NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 P 4.4318 0.0000 0.0000 61.9750 33.3284 177.6925 60 S 4.1356 8.1260 113.4491 59.5169 63.4329 173.1538 61 L 4.5787 8.0838 121.4998 55.0019 44.4500 179.3410 62 A 4.5402 7.2934 122.4854 51.3103 17.4853 178.5023 63 Q 4.5662 7.8144 114.9507 58.2952 32.4504 176.0167 64 Q 4.3467 8.3829 117.0653 56.7692 29.0790 177.0271 65 R 4.3838 7.7688 117.9945 57.0781 31.8915 177.7218 66 A 3.8875 8.0645 118.8331 55.3989 18.8922 179.3331 67 R 4.0651 7.8546 115.8739 58.7516 29.9389 178.9336 68 R 3.8743 7.2963 118.3670 59.1836 30.9058 179.0046 69 A 4.4232 7.2867 121.0011 51.2141 17.1705 176.7756 70 Q 4.7590 7.8286 121.5920 57.4986 36.9800 175.8163 71 L 4.0471 7.3355 118.5397 54.6372 42.5739 175.1384 72 P 4.5250 0.0000 0.0000 61.9255 32.1170 174.2905 73 P 4.7548 0.0000 0.0000 62.5598 32.7611 175.2292 74 A 5.0587 8.5210 123.9775 51.9176 22.4063 174.7890 75 F 5.0221 8.4738 112.8654 55.9005 41.2408 173.3913 76 D 4.8250 8.5768 118.7597 52.4384 45.0218 175.2673 77 V 4.0131 7.5475 121.5672 61.0056 32.1646 175.8242 78 V 3.2283 8.2208 128.6149 62.9038 30.7359 175.5650 79 H 5.0291 7.6689 130.0834 54.6453 29.0506 174.2422 80 W 5.1493 8.0408 117.4511 57.0418 30.0322 176.5573 81 N 4.6586 8.0035 112.3224 53.3359 40.8773 173.4390 82 D 4.4802 8.1095 123.2360 57.1138 41.3756 178.6672 83 E 3.9377 8.2589 114.8730 56.8427 28.9571 176.1859 84 D 5.1952 7.6251 128.9765 54.1895 44.9618 175.5003 85 I 4.4915 8.5597 127.2964 60.6072 38.9023 173.9527 86 S 4.7319 9.0498 121.3853 59.0291 59.9215 174.3436 87 R 4.1570 7.4212 116.7453 58.8280 30.2689 177.4283 88 G 4.1977 8.1953 105.8133 46.3373 0.0000 172.6683 89 H 5.1848 9.6584 118.7460 55.6222 31.2276 173.4844 90 L 4.3386 8.3878 121.6231 54.1007 44.2322 173.6361 91 L 4.7216 8.3560 128.8560 54.6842 43.8496 175.2766 92 R 4.7709 8.8014 124.5135 53.3848 33.1086 174.7090 93 V 4.7077 7.6998 123.7546 61.3929 34.1058 174.5284 94 L 5.2397 8.8567 125.7971 53.9489 47.0975 174.6821 95 H 5.4671 8.9735 119.3467 54.7040 31.1165 171.7493 96 R 4.4943 8.5569 123.9712 54.7437 32.7282 175.6895 97 D 4.4910 9.1303 123.0803 54.7877 40.9537 174.3733 98 T 4.5696 7.4857 107.3916 60.2106 68.5016 175.3227 99 F 5.4464 8.4204 119.5836 56.8818 43.9093 175.8630 100 V 4.4570 9.9730 124.0324 62.2430 31.5179 175.2176 101 V 4.2891 8.7401 129.5488 61.9702 33.0144 174.5918 102 L 4.9269 9.2931 128.9847 53.4521 43.7191 175.5867 103 D 4.9086 9.1402 126.4937 52.8291 42.2769 174.9840 104 Y 4.9676 8.1154 126.3321 56.6704 40.4901 173.8670 105 H 5.5832 8.6117 122.3363 52.9039 32.7314 172.6994 106 R 4.6938 8.1229 119.2826 54.3040 31.2040 175.7162 107 Q 4.1661 8.7668 125.3861 56.7567 29.3978 174.2099 108 A 4.5212 8.8521 123.3981 53.5305 21.9545 180.3196 109 R 4.1308 7.2255 120.2474 55.2167 32.2167 175.2600 *111 L 4.0027 8.4673 122.1873 55.8978 43.1177 179.1031 112 T 4.1975 8.4080 111.3164 61.2168 68.1790 173.2510 113 E 4.5373 7.7287 134.2138 56.0253 35.9810 178.3371 114 E 4.7422 8.9162 117.3054 56.1936 34.6772 176.9887 115 G 4.0397 9.3071 105.8016 45.2346 0.0000 174.2628 116 N 4.8182 8.0608 119.8987 50.9625 38.6858 174.9158 117 K 3.6316 8.1743 121.3157 57.4695 30.9347 174.5470 118 A 5.1493 7.4690 116.5649 50.1059 23.0066 174.1737 119 E 4.5281 8.3959 117.8078 54.1450 33.1899 174.8112 120 R 4.4028 8.7687 126.8693 58.7690 30.8946 175.3674 121 V 4.6108 8.3323 123.3237 63.3991 34.8916 177.5514 122 V 4.0320 8.9176 116.8936 61.1804 33.5948 176.1387 123 S 4.7940 8.5157 117.2508 56.9034 65.5334 173.0645 124 V 4.7005 8.4252 127.2157 61.2569 34.5479 