NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 S 4.4234 8.3344 117.1021 58.2356 63.9867 173.0671 4 T 4.3920 8.2389 118.8079 58.3318 69.3077 171.2795 5 S 4.7853 9.2811 123.7860 56.5200 67.1959 172.3942 6 D 5.0148 8.5764 120.9141 52.5574 43.3783 175.6563 7 L 4.8542 8.0972 122.0178 52.5523 45.6087 176.4242 8 I 3.9083 8.1865 122.7862 60.5893 37.7013 174.6339 9 P 4.4059 0.0000 0.0000 61.9561 31.9134 176.3109 10 A 3.2045 8.3025 124.4772 51.3643 18.9091 175.8727 11 P 4.3744 0.0000 0.0000 60.8834 32.7922 174.4396 12 P 4.3328 0.0000 0.0000 62.3383 32.0859 177.4245 13 L 3.8899 8.4804 120.4474 57.8370 41.6379 179.3312 14 S 4.1972 7.8641 111.0926 59.8394 63.1529 174.6326 15 K 4.2099 8.0054 120.4277 56.0056 31.8864 176.3916 16 V 4.1963 7.2598 119.6064 60.1379 32.1912 173.6492 17 P 4.3819 0.0000 0.0000 62.2619 31.9908 175.0093 18 L 4.9924 7.8929 122.1137 52.9642 44.3350 175.6931 19 Q 4.0752 8.9438 128.3229 56.4082 29.8075 175.7047 20 Q 4.3079 8.8164 125.6252 55.9671 29.7177 175.6437 21 N 4.1714 8.5726 116.9443 54.3945 36.0714 175.0366 22 F 4.3913 8.1274 118.7180 58.3903 40.5516 174.2227 23 Q 4.2767 8.5386 128.2299 53.9753 28.5165 175.8877 24 D 4.8458 8.7584 126.5049 55.8972 39.5109 178.1645 25 N 4.4460 8.0732 117.9608 55.8526 37.2283 176.6179 26 Q 4.1992 7.5019 118.1081 56.9767 29.0106 177.0654 27 F 4.9641 7.8478 120.6334 58.5479 39.9132 175.2480 28 Q 4.3631 7.1849 115.8244 56.7454 29.4682 175.9875 29 G 3.6025 9.2884 105.1247 44.0051 0.0000 171.9442 30 K 4.6133 7.7492 119.3787 55.1487 33.5373 177.1601 31 W 5.0009 8.6226 125.5206 55.0846 33.2098 174.0126 32 Y 4.7134 9.3829 121.8066 57.1530 39.5404 175.4366 33 V 4.5133 8.1159 123.8524 62.3995 30.2312 175.7509 34 V 4.0938 9.0091 122.1514 62.3740 33.0820 176.2822 35 G 3.7794 7.6172 106.4714 44.2233 0.0000 171.4855 36 L 5.2874 8.7702 123.4859 53.4888 45.8408 174.5917 37 A 5.0854 9.2862 127.1233 50.1943 23.1119 175.0434 38 G 3.7425 7.8494 107.1154 46.0414 0.0000 173.6887 39 N 4.3356 7.8771 116.4037 53.9284 37.6274 175.8468 40 A 4.6814 7.7620 120.4411 51.8304 19.9412 175.3331 41 I 4.3052 7.3159 120.1123 60.6461 38.3957 175.0583 42 L 5.0042 8.2153 126.7978 53.0128 44.8633 177.3880 43 R 4.0802 8.4645 124.5171 57.2857 29.5839 175.1731 44 E 4.6714 8.4202 118.6842 53.8533 30.8147 175.4968 45 D 4.5489 8.6365 126.5356 56.2801 40.4753 179.2111 *46 K 4.1881 8.1790 118.5866 57.5978 32.2281 181.1265 47 D 4.9822 7.5874 118.0108 50.4414 40.7072 173.1236 48 P 4.4359 0.0000 0.0000 61.9087 32.1445 176.7965 49 Q 4.1434 8.6088 121.9394 56.4629 30.1128 174.9897 50 K 4.7388 8.5857 125.4495 55.3064 33.5542 176.3224 51 M 4.3584 8.7125 124.6154 56.5030 33.1089 174.5615 52 Y 5.2019 8.3820 121.1293 55.3690 42.5416 173.2383 53 A 5.1265 8.9809 119.4912 50.5076 23.2685 175.2430 54 T 4.9414 8.8778 115.6312 61.9008 72.6588 173.1118 55 I 4.7874 9.1645 128.3331 59.9070 39.5473 174.1674 56 Y 4.6603 9.0877 125.8701 56.4990 39.7129 174.5379 57 E 5.0315 8.9513 124.2990 54.3225 32.6294 175.4160 58 L 4.6799 9.7702 126.1120 54.6035 42.4707 177.6729 59 K 4.4180 9.1225 124.3308 54.7724 33.7866 177.4043 60 E 3.9056 8.8499 120.5931 59.7498 29.3054 177.4736 61 D 4.5148 8.0253 113.5824 53.6397 39.3091 176.5549 62 K 3.9130 8.1490 117.7871 57.3346 30.1344 176.0412 63 S 4.7578 8.1183 115.8307 58.2244 64.7817 172.5777 64 Y 5.0957 9.0223 119.2914 56.6138 40.7411 174.4627 65 N 4.8982 9.6447 122.8460 52.3297 40.9199 173.6415 66 V 4.4072 8.8497 126.9741 61.2589 33.9470 174.2117 67 T 5.1697 8.3990 124.5796 61.9529 71.5393 173.1706 68 S 5.4685 9.4475 123.2605 56.7076 66.1075 173.6297 69 V 4.9604 8.9885 122.7710 60.0569 34.4465 174.5404 70 L 5.2245 8.6568 122.7009 52.9997 46.5867 174.8039 71 F 5.5236 8.8949 125.2276 57.4619 40.9600 175.9967 72 R 4.2534 9.0608 123.8164 