 114.4163 52.5164 39.8710 175.1196 93 L 5.4520 7.7990 117.6852 53.4702 46.0654 175.2980 94 A 4.7769 9.1099 122.5130 50.4422 23.5345 175.0356 95 V 4.4812 8.4505 118.2357 60.9282 35.1645 173.9594 96 L 4.6211 8.6975 130.2848 53.7405 43.9867 175.0595 97 I 4.4917 8.7594 128.6981 60.6036 38.4249 175.2207 98 T 4.7361 8.6620 117.2922 59.6628 72.1943 172.7122 99 L 4.7183 8.2184 123.6568 53.4048 43.7145 176.2293 100 K 4.2668 8.5722 125.4917 56.3803 32.7203 178.5783 101 S 4.2239 8.9056 119.0258 61.5618 62.8595 176.9642 102 T 3.8842 7.8351 119.4862 66.6175 68.2842 176.3360 103 L 4.1476 7.8732 120.2565 57.4601 41.4409 179.1277 104 A 4.2434 7.9676 121.0519 55.1820 18.2674 179.4502 105 R 4.1518 8.2595 111.0723 57.6765 29.8839 176.7370 106 N 4.8086 7.8323 115.3307 53.2087 38.9232 174.9660 107 G 3.8882 8.1913 105.7700 46.1147 0.0000 173.2463 108 F 5.2569 7.9561 116.6424 55.2035 42.0327 174.9951 109 L 5.0527 8.9933 121.5715 53.2727 45.0948 175.4379 110 A 5.0296 8.3290 122.0515 50.4480 22.0222 174.5035 111 P 4.6038 0.0000 0.0000 60.9884 32.9393 173.7805 112 P 4.7919 0.0000 0.0000 63.0422 32.2211 175.4156 113 T 4.7581 8.3247 111.1389 60.1029 72.9059 172.4905 114 V 4.7528 8.0593 120.3022 61.1284 35.0799 174.3245 115 I 3.9849 8.2739 127.1944 59.6644 38.9185 175.2291 116 D 4.9279 8.1899 126.5542 53.0404 42.9347 175.9394 117 A 4.4675 7.8736 123.2592 53.3589 18.8875 178.8993 118 G 4.1223 9.0114 111.2877 45.3011 0.0000 173.4090 119 Y 4.5426 7.9899 121.6161 57.5383 39.5701 174.7562 120 K 4.5950 8.8569 125.6021 55.2011 35.6357 175.1807 121 G 4.0013 8.9080 108.6056 43.6010 0.0000 173.0919 122 K 5.0413 8.3542 118.3106 55.9227 33.1212 177.1205 123 V 4.6233 8.8623 114.5117 59.8966 35.0575 174.7834 124 N 5.4428 8.5724 119.1806 51.8428 40.8030 174.3848 125 V 4.4543 8.9575 117.5613 59.4830 34.6941 174.7654 126 A 5.1703 8.5627 125.9259 50.6492 20.5415 176.1967 127 I 4.8196 9.2140 124.1900 60.0139 40.4794 174.8181 128 T 5.2483 9.2628 123.7493 61.8634 71.0595 173.2741 129 A 4.7428 8.9323 128.5189 51.0563 19.8170 178.1749 130 V 3.5252 8.1190 123.0079 64.8871 32.1669 175.3353 131 Y 4.8937 7.4489 115.5081 55.6452 42.2764 174.8277 132 N 4.7648 8.8990 118.9173 54.0392 39.3894 174.8728 133 S 4.7863 9.1602 118.0346 58.5486 66.6553 173.4255 134 S 5.1210 8.6018 112.3188 57.6554 65.8022 173.5692 135 L 4.6853 8.4203 120.5542 52.6707 45.3224 175.7554 136 K 4.5411 8.5204 124.7309 55.5524 33.0406 176.3574 137 K 3.4363 8.6234 129.7512 57.2786 32.3957 176.8107 138 G 3.4446 8.2130 114.9326 45.7248 0.0000 173.1680 *140 A 4.2549 7.3245 119.0323 52.3161 20.4927 176.6727 141 T 4.4215 8.8474 111.7665 62.0808 71.8258 173.7060 142 H 5.3342 8.2320 117.1104 53.8653 33.2708 172.5634 143 H 5.2739 9.2060 120.7591 54.6063 32.0692 172.7717 144 L 4.7827 9.4525 127.4464 53.9891 43.2725 175.8814 145 I 4.7208 8.3108 125.0625 59.5716 39.7515 174.6539 146 F 4.8591 8.9838 126.2545 56.4891 40.5399 174.5363 147 L 5.0264 9.1133 124.5442 52.8949 44.0814 175.6939 148 K 4.8319 8.5834 123.0310 55.3046 33.2232 176.6567 149 L 4.3858 8.7934 125.5258 54.2285 42.3763 178.1647 150 D 4.3615 8.8053 121.7066 56.1642 39.6008 176.6306 151 K 4.5695 7.2801 116.5443 54.1482 36.3716 173.7424 152 P 4.4049 0.0000 0.0000 62.9048 31.6922 176.5095 153 T 3.9873 8.5027 118.7463 62.3228 67.6726 173.9531 154 E 4.1879 8.6970 126.5064 57.1371 29.9390 176.6698 155 R 4.4035 7.7751 118.7560 54.2606 31.2108 174.4713 156 L 4.4454 8.2019 124.7025 53.6431 42.8169 176.6247 157 Y 4.2869 8.3412 122.8624 58.2075 39.1471 176.5631 158 N 4.5736 7.3443 122.2270 52.9943 38.2713 174.9474 159 G 3.5680 5.3800 109.5040 45.2203 0.0000 174.7239 160 K 4.0318 8.3286 117.3659 58.8608 32.6360 176.9999 161 Y 4.8687 8.1274 116.9992 57.5840 38.6315 175.2542 162 Q 4.3446 8.0188 121.7767 58.1282 29.3595 176.8928 163 G 3.8809 8.3167 113.6500 45.0785 0.0000 173.8271 164 G 4.2098 8.0930 106.6713 46.4788 0.0000 173.7961 165 I 3.8660 7.6708 120.7452 60.7999 37.5187 175.8644 166 L 4.0488 8.6435 128.1050 57.4982 42.1440 176.5358 167 I 4.2277 7.4300 121.2416 61.4832 37.7957 173.9441 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 10 I 7.92 4.87 1.90 