NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2384 8.2544 119.6995 56.1255 31.5528 173.9101 6 E 4.2829 8.3240 119.8950 54.2668 31.5589 174.0461 7 A 4.4660 7.4997 127.4762 50.7455 23.2834 175.2500 *9 T 4.6244 8.2359 104.9112 61.9831 70.7411 173.0412 10 V 4.9574 8.2648 119.6774 60.0340 34.8523 175.3744 11 G 4.1585 9.0540 109.0819 44.9719 0.0000 171.8488 12 V 5.2271 8.4847 118.2716 59.8552 35.0962 174.4989 13 D 4.8003 8.7846 121.1441 53.0612 45.1508 173.6515 14 L 5.0847 8.3728 123.9116 53.3954 45.6382 175.5545 15 V 4.5330 9.3965 125.0714 61.4255 35.2440 173.8900 16 H 4.6260 8.9676 127.6328 54.9699 29.8079 175.4593 17 I 3.7930 8.4087 130.1437 63.9018 36.6841 176.7173 18 P 4.2963 0.0000 0.0000 65.4975 31.2976 178.8932 19 G 3.6436 7.7260 104.0781 47.5965 0.0000 175.4282 20 F 4.1786 8.7569 123.2700 60.9516 39.4558 176.7410 21 A 3.8261 8.4845 121.1943 55.3617 18.1231 179.4613 22 E 3.8851 7.8154 115.7186 59.7981 29.3765 179.4074 23 Q 4.0078 7.7080 117.6423 58.3214 28.8298 177.9412 24 L 3.8776 7.3852 121.0505 57.7590 42.1485 178.5928 25 S 4.3183 7.7509 112.0368 58.4389 63.8815 174.5379 26 R 3.8294 7.2726 122.5242 56.2206 30.2236 174.0002 27 P 4.3178 0.0000 0.0000 63.3871 32.0602 176.3776 28 G 3.7879 8.6437 110.9251 46.6227 0.0000 173.8921 29 S 4.1963 7.8294 113.3863 57.5569 63.4342 174.1246 30 T 3.7212 8.5989 121.7350 65.5978 66.8705 174.4947 31 F 4.4749 7.6995 116.1875 58.2066 39.0963 176.3059 32 E 4.2045 8.1233 120.2599 59.5630 29.6287 179.0566 33 Q 4.0837 7.9564 116.0844 56.9701 29.0039 177.5240 34 V 3.7660 7.2504 117.8607 64.9261 31.7244 176.0759 35 F 5.2172 7.5296 116.9784 56.0067 40.8098 176.1927 36 S 4.5818 10.1357 120.4321 57.2014 65.2496 173.6626 37 P 4.2498 0.0000 0.0000 65.8416 31.0138 178.4585 38 L 3.9718 7.9934 118.2742 58.3873 41.9562 178.6555 39 E 4.0429 8.2872 118.2472 59.5840 29.2245 179.4970 40 R 3.9263 8.4469 117.3296 59.2733 30.3775 179.0648 41 R 4.0426 8.1760 115.7816 59.6145 29.2238 178.0460 42 H 3.9204 8.6065 119.4698 59.0158 29.5482 176.6835 43 A 3.9677 8.0327 120.6949 54.2568 18.2999 178.8845 44 Q 4.1203 8.2600 117.2904 57.6751 29.5855 177.0217 45 T 4.4251 7.2468 110.4300 60.3307 67.8942 173.2290 46 R 4.3695 7.6143 126.2599 57.8271 36.3205 174.7741 47 R 3.9518 7.5992 113.4800 56.1521 30.0216 176.9877 48 S 4.5074 8.5114 111.0753 57.7130 63.4192 173.7461 *60 G 4.0240 8.1016 108.1473 45.5594 0.0000 172.9658 61 S 4.7079 8.3005 114.1561 58.0768 69.3256 176.6927 62 R 4.0290 8.0164 117.4464 59.3424 29.3167 178.7179 63 T 3.9638 7.8842 116.0460 66.5831 68.5444 176.1874 64 E 3.9097 7.9817 120.1340 59.2151 29.6115 178.6588 65 H 4.0376 7.7794 117.1389 59.3915 30.0206 177.4622 66 L 3.7509 7.9955 120.4654 57.3743 41.3310 179.3515 67 A 2.6096 7.7238 121.0709 54.6188 18.2221 179.8854 68 G 3.5276 7.7570 103.8499 47.9437 0.0000 176.0654 69 R 4.0323 7.7562 120.2567 58.9234 30.1836 179.0215 70 W 4.5142 8.9698 128.2936 60.3424 30.6123 177.8394 71 A 4.1637 8.3116 122.0912 54.5728 17.8466 179.5162 72 A 4.0397 8.1123 119.2553 55.1800 18.4337 180.0613 73 K 4.1598 8.2988 117.3740 59.6222 32.0999 179.5174 74 E 3.8148 7.9449 118.7477 58.9432 29.3361 178.9555 75 A 3.9240 8.2868 121.3131 55.1967 18.4350 179.0227 76 F 4.0474 8.2596 118.9992 61.9585 39.3165 177.4328 77 I 3.5838 7.7265 118.4591 64.2694 36.8597 178.7030 78 K 3.8985 8.0419 119.0569 59.4554 31.7958 179.3579 79 A 4.1571 8.0375 121.0461 54.6071 17.9853 179.5856 80 W 4.0133 7.9610 126.6592 60.8986 31.0564 177.9905 81 S 4.0216 8.1531 115.2903 61.7660 62.2338 176.8912 82 Q 4.0848 8.1775 120.4290 58.9324 28.2857 178.6163 83 A 4.3550 8.0205 121.9974 53.1565 18.5462 177.6941 84 I 4.5223 7.3770 111.4899 59.9625 38.1562 174.7541 85 Y 4.0603 7.5859 121.2328 60.7760 38.7829 176.7235 86 G 3.8566 8.4518 114.0985 45.3263 0.0000 172.9123 87 K 4.6356 7.6841 117.9407 53.4738 