56.0942 33.7360 171.7349 73 K 3.5581 9.0068 121.9612 56.8726 29.4050 176.0828 74 K 3.8922 7.6700 113.2895 56.8217 30.3903 175.7430 75 K 4.8161 7.5801 117.9489 54.5964 35.5305 174.0614 76 C 5.1279 8.7032 117.9541 56.1543 36.9684 172.8882 77 D 5.0168 9.1081 124.3764 52.7182 42.9942 174.8512 78 Y 5.3534 8.6056 120.5230 56.1353 40.4534 175.0699 79 W 4.9487 9.7185 123.4752 54.9485 32.5686 174.4531 80 I 5.1889 8.5926 124.5132 59.7824 39.8166 174.8992 81 R 4.8510 9.2709 124.0939 55.3452 35.6397 173.7023 82 T 5.0763 8.5934 116.3500 61.9979 71.5224 173.3294 83 F 5.7565 9.1597 125.1285 56.1452 41.4893 174.9150 84 V 5.0052 9.1826 117.7183 57.8691 34.2107 173.6913 85 P 4.1789 0.0000 0.0000 63.2114 31.3675 176.3439 86 G 4.1202 8.2920 114.4148 46.1807 0.0000 175.7935 87 S 4.3764 8.8060 116.8446 60.3650 63.8052 174.4941 88 Q 4.4999 7.4107 116.8579 52.9208 31.5395 172.2606 89 P 4.3074 0.0000 0.0000 64.7563 31.7453 176.8842 90 G 2.9679 8.6643 111.0706 44.3415 0.0000 172.0478 91 E 5.0043 7.2732 118.9313 54.5499 32.8789 175.0828 92 F 5.2716 9.0590 120.1298 56.5472 44.4468 172.9951 93 T 5.2355 9.3156 114.7874 60.2289 71.4352 171.9363 94 L 4.9530 8.5799 126.0174 53.9685 42.9087 176.3338 95 G 3.8936 9.5140 116.5951 46.8225 0.0000 173.4244 96 N 4.4343 8.8763 116.4258 52.4109 35.3377 176.5617 97 I 3.6199 8.1719 123.7239 65.2793 38.5425 177.9753 *98 K 3.8734 8.5467 120.9800 57.8150 31.2186 180.7551 99 S 4.3139 8.2038 110.6597 59.2574 63.0541 173.3267 100 Y 4.6140 8.4613 120.4940 55.5608 39.5142 173.2871 101 P 4.1788 0.0000 0.0000 64.0543 31.7767 176.8649 102 G 4.1476 9.2639 111.4027 46.1101 0.0000 171.7827 103 L 5.0304 7.3729 120.9466 53.7419 42.6897 175.6598 104 T 4.7356 8.6816 116.6739 62.0198 70.6129 174.6264 105 S 4.8130 7.8615 115.6795 57.5361 66.4631 172.7705 106 Y 5.0680 8.3981 122.4593 56.3899 41.7821 173.5933 107 L 4.9707 8.7097 128.3388 53.2123 46.0641 174.9755 108 V 4.4963 8.7587 125.1912 60.9193 34.8612 174.1361 109 R 4.7589 8.5824 127.2965 54.2680 33.2863 174.2024 110 V 3.6320 8.6770 128.3337 63.0765 31.7557 176.7824 111 V 4.3681 8.7039 129.4869 65.1589 32.0028 176.2173 112 S 5.1029 7.2000 111.1360 59.1417 65.4889 174.7058 113 T 4.5197 8.4334 112.3427 62.5461 69.6592 172.3484 114 N 4.7554 8.0613 122.6954 52.1928 37.7774 176.7883 115 Y 4.1407 8.0329 120.4802 59.2899 37.7397 170.2234 116 N 4.8368 8.6122 115.9861 53.1984 38.7044 175.4366 117 Q 4.6704 8.2880 117.2388 57.3559 32.6142 179.5610 118 H 5.7778 8.9665 113.4615 54.8694 32.7843 172.2164 119 A 4.6412 8.5354 118.1126 51.5034 23.2103 175.2563 120 M 5.0998 8.9858 119.2387 53.5139 35.8715 174.9325 121 V 4.5793 8.5351 123.0850 60.9058 35.1723 173.6942 122 F 5.3995 8.7215 129.8552 56.7663 41.4909 174.3167 123 F 4.9425 8.8070 123.9226 55.3924 42.9179 173.9177 124 K 4.9673 8.4712 122.8690 54.5873 35.6214 175.0839 125 K 5.1013 9.4189 125.3939 55.3670 36.9752 175.0310 126 V 4.8772 8.9644 121.2929 61.3062 34.1209 174.2108 127 S 5.0195 9.0163 122.6472 57.1340 65.6966 173.9521 128 Q 3.4337 10.3805 127.6246 57.4025 26.7290 174.7217 129 N 4.3271 8.2917 110.0474 53.8757 37.1065 174.6013 130 R 4.2915 8.0731 118.5773 54.4479 31.6650 174.9325 131 E 4.7302 8.3271 123.4080 55.5089 30.2460 174.5729 132 Y 5.2205 8.9708 125.9453 56.4388 40.9971 175.0760 133 F 5.4591 9.2375 116.6756 55.4710 41.9559 173.3280 134 K 4.9132 8.8283 118.5510 56.0133 36.7555 174.6446 135 I 5.4702 9.3935 121.6703 59.9042 41.1798 174.6133 136 T 4.8546 9.2167 117.2419 59.8299 71.6122 173.2189 137 L 4.5565 8.1474 127.2197 53.8219 43.5255 174.4624 138 Y 5.4325 8.8781 125.4580 56.7270 40.2077 175.2692 139 G 4.7834 9.5991 110.0829 44.6165 0.0000 174.0285 140 R 4.1761 9.3164 122.9249 58.0134 30.6349 176.7101 141 T 4.8569 7.8548 106.9366 59.2550 71.6407 174.0953 142 K 