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 1.43 2.43 0.94 0.00 0.00 11 L 8.54 4.36 0.00 1.70 1.55 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.71 4.47 0.00 4.03 4.05 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 13 H 9.05 4.09 0.00 3.56 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.12 4.02 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 15 S 7.55 4.11 0.00 4.00 3.91 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 16 I 7.67 3.55 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 0.73 0.00 0.00 17 K 8.09 3.74 0.00 1.80 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 18 N 7.56 4.43 0.00 2.81 2.78 0.00 0.00 7.05 7.73 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 19 L 7.86 4.12 0.00 1.48 1.48 0.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 L 6.62 3.73 0.00 1.10 0.13 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.68 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 0.00 0.00 0.00 22 K 7.48 4.33 0.00 1.60 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.42 7.81 23 V 8.19 4.14 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 1.31 0.00 0.00 0.93 0.00 0.00 24 I 7.43 4.37 1.54 0.00 0.00 0.60 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 0.46 0.30 0.00 0.00 25 L 8.61 4.93 0.00 1.65 1.54 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.44 4.13 0.00 2.90 2.84 0.00 0.00 6.92 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 27 Y 7.35 4.65 0.00 3.11 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 28 S 9.14 4.61 0.00 3.89 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 29 E 9.47 4.17 0.00 2.14 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 0.00 2.67 2.39 0.00 30 E 8.17 4.11 0.00 2.07 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 2.29 2.32 0.00 31 N 8.18 4.30 0.00 2.80 2.08 0.00 0.00 6.43 7.10 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 32 V 7.58 4.40 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 0.60 0.00 0.00 1.11 0.00 0.00 33 R 8.50 4.73 0.00 1.84 1.84 0.00 3.37 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 E 9.01 4.25 0.00 1.98 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 2.33 2.38 0.00 35 N 7.48 5.02 0.00 2.82 2.87 0.00 0.00 5.83 7.00 0.00 0.00 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 G 7.41 4.27 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 0.00 0.00 0.00 37 Y 8.59 5.33 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 38 D 8.12 5.12 0.00 2.28 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 39 L 8.95 4.62 0.00 2.03 1.67 1.35 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.36 5.04 0.00 1.83 1.87 0.00 3.27 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 41 I 8.09 4.78 1.89 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.08 0.75 0.00 0.00 42 C 9.53 4.54 0.00 2.83 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 43 G 9.19 4.31 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 0.00 44 D 8.65 4.69 0.00 2.69 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 45 K 8.09 5.38 0.00 1.31 1.35 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.33 7.81 46 Y 8.30 4.78 0.00 2.38 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 47 Y 8.69 5.04 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 48 E 8.70 4.53 0.00 2.11 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 2.01 1.61 0.00 49 L 8.25 4.50 0.00 1.52 1.51 0.87 0.69 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 50 V 8.98 4.35 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 0.62 0.00 0.00 0.97 0.00 0.00 51 Q 7.81 4.49 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 52 G 8.84 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 0.00 0.00 0.00 0.00 53 A 8.36 4.68 1.28 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 0.00 0.00 54 E 8.99 4.65 0.00 1.82 1.83 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 2.20 2.24 0.00 55 L 8.04 4.34 0.00 1.61 1.60 0.93 1.12 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 56 P 0.00 4.61 0.00 2.16 2.16 0.00 3.77 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 1.93 1.97 0.00 57 E 