173.4884 *126 L 4.6000 8.2941 117.2755 54.3090 43.4372 175.3309 127 P 4.5810 0.0000 0.0000 62.1449 32.3674 177.3764 128 A 4.1781 8.8540 124.1000 55.2878 18.6756 180.6429 129 V 3.6472 7.9141 114.6703 65.2176 31.7152 177.8935 130 Y 4.6572 7.9291 118.1130 60.7128 37.5850 177.7421 131 T 4.1674 8.2660 117.6612 65.6782 68.1605 175.2117 132 A 4.1466 8.1030 128.6049 54.7430 19.2083 179.5890 133 R 4.0084 8.0175 117.0189 59.1489 30.3590 178.8056 134 F 3.9493 8.1356 117.4099 60.6943 38.9690 177.6070 135 L 3.9902 8.2664 117.7165 57.7388 41.2389 179.3891 136 A 3.9733 7.9340 120.6913 55.9723 18.1851 179.0019 137 V 4.0471 8.0076 118.1896 64.4881 31.1257 178.1442 138 L 3.3072 7.5095 120.5435 57.8813 42.1568 179.2352 139 E 4.1781 8.0379 116.6777 57.0815 29.9744 177.2923 140 G 4.1865 9.2161 108.9671 46.5001 0.0000 173.7260 141 R 4.3780 7.3344 114.8370 56.8463 34.0270 177.0105 142 S 4.2874 7.9482 112.2817 58.8741 63.6804 174.5559 143 E 4.5970 8.2516 122.4372 55.9350 30.1738 175.4938 144 K 4.7225 7.4909 118.0989 55.7344 36.0538 174.8123 145 V 4.3179 8.0519 122.3606 60.1286 34.9268 173.3645 146 E 4.9178 8.4762 123.4774 54.5201 31.8478 175.4802 147 V 4.0615 8.4371 118.1130 59.2495 34.1801 176.6393 148 H 5.2191 8.3249 125.0242 54.7156 29.1072 174.9508 149 S 4.2778 8.3285 113.0347 58.3303 62.7715 173.0558 150 R 4.0472 8.1392 122.6274 59.7779 30.2589 176.9755 151 Y 4.6802 8.2007 112.6877 58.6302 38.1304 175.5542 152 T 4.8331 7.5833 110.3070 61.2812 70.4157 172.2970 153 N 5.0773 8.7661 125.6849 52.9565 40.8437 174.4297 154 A 4.5457 8.9873 123.8953 52.3691 23.5991 174.2239 155 T 5.2982 8.3107 106.2359 61.7081 72.6717 172.7961 156 F 5.0751 8.4733 123.3383 57.5607 42.7049 172.9653 157 T 4.4920 8.5709 115.9354 59.3075 72.8297 171.0520 158 P 5.2436 0.0000 0.0000 62.2929 32.8609 175.4811 159 N 4.8363 8.7652 122.2576 51.7012 39.8413 174.3542 160 P 4.2850 0.0000 0.0000 65.1620 32.0465 177.4908 161 A 4.0327 8.1436 121.3241 54.4082 18.4680 177.3540 162 A 4.5620 7.1559 116.3114 50.0262 22.3723 174.0881 163 P 3.9835 0.0000 0.0000 63.2686 32.3819 176.0272 164 Y 3.7843 8.3033 119.0718 59.1424 35.1488 169.2391 165 T 4.5214 6.3718 107.0826 59.2956 73.0778 173.0490 166 F 5.4324 8.7863 120.9625 56.5733 44.4656 173.1938 167 T 5.0821 9.2167 115.2733 62.1681 72.6025 173.5791 168 L 5.2467 9.3572 128.7533 52.3268 42.9397 174.9262 169 K 4.8728 8.0104 123.5723 55.2141 35.0092 175.5462 170 C 4.8536 8.0175 118.2174 58.1646 32.7947 173.3834 171 T 5.0774 8.6248 111.0723 59.9208 67.4191 173.0817 172 S 4.6400 8.9191 120.0145 59.2410 64.4268 175.0936 173 T 4.0518 7.9615 114.0140 61.8674 69.2333 175.0388 174 R 4.4808 8.2086 125.5435 54.0110 30.9879 171.8473 175 P 4.8056 0.0000 0.0000 61.3805 34.0092 175.0878 *188 D 4.7135 8.3368 119.4569 53.4854 42.0341 177.9239 189 E 4.9131 8.3108 122.9050 56.8253 32.1578 173.6512 190 T 4.8403 8.6906 115.1953 60.3132 70.4268 172.4482 191 F 5.2612 8.7895 130.1868 56.7336 41.5554 173.8904 192 E 5.0215 8.8169 125.4400 54.0387 31.4505 175.1932 193 W 4.9971 7.9080 118.3901 56.2297 31.7864 173.2816 194 T 4.5431 7.9570 114.8637 62.6517 72.5247 172.5153 195 V 4.6627 8.2020 125.2172 61.0346 34.8077 173.9690 196 E 5.0092 8.6996 125.7199 54.6412 31.7674 175.3869 197 F 4.7703 9.1257 124.9921 56.6948 39.9888 175.6319 198 D 4.8313 10.6100 124.8682 52.9682 41.1995 178.5382 199 V 3.8957 8.4597 117.7054 66.9588 31.8832 177.3520 200 A 4.1608 7.8554 120.3134 55.4206 18.1738 178.5229 201 E 4.3055 8.9107 116.8808 59.7673 29.5939 180.1379 202 S 4.4900 9.5167 115.6134 61.3821 63.1452 