3.9017 8.1045 120.0110 57.6378 32.2494 177.1696 143 E 4.7888 7.5787 116.9384 54.3602 32.6836 175.1227 144 L 4.9225 8.1184 120.8063 51.9580 46.2007 177.1518 145 T 4.0550 8.3092 111.4821 61.9661 70.6145 175.5696 146 S 4.1642 8.5719 117.3612 61.2191 63.1497 176.2734 147 E 3.9521 8.1207 123.1538 59.2272 29.4657 178.5168 148 L 4.0598 7.8944 118.7179 57.6058 41.5824 179.5811 149 K 4.2922 8.0385 118.1217 59.6262 31.9112 179.2277 150 E 4.0547 8.2811 118.9043 59.3694 29.3098 178.8836 151 N 4.3438 8.2025 116.8414 56.7417 39.0223 176.6561 152 F 4.4198 8.5735 122.0127 61.4983 39.4631 177.1223 153 I 3.5899 8.3317 119.7648 64.4614 36.8275 178.6869 154 R 3.9593 8.3165 119.1918 59.1647 29.6689 178.9077 155 F 4.3012 8.3113 119.7067 61.3463 39.6672 177.0647 156 S 3.9367 7.9914 114.8383 61.5104 62.5543 176.9092 157 K 4.5814 8.2040 122.7243 58.7660 31.5893 179.1395 158 S 4.3244 8.0610 112.9738 59.8731 62.8691 174.6985 159 L 4.3229 7.7052 121.6764 54.5304 41.7673 177.1903 160 G 3.9625 8.5488 107.6205 45.0281 0.0000 173.6662 161 L 4.3718 7.6037 120.6049 52.7510 42.8850 174.9543 162 P 4.9451 0.0000 0.0000 61.9250 33.2566 177.3183 163 E 3.9752 8.8475 114.2390 59.2151 29.6414 177.1572 164 N 4.6469 8.2232 114.2408 54.1035 37.7826 175.3349 165 H 5.0746 8.4837 115.7934 54.8684 29.1391 173.3765 166 I 4.8881 7.8078 120.6219 59.6754 39.6043 175.2614 167 V 4.5349 9.3001 120.0723 59.4829 36.2382 174.9994 168 F 5.0146 8.5321 119.5176 53.7433 40.5789 173.4006 169 P 4.6137 0.0000 0.0000 62.8207 32.2876 176.2844 170 V 3.9483 8.7548 123.5563 61.7474 32.5634 173.6612 171 P 4.6237 0.0000 0.0000 63.2495 31.8057 175.4544 172 I 4.7248 8.1736 115.5594 59.5838 40.9538 174.2191 173 D 4.9441 7.7224 117.8636 54.4143 42.2592 177.9727 174 Q 3.7358 7.5854 117.6413 57.1171 29.1537 176.5643 175 C 4.3851 8.9138 125.2848 58.0068 38.8472 174.3995 176 I 3.9928 7.6203 108.4028 61.4732 38.1978 175.3653 177 D 4.6235 7.9578 127.0195 54.7413 40.9336 176.0947 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 *3 S 8.33 4.42 0.00 3.65 3.72 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 0.00 0.00 0.00 4 T 8.24 4.39 4.25 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 1.22 0.00 0.00 5 S 9.28 4.79 0.00 3.98 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 6 D 8.58 5.01 0.00 2.65 2.58 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 0.00 7 L 8.10 4.85 0.00 1.51 1.48 0.55 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.19 3.91 1.87 0.00 0.00 0.66 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 0.41 1.10 0.00 0.00 9 P 0.00 4.41 0.00 1.99 1.95 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 10 A 8.30 3.20 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 11 P 0.00 4.37 0.00 1.89 1.70 0.00 2.69 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 12 P 0.00 4.33 0.00 2.15 2.13 0.00 3.55 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 1.94 1.89 0.00 13 L 8.48 3.89 0.00 1.68 1.67 0.90 0.79 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 14 S 7.86 4.20 0.00 3.91 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 15 K 8.01 4.21 0.00 1.66 1.74 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.25 7.81 16 V 7.26 4.20 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 0.34 0.00 0.00 0.02 0.00 0.00 17 P 0.00 4.38 0.00 2.09 1.87 0.00 3.55 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 18 L 7.89 4.99 0.00 1.52 1.46 0.80 0.67 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 19 Q 8.94 4.08 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 20 Q 8.82 4.31 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 21 N 8.57 4.17 0.00 2.92 2.90 0.00 0.00 6.91 7.45 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 22 F 8.13 4.39 0.00 3.00 