NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 N 4.7915 8.2676 117.7897 52.1178 39.9097 174.6813 4 S 4.1139 8.3791 115.3140 61.2433 63.0307 174.9647 5 R 4.0284 8.1891 121.4734 58.9775 30.3316 179.3844 6 Y 4.4852 7.9297 120.4370 60.4528 38.9413 177.7105 7 T 3.6720 8.0306 116.7027 66.9798 68.5721 175.9642 8 H 4.2176 8.4830 120.1151 59.1438 29.8350 176.9475 9 F 4.0689 8.4593 122.4959 61.3365 39.2193 177.1276 10 L 3.9810 7.9747 118.4678 58.1807 41.1928 179.6701 11 T 3.8919 7.6885 114.4566 66.6696 68.4597 176.3235 12 Q 4.0482 7.8553 118.5038 57.8183 29.1923 176.2502 13 H 4.7147 7.9004 113.1581 53.7187 32.0888 172.1049 14 Y 5.2795 8.1873 120.3865 55.7496 41.4048 174.3762 15 D 4.2354 8.7489 125.3999 52.4720 44.0036 175.6307 16 A 3.8664 8.4014 132.1084 55.3938 18.6393 177.7848 17 K 4.8069 7.2916 117.1561 52.1449 32.8402 175.6832 18 P 4.3330 0.0000 0.0000 62.1504 31.7331 176.1128 19 Q 4.0037 7.6339 117.9504 57.3593 29.3732 176.7045 20 G 3.8620 7.5823 110.0567 45.6536 0.0000 172.9386 21 R 4.2517 8.0054 117.0343 55.6565 31.2444 173.6875 22 D 5.2214 7.6715 118.1183 51.3362 42.9425 176.0980 23 D 4.4474 8.7398 117.3632 58.0082 40.6675 178.9769 24 R 3.9682 8.0248 118.0701 59.2299 30.0115 178.2218 25 Y 4.0725 8.3376 119.3438 60.9691 38.8258 177.5491 26 C 3.8315 8.1764 117.2882 60.0503 38.5648 176.0402 27 E 4.0239 8.2878 120.0552 59.3268 29.0233 179.4923 28 S 4.0593 8.0043 113.0919 61.5142 62.5872 176.1406 29 I 3.4413 7.4707 121.6022 63.9824 37.4846 177.6880 30 M 4.0067 7.7923 119.7906 58.1422 31.7905 178.7438 31 R 3.8651 7.5628 117.4216 59.5935 30.1264 178.7961 32 R 3.9518 7.7836 116.4790 58.8741 30.1042 178.3034 33 R 4.4155 7.8969 115.0640 55.4297 30.3961 176.5954 34 G 3.8596 7.8618 106.5388 46.9208 0.0000 174.2487 35 L 4.6911 8.1492 117.4540 54.4228 42.0197 177.8476 36 T 4.5036 7.9958 105.7752 61.3634 69.2269 174.4074 37 S 4.5822 7.6865 116.7114 56.1800 62.2993 171.1320 38 P 4.1290 0.0000 0.0000 60.6416 33.2928 176.7468 39 C 4.2923 8.4336 118.1288 57.2924 40.3177 174.3748 40 K 4.1358 8.5955 126.2838 56.5504 32.1972 176.4476 41 D 4.5873 8.8957 126.9234 57.1003 42.3743 175.9021 42 I 5.2621 7.5172 116.5187 59.8164 41.3966 174.3905 43 N 4.9807 9.0546 123.9821 52.4725 42.3854 172.6049 44 D 5.2255 9.4217 126.3105 52.9513 43.4194 175.2478 45 F 5.1213 9.1446 121.7041 55.7901 41.8188 174.6978 46 I 4.6248 8.9829 125.0995 60.7598 38.7609 174.8087 47 H 5.7125 8.2995 122.4605 53.5934 31.8705 172.8358 48 G 4.0742 8.6397 103.7844 44.5976 0.0000 172.6743 49 N 4.9474 8.9247 116.7735 52.0229 40.1953 176.0294 50 K 3.6702 8.8979 123.4150 59.5633 32.2316 179.1881 51 R 3.9895 8.0554 115.9187 59.5028 29.0252 178.9438 52 S 4.2868 7.8475 115.0268 61.2666 63.0771 176.4789 53 I 3.8490 7.7989 122.1924 64.3266 37.0534 178.1949 54 K 3.7867 8.0963 119.1066 59.5195 31.9441 178.9719 55 A 4.1288 8.1268 120.0464 54.3266 18.0944 179.4461 56 I 3.8572 7.7126 118.6917 64.1610 36.9097 176.8667 57 C 4.6177 8.0487 115.1022 57.0066 39.1803 172.4287 58 E 4.7685 7.5848 120.0758 53.8551 32.8719 176.2717 59 N 4.3567 8.6287 117.6301 56.3435 39.3065 175.6405 60 K 3.9933 8.2788 118.7605 59.3640 32.2315 176.6074 61 N 5.1281 8.0869 114.5027 52.8420 40.8345 173.3682 62 G 4.7112 7.9456 101.4371 44.4024 0.0000 172.4877 63 N 5.3071 9.0402 117.4141 50.1853 42.9405 172.4933 64 P 4.6069 0.0000 0.0000 63.5533 32.3664 175.4323 65 H 4.6411 9.0141 125.0635 