178.8343 203 L 3.9335 8.6625 125.0392 54.6486 41.7053 178.5813 *205 L 3.7073 7.9447 120.3679 54.6308 44.0495 177.9973 206 Q 3.8891 7.7190 118.5372 59.3068 28.9384 178.4120 207 R 3.8538 8.0779 119.0597 59.4047 30.0808 178.3188 208 F 3.9183 8.1267 119.5300 61.8487 39.2335 177.0738 209 L 3.9996 8.5978 118.4420 57.9746 41.3734 179.9818 210 T 3.8446 8.1061 116.1285 66.7509 68.5751 176.5702 211 Q 4.0413 8.3763 120.1149 59.6116 28.6365 178.2969 212 A 3.7653 8.2265 121.8089 54.2733 18.1401 179.2032 213 L 3.8956 8.0283 116.3460 58.2770 41.9902 179.0849 214 H 4.2840 8.3246 117.9221 59.8313 28.9730 176.7347 215 Y 3.8921 7.8876 117.5810 61.2628 37.6284 177.6900 216 N 4.9155 8.7021 116.9328 56.7070 38.7254 176.5279 217 T 4.1253 7.9094 114.4290 62.8523 69.0547 174.5307 218 G 3.6141 9.2394 108.9374 46.9391 0.0000 174.1395 219 F 4.9202 7.4421 113.0030 57.0492 39.1331 176.9429 220 A 4.6807 7.8066 121.9237 51.6291 20.3933 177.5478 221 R 4.1279 8.1975 119.4675 56.6457 30.1160 176.3952 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 59 P 0.00 4.43 0.00 2.20 2.15 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 60 S 8.13 4.14 0.00 4.06 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 61 L 8.08 4.58 0.00 1.67 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.29 4.54 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 63 Q 7.81 4.57 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 64 Q 8.38 4.35 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.30 0.00 65 R 7.77 4.38 0.00 1.81 1.93 0.00 3.34 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 66 A 8.06 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.85 4.07 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 68 R 7.30 3.87 0.00 2.24 1.97 0.00 3.43 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 69 A 7.29 4.42 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 70 Q 7.83 4.76 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 71 L 7.34 4.05 0.00 1.54 1.74 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.53 0.00 2.15 2.03 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 73 P 0.00 4.75 0.00 2.09 1.93 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 74 A 8.52 5.06 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 75 F 8.47 5.02 0.00 3.13 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 76 D 8.58 4.82 0.00 2.49 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 0.00 0.00 0.00 0.00 77 V 7.55 4.01 1.70 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 0.31 0.00 0.00 0.75 0.00 0.00 78 V 8.22 3.23 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 0.49 0.00 0.00 0.82 0.00 0.00 79 H 7.67 5.03 0.00 2.80 2.63 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.04 5.15 0.00 3.25 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 81 N 8.00 4.66 0.00 2.74 2.79 0.00 0.00 7.21 8.35 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 82 D 8.11 4.48 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.94 0.00 1.95 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 0.00 2.34 2.39 0.00 84 D 7.63 5.20 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.56 4.49 1.89 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 1.30 0.96 0.97 0.00 0.00 86 S 9.05 4.73 0.00 3.97 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 0.00 87 R 7.42 4.16 0.00 2.19 2.04 0.00 3.41 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 88 G 8.20 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 0.00 0.00 0.00 0.00 89 H 9.66 5.18 0.00 3.66 3.57 0.00 