8.26 4.01 0.00 1.95 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 2.31 2.35 0.00 58 K 8.37 4.54 0.00 1.76 1.72 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.36 7.81 59 K 8.73 4.61 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.45 7.81 60 A 8.42 4.27 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 61 T 8.53 4.34 4.22 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 1.20 0.00 0.00 62 L 8.49 5.12 0.00 1.50 1.63 0.60 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.71 4.55 0.00 1.82 1.71 0.00 3.06 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 64 E 8.84 4.27 0.00 2.18 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 2.11 1.99 0.00 65 I 7.62 4.39 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.30 0.61 0.00 0.00 66 E 8.78 4.09 0.00 1.96 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 2.33 2.46 0.00 67 F 9.20 4.80 0.00 3.08 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 68 K 9.11 4.16 0.00 1.88 1.70 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.57 7.81 69 E 8.44 4.62 0.00 1.86 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 2.28 2.23 0.00 70 R 8.01 5.21 0.00 1.67 1.78 0.00 3.20 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 71 A 9.14 4.19 0.28 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 0.00 0.00 72 I 8.37 4.57 1.95 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 1.29 0.96 0.95 0.00 0.00 73 L 9.11 4.39 0.00 1.54 1.38 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.39 5.32 0.00 3.68 3.81 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 75 A 9.05 4.15 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 76 N 8.98 4.21 0.00 2.87 2.88 0.00 0.00 6.73 8.65 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 77 H 7.73 4.92 0.00 3.51 2.81 0.00 5.79 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 78 T 8.19 5.11 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 1.22 0.00 0.00 79 Y 9.33 5.03 0.00 2.87 2.45 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 0.00 80 L 8.89 5.22 0.00 1.62 1.59 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.21 5.31 0.00 3.02 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 82 E 9.06 5.17 0.00 2.26 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 2.48 2.44 0.00 83 S 8.90 4.91 0.00 4.11 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 84 C 9.14 4.57 0.00 2.92 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 85 E 8.33 4.40 0.00 1.92 1.27 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 2.41 2.52 0.00 86 E 8.74 4.76 0.00 1.96 1.68 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 2.18 2.25 0.00 87 F 9.09 5.45 0.00 3.30 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 88 N 8.98 5.30 0.00 2.83 2.79 0.00 0.00 7.08 7.18 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 *90 P 0.00 4.31 0.00 2.42 2.26 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 91 A 8.66 4.32 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 92 D 8.08 5.17 0.00 2.82 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 93 L 7.80 5.45 0.00 1.70 1.67 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.11 4.78 1.15 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 0.00 0.00 95 V 8.45 4.48 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 0.48 0.00 0.00 0.33 0.00 0.00 96 L 8.70 4.62 0.00 1.69 1.42 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.76 4.49 1.86 0.00 0.00 0.64 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 0.81 0.87 0.00 0.00 98 T 8.66 4.74 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 1.17 0.00 0.00 99 L 8.22 4.72 0.00 1.64 1.59 0.81 0.68 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 0.00 100 K 8.57 4.27 0.00 1.81 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.32 7.81 101 S 8.91 4.22 0.00 4.06 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 0.00 102 T 7.84 3.88 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 1.20 0.00 0.00 103 L 7.87 4.15 0.00 1.83 1.75 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.97 4.24 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 0.00 105 R 8.26 4.15 0.00 