35.3559 174.3731 88 P 4.4079 0.0000 0.0000 61.3201 32.0053 174.8510 89 P 4.0229 0.0000 0.0000 62.9219 31.8015 177.1043 90 V 3.5121 8.0047 122.9045 65.2935 31.6803 175.9834 91 I 4.3014 6.9999 120.5059 58.9114 38.6309 175.2093 92 E 3.8827 8.7231 124.8921 56.2784 30.1911 176.3538 93 P 4.2817 0.0000 0.0000 66.1432 31.4771 177.9426 94 D 4.6033 8.0994 114.7465 55.8989 40.9098 176.6534 95 L 4.5680 7.7392 118.1121 54.1226 42.4127 176.7856 96 V 3.7460 7.4258 119.8053 61.0644 32.1746 176.4332 97 N 4.6566 8.3133 122.6747 51.8850 37.5907 174.9716 98 F 3.8103 8.6576 123.2107 59.6126 39.4418 177.4909 99 A 4.3055 7.9240 122.6855 54.4393 18.4353 178.0198 100 E 4.2875 9.0203 115.4292 57.4178 30.0490 176.2635 101 I 4.7296 7.2343 121.3121 59.6309 36.0234 173.1827 102 E 4.4863 8.5884 125.8752 55.3558 31.3359 175.3192 103 V 4.4608 8.7186 121.4241 60.3492 32.4647 175.8209 104 L 4.5348 9.0443 130.5996 52.7659 42.7343 173.9379 105 P 5.4571 0.0000 0.0000 62.0925 32.6862 176.5995 106 D 4.6969 8.4199 121.1018 52.5045 41.4124 176.6034 107 R 3.5513 8.3139 118.0359 58.7239 29.9012 177.3697 108 W 4.5081 8.2919 114.9337 56.3036 29.4515 176.7104 109 G 3.9745 8.1245 106.5295 45.3072 0.0000 174.1189 110 R 4.4251 8.2738 118.9375 55.9222 31.5653 175.8703 111 V 5.0780 8.1935 112.2954 59.9369 35.7534 175.0984 112 A 4.7423 8.4180 123.7359 50.2791 23.0735 175.4390 113 L 4.4815 8.5159 121.2429 54.6354 42.5815 176.3795 114 Q 4.3678 8.9369 125.2746 54.2711 31.5282 174.1769 115 L 4.7788 8.3668 126.7086 53.9654 43.4915 175.9821 116 K 4.3838 8.6739 120.2119 55.6084 36.6174 176.4932 117 G 4.3012 8.7496 107.2786 45.4001 0.0000 175.4212 118 E 3.9032 9.0854 118.4641 59.1771 29.5658 179.1673 119 V 3.6940 8.3158 118.1391 66.0065 31.6192 177.4177 120 A 3.8537 7.8250 120.1409 55.5807 18.1783 179.6051 121 A 3.9740 8.2543 118.9604 55.1861 18.3749 180.0101 122 K 4.1413 8.5959 117.4576 59.0758 32.1614 179.4223 123 L 3.4650 8.1317 121.3050 57.9431 41.9222 178.6384 124 Q 4.2038 7.7982 120.7811 58.8350 28.7396 178.3876 125 E 4.0489 8.0225 118.4888 59.1575 29.5572 179.2126 126 S 4.4333 8.4756 114.2676 60.6768 63.5699 175.0611 127 I 4.4749 7.8649 111.8958 59.1091 39.0617 177.1331 128 G 3.9318 8.1827 108.9933 45.4709 0.0000 172.6245 129 D 4.6017 8.4444 122.2515 54.4850 41.6906 175.8026 130 V 4.8802 7.9255 114.2785 59.9064 36.2616 173.8863 131 E 4.7370 9.3982 123.5482 54.4287 32.5643 174.4146 132 L 5.3211 8.6973 125.6362 52.9103 44.5224 175.5380 133 A 4.9095 8.9980 124.4316 50.0604 22.2491 174.7705 134 L 5.2976 8.4170 121.0973 53.6163 45.9520 175.5202 135 S 4.7625 8.7326 116.6612 56.9997 66.2055 172.7312 136 I 5.1839 8.3433 125.9425 59.8451 40.4596 174.6509 137 S 4.8610 9.0758 119.0614 57.4733 66.2540 172.3695 138 H 5.4467 8.4609 119.2585 54.6635 31.4795 172.0550 139 D 4.6817 9.4691 118.9462 54.1745 45.5436 176.7370 140 G 3.8257 8.2997 113.9329 47.4397 0.0000 174.0510 141 D 4.8258 9.0218 124.5330 53.6706 41.3810 174.4420 142 Y 5.3273 8.1612 116.8490 56.1929 42.2989 174.2040 143 A 5.3545 9.2508 124.4512 50.5538 22.3858 175.3830 144 T 5.1973 9.3460 114.0040 60.3445 71.4255 172.6368 145 A 5.1666 9.0400 127.8133 50.1103 23.4376 174.5345 146 L 5.2307 8.7392 122.1259 53.3365 45.3653 174.8152 147 C 5.3680 9.6046 126.3856 57.4419 35.1592 172.0395 148 L 5.2544 8.7173 127.1663 53.1309 44.5651 174.5147 149 L 5.1539 8.9312 128.5498 53.5222 44.0724 175.4879 150 R 5.2158 8.8874 125.9304 55.0648 32.7845 174.9898 151 Y 5.0733 8.3807 119.3938 56.9399 41.9307 172.9007 152 Q 4.5735 8.8508 117.9577 54.0864 31.1670 176.2005 153 R 4.2120 8.3341 116.8508 56.2802 29.7153 175.9819 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 5 R 8.25 4.24 0.00 1.76 1.89 0.00 3.12 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 6 E 8.32 4.28 0.00 1.94 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 