5.28 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 90 L 8.39 4.34 0.00 0.52 1.24 0.57 0.34 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 91 L 8.36 4.72 0.00 1.91 1.40 1.03 0.89 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 92 R 8.80 4.77 0.00 1.67 1.75 0.00 3.32 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 93 V 7.70 4.71 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 0.65 0.00 0.00 0.78 0.00 0.00 94 L 8.86 5.24 0.00 1.71 1.63 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.97 5.47 0.00 3.23 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.56 4.49 0.00 1.92 1.85 0.00 3.36 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 97 D 9.13 4.49 0.00 2.71 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 0.00 0.00 0.00 0.00 98 T 7.49 4.57 3.99 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 1.12 0.00 0.00 99 F 8.42 5.45 0.00 3.11 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 0.00 100 V 9.97 4.46 2.24 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 0.71 0.00 0.00 1.15 0.00 0.00 101 V 8.74 4.29 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 1.04 0.00 0.00 1.09 0.00 0.00 102 L 9.29 4.93 0.00 1.72 1.74 1.04 0.86 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 0.00 103 D 9.14 4.91 0.00 2.45 2.42 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 0.00 0.00 0.00 0.00 104 Y 8.12 4.97 0.00 2.51 2.46 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 0.00 0.00 0.00 0.00 105 H 8.61 5.58 0.00 3.24 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.12 4.69 0.00 1.86 1.92 0.00 2.97 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 107 Q 8.77 4.17 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 108 A 8.85 4.52 1.13 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 0.00 109 R 7.23 4.13 0.00 1.67 2.09 0.00 3.22 0.00 0.00 3.29 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 *111 L 8.47 4.00 0.00 1.68 1.44 0.79 0.95 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 0.00 112 T 8.41 4.20 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 0.00 113 E 7.73 4.54 0.00 1.99 1.73 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 2.18 2.14 0.00 114 E 8.92 4.74 0.00 1.99 1.94 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 2.00 2.16 0.00 115 G 9.31 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 0.00 0.00 0.00 116 N 8.06 4.82 0.00 2.72 2.82 0.00 0.00 5.91 7.13 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 0.00 117 K 8.17 3.63 0.00 1.89 1.45 0.00 1.32 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 0.96 7.81 118 A 7.47 5.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.53 0.00 2.02 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 2.15 2.20 0.00 120 R 8.77 4.40 0.00 1.92 1.85 0.00 3.29 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 121 V 8.33 4.61 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 0.72 0.00 0.00 0.76 0.00 0.00 122 V 8.92 4.03 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 -0.56 0.00 0.00 0.90 0.00 0.00 123 S 8.52 4.79 0.00 3.81 3.70 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 0.00 124 V 8.43 4.70 2.28 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 0.96 0.00 0.00 1.29 0.00 0.00 *126 L 8.29 4.60 0.00 1.89 2.04 1.05 1.34 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 0.00 127 P 0.00 4.58 0.00 1.90 1.98 0.00 3.42 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 1.70 1.95 0.00 128 A 8.85 4.18 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 0.00 129 V 7.91 