1.92 2.08 0.00 3.04 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 106 N 7.83 4.81 0.00 3.20 3.02 0.00 0.00 7.08 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 0.00 107 G 8.19 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 0.00 108 F 7.96 5.26 0.00 3.11 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 0.00 109 L 8.99 5.05 0.00 1.61 1.57 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.33 5.03 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 0.00 111 P 0.00 4.60 0.00 2.18 2.06 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 112 P 0.00 4.79 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 113 T 8.32 4.76 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 1.15 0.00 0.00 114 V 8.06 4.75 1.97 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 0.75 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8.86 4.62 1.98 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 0.56 0.00 0.00 1.03 0.00 0.00 124 N 8.57 5.44 0.00 2.49 2.72 0.00 0.00 6.82 7.68 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 0.00 125 V 8.96 4.45 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 0.57 0.00 0.00 1.10 0.00 0.00 126 A 8.56 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 127 I 9.21 4.82 2.28 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 1.38 0.92 1.11 0.00 0.00 128 T 9.26 5.25 4.32 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 1.31 0.00 0.00 129 A 8.93 4.74 1.49 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 0.00 0.00 0.00 130 V 8.12 3.53 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 0.11 0.00 0.00 0.84 0.00 0.00 131 Y 7.45 4.89 0.00 2.71 2.74 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.85 4.42 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 0.96 0.00 0.00 142 H 8.23 5.33 0.00 3.14 3.35 0.00 5.76 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 0.00 143 H 9.21 5.27 0.00 3.11 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.45 4.78 0.00 1.71 1.19 1.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.31 4.72 1.78 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 1.10 0.58 0.90 0.00 0.00 146 F 8.98 4.86 0.00 2.99 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 0.00 147 L 9.11 5.03 0.00 1.56 1.56 0.94 0.93 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 0.00 148 K 8.58 4.83 0.00 1.66 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 149 L 8.79 4.39 0.00 1.65 1.73 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.81 4.36 0.00 2.79 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 0.00 151 K 7.28 4.57 0.00 1.64 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 152 P 0.00 4.40 0.00 2.05 2.02 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 153 T 8.50 3.99 4.27 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 1.33 0.00 0.00 154 E 8.70 4.19 0.00 2.01 1.98 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 2.31 2.30 0.00 155 R 7.78 4.40 0.00 1.74 1.83 0.00 3.26 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 156 L 8.20 4.45 0.00 1.72 1.65 0.95 0.95 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 0.00 157 Y 8.34 4.29 0.00 3.03 3.12 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 0.00 158 N 7.34 4.57 0.00 2.69 2.70 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 5.38 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 0.00 160 K 8.33 4.03 0.00 1.63 1.76 0.00 1.31 0.00 0.00 1.28 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.94 0.24 7.81 161 Y 8.13 4.87 0.00 3.35 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 0.00 162 Q 8.02 4.34 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 163 G 8.32 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 0.00 164 G 8.09 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 0.00 0.00 0.00 0.00 165 I 7.67 3.87 2.25 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 1.04 0.00 0.00 166 L 8.64 4.05 0.00 1.53 1.63 0.79 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 167 I 7.43 4.23 1.81 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 1.32 0.81 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.