2.11 2.45 0.00 7 A 7.50 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 T 8.24 4.62 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 1.36 0.00 0.00 10 V 8.26 4.96 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 0.76 0.00 0.00 0.95 0.00 0.00 11 G 9.05 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 0.00 0.00 0.00 0.00 12 V 8.48 5.23 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 13 D 8.78 4.80 0.00 2.62 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 0.00 0.00 0.00 0.00 14 L 8.37 5.08 0.00 1.64 1.51 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.40 4.53 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 0.90 0.00 0.00 1.03 0.00 0.00 16 H 8.97 4.63 0.00 3.19 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.41 3.79 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.90 0.00 0.00 18 P 0.00 4.30 0.00 1.94 2.02 0.00 2.84 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 1.95 2.04 0.00 19 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.76 4.18 0.00 3.03 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 21 A 8.48 3.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.89 0.00 2.20 2.20 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 2.29 2.53 0.00 23 Q 7.71 4.01 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 24 L 7.39 3.88 0.00 0.70 1.43 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.75 4.32 0.00 4.02 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 26 R 7.27 3.83 0.00 1.94 2.04 0.00 3.22 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 27 P 0.00 4.32 0.00 2.06 1.95 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 28 G 8.64 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 0.00 0.00 0.00 29 S 7.83 4.20 0.00 4.07 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 30 T 8.60 3.72 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 0.72 0.00 0.00 31 F 7.70 4.47 0.00 2.88 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 32 E 8.12 4.20 0.00 2.22 2.23 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 2.57 2.30 0.00 33 Q 7.96 4.08 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 34 V 7.25 3.77 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 0.12 0.00 0.00 0.67 0.00 0.00 35 F 7.53 5.22 0.00 3.23 3.08 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 36 S 10.14 4.58 0.00 4.00 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 0.00 37 P 0.00 4.25 0.00 2.21 2.19 0.00 3.66 0.00 0.00 3.76 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 38 L 7.99 3.97 0.00 1.73 1.87 0.92 0.98 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 39 E 8.29 4.04 0.00 2.38 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 2.45 2.48 0.00 40 R 8.45 3.93 0.00 1.91 2.03 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 41 R 8.18 4.04 0.00 2.05 2.18 0.00 2.80 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 42 H 8.61 3.92 0.00 3.34 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.03 3.97 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 44 Q 8.26 4.12 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.16 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 45 T 7.25 4.43 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 1.13 0.00 0.00 46 R 7.61 4.37 0.00 1.69 1.80 0.00 3.24 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 47 R 7.60 3.95 0.00 1.85 1.89 0.00 3.42 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 48 S 8.51 4.51 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 *60 G 8.10 4.02 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 0.00 61 S 8.30 4.71 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.02 4.03 0.00 2.15 2.19 0.00 3.11 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 63 T 7.88 3.