3.65 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 0.54 0.00 0.00 0.96 0.00 0.00 130 Y 7.93 4.66 0.00 3.38 3.18 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 0.00 131 T 8.27 4.17 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 1.29 0.00 0.00 132 A 8.10 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 0.00 133 R 8.02 4.01 0.00 1.94 1.79 0.00 3.57 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.06 0.00 134 F 8.14 3.95 0.00 3.09 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 0.00 135 L 8.27 3.99 0.00 1.71 1.92 0.93 0.83 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 0.00 136 A 7.93 3.97 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 0.00 137 V 8.01 4.05 2.42 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 1.13 0.00 0.00 0.96 0.00 0.00 138 L 7.51 3.31 0.00 1.59 1.65 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.04 4.18 0.00 2.02 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 2.32 2.40 0.00 140 G 9.22 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 0.00 0.00 0.00 0.00 141 R 7.33 4.38 0.00 1.95 1.74 0.00 3.16 0.00 0.00 3.14 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 142 S 7.95 4.29 0.00 3.81 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 0.00 143 E 8.25 4.60 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 144 K 7.49 4.72 0.00 1.68 1.56 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.28 7.81 145 V 8.05 4.32 1.70 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 0.62 0.00 0.00 -0.26 0.00 0.00 146 E 8.48 4.92 0.00 1.65 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 2.12 2.18 0.00 147 V 8.44 4.06 2.26 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 0.57 0.00 0.00 1.04 0.00 0.00 148 H 8.32 5.22 0.00 3.34 3.34 0.00 5.70 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.33 4.28 0.00 3.94 4.17 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 0.00 150 R 8.14 4.05 0.00 1.94 2.19 0.00 3.51 0.00 0.00 3.54 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 151 Y 8.20 4.68 0.00 3.03 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 0.00 152 T 7.58 4.83 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 153 N 8.77 5.08 0.00 2.91 2.80 0.00 0.00 6.72 7.63 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 0.00 154 A 8.99 4.55 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 0.00 155 T 8.31 5.30 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 1.21 0.00 0.00 156 F 8.47 5.08 0.00 3.43 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 0.00 157 T 8.57 4.49 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 1.17 0.00 0.00 158 P 0.00 5.24 0.00 2.04 2.30 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 159 N 8.77 4.84 0.00 2.69 2.55 0.00 0.00 7.07 8.50 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 0.00 160 P 0.00 4.28 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 161 A 8.14 4.03 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 0.00 162 A 7.16 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 3.98 0.00 1.36 1.24 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 164 Y 8.30 3.78 0.00 3.13 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 0.00 165 T 6.37 4.52 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 1.14 0.00 0.00 166 F 8.79 5.43 0.00 2.89 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 0.00 167 T 9.22 5.08 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 1.25 0.00 0.00 168 L 9.36 5.25 0.00 2.27 1.92 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.01 