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 23 Q 8.54 4.28 0.00 1.26 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 24 D 8.76 4.85 0.00 3.14 3.33 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 0.00 25 N 8.07 4.45 0.00 2.94 3.13 0.00 0.00 6.30 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.50 4.20 0.00 1.15 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 27 F 7.85 4.96 0.00 3.18 3.45 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 28 Q 7.18 4.36 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.86 2.93 0.00 29 G 9.29 3.60 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 0.00 0.00 0.00 30 K 7.75 4.61 0.00 1.57 1.39 0.00 1.15 0.00 0.00 0.71 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.84 1.15 7.81 31 W 8.62 5.00 0.00 2.33 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 32 Y 9.38 4.71 0.00 3.00 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 33 V 8.12 4.51 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 0.63 0.00 0.00 0.42 0.00 0.00 34 V 9.01 4.09 2.15 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 0.95 0.00 0.00 1.02 0.00 0.00 35 G 7.62 3.78 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 0.00 0.00 0.00 36 L 8.77 5.29 0.00 1.72 1.46 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.29 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.85 3.74 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 0.00 0.00 0.00 39 N 7.88 4.34 0.00 2.77 2.68 0.00 0.00 6.75 7.22 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 40 A 7.76 4.68 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 41 I 7.32 4.31 2.10 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 1.18 1.33 0.90 0.00 0.00 42 L 8.22 5.00 0.00 1.51 1.46 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.46 4.08 0.00 1.85 1.72 0.00 3.21 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 44 E 8.42 4.67 0.00 1.81 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 0.00 2.20 1.85 0.00 45 D 8.64 4.55 0.00 2.69 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 *46 K 8.18 4.19 0.00 1.77 1.75 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 0.99 7.81 47 D 7.59 4.98 0.00 2.58 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 48 P 0.00 4.44 0.00 2.25 2.10 0.00 3.49 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 49 Q 8.61 4.14 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 50 K 8.59 4.74 0.00 1.78 1.85 0.00 1.88 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.50 7.81 51 M 8.71 4.36 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 52 Y 8.38 5.20 0.00 3.24 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 53 A 8.98 5.13 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 54 T 8.88 4.94 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 1.19 0.00 0.00 55 I 9.16 4.79 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 1.16 0.50 0.88 0.00 0.00 56 Y 9.09 4.66 0.00 2.71 2.39 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 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6.63 6.09 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 66 V 8.85 4.41 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.25 0.00 0.00 67 T 8.40 5.17 4.25 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 1.36 0.00 0.00 68 S 9.45 5.47 0.00 3.77 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 69 V 8.99 4.96 2.15 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 0.80 0.00 0.00 0.24 0.00 0.00 70 L 8.66 5.22 0.00 1.68 1.59 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.89 5.52 0.00 2.87 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 72 R 9.06 4.25 0.00 1.71 1.71 0.00 3.47 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 73 K 9.01 3.56 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 