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 64 E 7.98 3.91 0.00 1.85 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 2.34 2.42 0.00 65 H 7.78 4.04 0.00 3.23 3.42 0.00 5.78 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 66 L 8.00 3.75 0.00 1.86 1.75 0.48 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.72 2.61 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.76 4.03 0.00 2.23 2.37 0.00 3.10 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 70 W 8.97 4.51 0.00 3.51 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 71 A 8.31 4.16 1.37 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 0.00 0.00 0.00 72 A 8.11 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.30 4.16 0.00 1.89 2.25 0.00 2.07 0.00 0.00 2.15 0.00 0.00 3.37 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.85 1.94 7.81 74 E 7.94 3.81 0.00 1.89 1.72 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 1.47 1.47 0.00 75 A 8.29 3.92 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 76 F 8.26 4.05 0.00 3.17 3.44 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 0.00 0.00 0.00 0.00 77 I 7.73 3.58 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.04 0.89 0.00 0.00 78 K 8.04 3.90 0.00 1.97 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 A 8.04 4.16 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 80 W 7.96 4.01 0.00 2.55 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 81 S 8.15 4.02 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 82 Q 8.18 4.08 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 83 A 8.02 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.38 4.52 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.95 0.00 0.00 85 Y 7.59 4.06 0.00 3.11 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 86 G 8.45 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.68 4.64 0.00 1.82 1.65 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 88 P 0.00 4.41 0.00 1.97 1.91 0.00 3.64 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 1.98 2.05 0.00 89 P 0.00 4.02 0.00 2.03 1.81 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 90 V 8.00 3.51 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 0.84 0.00 0.00 0.69 0.00 0.00 91 I 7.00 4.30 1.76 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.88 0.00 0.00 92 E 8.72 3.88 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 93 P 0.00 4.28 0.00 2.21 2.22 0.00 3.56 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 2.12 2.15 0.00 94 D 8.10 4.60 0.00 2.67 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 95 L 7.74 4.57 0.00 1.81 1.66 0.92 0.72 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 96 V 7.43 3.75 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.30 0.00 0.00 97 N 8.31 4.66 0.00 2.74 2.93 0.00 0.00 7.21 7.71 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 98 F 8.66 3.81 0.00 3.27 3.40 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 99 A 7.92 4.31 1.45 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 0.00 0.00 100 E 9.02 4.29 0.00 2.10 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 0.00 2.31 2.28 0.00 101 I 7.23 4.73 2.17 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 0.92 0.52 0.84 0.00 0.00 102 E 8.59 4.49 0.00 2.03 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 2.29 2.33 0.00 103 V 8.72 4.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 104 L 9.04 4.53 0.00 1.70 1.55 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.46 0.00 2.00 1.95 0.00 3.35 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 106 D 8.42 4.70 0.00 3.05 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 0.00 107 R 8.31 3.55 0.00 1.13 0.66 0.00 2.84 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.21 0.00 108 W 8.29 4.51 0.00 3.62 3.19 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 0.00 109 G 8.12 3.97 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 0.00 0.00 0.00 110 R 8.27 4.43 0.00 1.83 1.91 0.00 3.31 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 111 V 8.19 5.08 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 8.42 4.74 1.17 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 0.00 0.00 113 L 8.52 4.48 0.00 1.50 1.44 1.01 0.77 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 0.00 114 Q 8.94 4.37 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 115 L 8.37 4.78 0.00 1.40 1.40 0.