4.87 0.00 1.70 1.76 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.21 7.81 170 C 8.02 4.85 0.00 1.23 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 0.00 171 T 8.62 5.08 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 1.20 0.00 0.00 172 S 8.92 4.64 0.00 4.34 4.57 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 0.00 173 T 7.96 4.05 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 1.30 0.00 0.00 174 R 8.21 4.48 0.00 1.91 1.83 0.00 3.31 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 175 P 0.00 4.81 0.00 2.15 1.96 0.00 3.14 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 *188 D 8.34 4.71 0.00 2.82 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 0.00 0.00 0.00 189 E 8.31 4.91 0.00 2.01 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 2.17 2.22 0.00 190 T 8.69 4.84 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 1.26 0.00 0.00 191 F 8.79 5.26 0.00 3.11 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 0.00 192 E 8.82 5.02 0.00 2.09 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 2.23 1.69 0.00 193 W 7.91 5.00 0.00 3.06 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 0.00 194 T 7.96 4.54 4.11 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 1.12 0.00 0.00 195 V 8.20 4.66 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 0.74 0.00 0.00 0.82 0.00 0.00 196 E 8.70 5.01 0.00 1.85 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 2.18 2.22 0.00 197 F 9.13 4.77 0.00 3.27 3.29 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 0.00 198 D 10.61 4.83 0.00 2.83 2.85 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 0.00 199 V 8.46 3.90 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 1.38 0.00 0.00 0.95 0.00 0.00 200 A 7.86 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.91 4.31 0.00 2.43 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 0.00 2.44 2.64 0.00 202 S 9.52 4.49 0.00 4.29 4.40 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 0.00 203 L 8.66 3.93 0.00 1.72 1.87 0.93 0.09 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 *205 L 7.94 3.71 0.00 1.51 1.50 0.78 -0.15 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 0.00 206 Q 7.72 3.89 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 207 R 8.08 3.85 0.00 1.78 1.94 0.00 3.34 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 208 F 8.13 3.92 0.00 2.68 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 0.00 209 L 8.60 4.00 0.00 1.90 1.76 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.11 3.84 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 1.17 0.00 0.00 211 Q 8.38 4.04 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 212 A 8.23 3.77 1.08 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 0.00 0.00 213 L 8.03 3.90 0.00 1.93 1.74 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 214 H 8.32 4.28 0.00 3.32 3.38 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 7.89 3.89 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 N 8.70 4.92 0.00 2.83 2.90 0.00 0.00 7.14 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 0.00 217 T 7.91 4.13 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 0.77 0.00 0.00 218 G 9.24 3.61 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 0.00 0.00 0.00 219 F 7.44 4.92 0.00 2.63 2.57 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 0.00 220 A 7.81 4.68 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 R 8.20 4.13 0.00 1.83 1.90 0.00 3.29 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.