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82 T 8.59 5.08 4.36 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 1.35 0.00 0.00 83 F 9.16 5.76 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 5.01 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 1.12 0.00 0.00 1.10 0.00 0.00 85 P 0.00 4.18 0.00 1.94 1.97 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 86 G 8.29 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 87 S 8.81 4.38 0.00 3.95 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 88 Q 7.41 4.50 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.06 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 89 P 0.00 4.31 0.00 2.16 2.18 0.00 3.60 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 2.06 2.11 0.00 90 G 8.66 2.97 0.00 0.00 0.00 0.00 0.00 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2.77 0.00 0.00 0.00 0.00 1.37 1.04 7.81 99 S 8.20 4.31 0.00 3.81 3.98 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 0.00 100 Y 8.46 4.61 0.00 2.99 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 0.00 101 P 0.00 4.18 0.00 2.09 2.04 0.00 3.76 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 2.05 2.10 0.00 102 G 9.26 4.15 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 0.00 103 L 7.37 5.03 0.00 1.73 1.64 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.68 4.74 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 1.25 0.00 0.00 105 S 7.86 4.81 0.00 3.91 3.98 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 0.00 106 Y 8.40 5.07 0.00 2.93 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 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3.29 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.84 0.00 2.77 2.90 0.00 0.00 6.61 7.80 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 0.00 117 Q 8.29 4.67 0.00 1.70 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 118 H 8.97 5.78 0.00 3.30 3.55 0.00 5.46 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 0.00 119 A 8.54 4.64 0.70 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 0.00 0.00 120 M 8.99 5.10 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 121 V 8.54 4.58 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 0.43 0.00 0.00 0.74 0.00 0.00 122 F 8.72 5.40 0.00 3.19 2.94 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 0.00 123 F 8.81 4.94 0.00 2.61 2.50 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 0.00 124 K 8.47 4.97 0.00 1.60 1.53 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.52 7.81 125 K 9.42 5.10 0.00 2.05 1.71 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.58 7.81 126 V 8.96 4.88 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 1.04 0.00 0.00 0.95 0.00 0.00 127 S 9.02 5.02 0.00 4.04 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 0.00 128 Q 10.38 3.43 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 5.86 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 129 N 8.29 4.33 0.00 2.88 2.92 0.00 0.00 7.12 7.66 0.00 0.00 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 R 8.07 4.29 0.00 1.73 1.40 0.00 3.08 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 131 E 8.33 4.73 0.00 1.92 1.81 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 2.26 2.33 0.00 132 Y 8.97 5.22 0.00 2.98 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 0.00 133 F 9.24 5.46 0.00 2.79 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 0.00 134 K 8.83 4.91 0.00 1.86 1.75 0.00 1.08 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.43 7.81 135 I 9.39 5.47 2.18 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 1.53 0.99 1.44 0.00 0.00 136 T 9.22 4.85 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 1.21 0.00 0.00 137 L 8.15 4.56 0.00 0.27 