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.67 4.38 0.00 1.76 1.84 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.39 7.81 117 G 8.75 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 0.00 0.00 0.00 0.00 118 E 9.09 3.90 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 119 V 8.32 3.69 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 1.05 0.00 0.00 1.00 0.00 0.00 120 A 7.82 3.85 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 0.00 121 A 8.25 3.97 1.33 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 0.00 0.00 122 K 8.60 4.14 0.00 2.15 2.21 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.69 7.81 123 L 8.13 3.47 0.00 0.90 1.47 -0.26 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.80 4.20 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 125 E 8.02 4.05 0.00 2.07 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 2.37 2.54 0.00 126 S 8.48 4.43 0.00 4.17 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 0.00 127 I 7.86 4.47 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.83 0.00 0.00 128 G 8.18 3.93 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 0.00 0.00 0.00 129 D 8.44 4.60 0.00 2.71 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 0.00 130 V 7.93 4.88 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 0.64 0.00 0.00 0.90 0.00 0.00 131 E 9.40 4.74 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 132 L 8.70 5.32 0.00 1.55 1.59 0.88 0.93 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 0.00 133 A 9.00 4.91 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 0.00 134 L 8.42 5.30 0.00 1.63 1.52 1.02 0.86 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 0.00 135 S 8.73 4.76 0.00 3.95 3.63 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 0.00 136 I 8.34 5.18 1.89 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 1.25 0.82 0.98 0.00 0.00 137 S 9.08 4.86 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.46 5.45 0.00 3.25 3.21 0.00 5.80 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 0.00 139 D 9.47 4.68 0.00 2.70 2.52 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 0.00 140 G 8.30 3.83 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 0.00 0.00 0.00 141 D 9.02 4.83 0.00 2.72 2.37 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 0.00 142 Y 8.16 5.33 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.25 5.35 1.17 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 0.00 0.00 144 T 9.35 5.20 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 1.27 0.00 0.00 145 A 9.04 5.17 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 0.00 146 L 8.74 5.23 0.00 1.69 1.50 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 147 C 9.60 5.37 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.72 5.25 0.00 1.82 1.50 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.93 5.15 0.00 1.70 1.60 0.82 0.89 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 0.00 150 R 8.89 5.22 0.00 1.83 1.81 0.00 3.47 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 151 Y 8.38 5.07 0.00 3.10 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 Q 8.85 4.57 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 153 R 8.33 4.21 0.00 1.84 1.71 0.00 2.96 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.