0.87 0.87 0.70 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 0.00 138 Y 8.88 5.43 0.00 2.35 2.58 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 0.00 139 G 9.60 4.78 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 0.00 0.00 0.00 140 R 9.32 4.18 0.00 1.80 1.92 0.00 2.21 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.00 141 T 7.85 4.86 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 1.24 0.00 0.00 142 K 8.10 3.90 0.00 1.49 1.63 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 143 E 7.58 4.79 0.00 1.93 1.78 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 2.16 2.34 0.00 144 L 8.12 4.92 0.00 1.61 1.55 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.31 4.05 4.25 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 1.23 0.00 0.00 146 S 8.57 4.16 0.00 4.03 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 0.00 147 E 8.12 3.95 0.00 2.06 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 2.39 2.41 0.00 148 L 7.89 4.06 0.00 1.92 1.71 0.89 0.44 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 0.00 149 K 8.04 4.29 0.00 1.77 1.71 0.00 1.27 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.68 7.81 150 E 8.28 4.05 0.00 2.19 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 2.60 2.48 0.00 151 N 8.20 4.34 0.00 3.06 3.06 0.00 0.00 6.86 7.26 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 0.00 152 F 8.57 4.42 0.00 3.10 3.42 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 0.00 153 I 8.33 3.59 2.16 0.00 0.00 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 1.81 1.07 0.96 0.00 0.00 154 R 8.32 3.96 0.00 2.05 2.03 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 155 F 8.31 4.30 0.00 2.98 3.31 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 0.00 156 S 7.99 3.94 0.00 3.73 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 0.00 157 K 8.20 4.58 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.39 7.81 158 S 8.06 4.32 0.00 3.99 4.18 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 0.00 159 L 7.71 4.32 0.00 1.71 1.56 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.55 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 0.00 161 L 7.60 4.37 0.00 1.78 1.53 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.95 0.00 2.23 2.19 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 163 E 8.85 3.98 0.00 1.91 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 2.32 1.89 0.00 164 N 8.22 4.65 0.00 2.83 3.08 0.00 0.00 6.09 7.90 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 0.00 165 H 8.48 5.07 0.00 3.30 3.36 0.00 5.56 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.81 4.89 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.51 0.74 0.00 0.00 167 V 9.30 4.53 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 0.73 0.00 0.00 0.96 0.00 0.00 168 F 8.53 5.01 0.00 2.91 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 0.00 169 P 0.00 4.61 0.00 2.11 2.19 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 170 V 8.75 3.95 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 1.04 0.00 0.00 1.03 0.00 0.00 171 P 0.00 4.62 0.00 1.93 1.90 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 172 I 8.17 4.72 2.05 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 0.66 1.04 0.00 0.00 173 D 7.72 4.94 0.00 2.42 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 0.00 174 Q 7.59 3.74 0.00 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.00 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 175 C 8.91 4.39 0.00 3.13 3.22 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 0.00 176 I 7.62 3.99 2.11 0.00 0.00 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 1.66 0.71 1.03 0.00 0.00 177 D 7.96 4.62 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.