56.4710 33.1222 174.1570 66 R 3.3834 8.5877 126.5335 57.9752 27.7759 173.5793 67 E 4.3053 8.7167 113.9607 57.4453 29.6372 172.4455 68 N 4.3589 8.8932 120.7486 52.4073 35.9036 173.5792 69 L 4.9190 7.4881 118.4578 53.6340 45.3410 175.2513 70 R 5.0741 9.1166 117.9373 54.6679 34.4946 174.5085 71 I 4.9120 8.5581 122.9926 58.9684 40.6089 175.1148 72 S 4.7678 8.6004 123.4403 58.6577 63.3308 174.4683 73 K 4.3071 8.8724 122.0777 59.1828 32.4080 178.2209 74 S 4.3773 8.2007 113.0101 57.7455 64.0972 173.4220 75 S 4.6410 7.9351 116.9143 57.4003 64.3583 173.6312 76 F 4.8191 8.4962 120.8885 55.4075 42.9056 174.6720 77 Q 4.9572 8.8703 120.7574 56.1964 29.9219 175.3519 78 V 4.8820 8.9313 123.4090 61.4901 35.4712 173.8676 79 T 5.1294 9.1525 124.6857 62.3064 70.9759 173.2793 80 T 5.0140 8.9688 124.0272 62.4253 70.8621 173.0798 81 C 5.4111 9.2183 124.0638 55.1704 43.2006 172.9152 82 K 5.2812 9.0211 123.7027 54.1167 34.6210 175.6337 83 L 3.9289 9.1463 128.4184 55.3373 42.5930 175.5364 84 H 4.7721 8.9084 125.5980 55.4646 32.6890 174.0912 85 G 3.8077 8.7067 110.1480 45.3655 0.0000 173.1986 86 G 3.9402 8.2596 104.6399 44.9940 0.0000 173.1241 87 S 4.7730 7.6258 113.9830 55.7829 64.4606 172.2013 88 P 4.2109 0.0000 0.0000 63.1950 31.5366 175.8607 89 W 5.0947 7.5432 117.9586 53.6425 31.9963 173.8210 90 P 4.5714 0.0000 0.0000 62.0192 31.4345 174.6981 91 P 4.4219 0.0000 0.0000 62.7591 32.1004 176.5507 92 C 4.5128 8.6567 118.8900 55.8506 40.8461 172.8942 93 Q 4.8395 8.1726 124.2769 54.7076 30.2385 174.5535 94 Y 5.1574 8.9551 120.7603 56.2342 41.7545 175.0620 95 R 4.9412 9.0770 121.0301 54.5781 32.6959 175.0355 96 A 5.2122 9.1781 125.9092 50.8789 21.1565 176.4496 97 T 4.5091 8.8992 117.3062 61.8676 71.8287 173.3555 98 A 4.6487 8.9547 129.6284 50.8610 18.9856 175.9140 99 G 4.2860 8.9828 110.2805 45.5227 0.0000 169.6761 100 F 5.4208 8.3888 122.1742 57.6438 41.8732 173.7912 101 R 4.3814 8.2936 121.5473 55.3095 33.0515 173.8049 102 N 4.9002 8.7376 116.8312 53.4718 39.5067 175.1943 103 V 4.5026 8.7658 114.4261 59.5561 35.5440 174.7648 104 V 4.8710 8.1892 122.6864 61.3447 34.0775 174.7708 105 V 5.0414 8.8060 119.7406 59.6113 36.4039 174.0234 106 A 5.0165 8.7042 123.3049 50.6251 21.3465 175.3248 107 C 5.3435 8.6383 117.6734 55.1678 39.8649 173.3782 108 E 4.5461 8.7767 122.0056 55.8938 32.1696 175.1627 109 N 3.8724 9.9644 123.3193 54.3942 36.3030 175.2192 110 G 3.8795 8.5073 103.4066 45.3419 0.0000 173.8873 111 L 4.4481 7.4389 119.5653 51.4055 44.5016 174.2555 112 P 4.4599 0.0000 0.0000 63.0058 31.6424 176.7715 113 V 4.5946 8.2051 113.5994 61.0383 33.8282 175.0969 114 H 4.9285 7.8572 119.9552 54.9595 33.3430 171.4704 115 L 4.8824 8.4246 127.5683 53.4107 43.5989 174.7812 116 D 4.4277 8.6620 129.3753 53.9671 41.9348 176.8633 *117 Q 4.1503 8.6042 123.4427 55.2932 28.8588 171.2925 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 N 8.27 4.79 0.00 2.62 2.75 0.00 0.00 6.52 6.76 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 4 S 8.38 4.11 0.00 4.14 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 5 R 8.19 4.03 0.00 1.94 2.10 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 6 Y 7.93 4.49 0.00 2.98 3.15 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 7 T 8.03 3.67 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 H 8.48 4.22 0.00 3.37 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.46 4.07 0.00 3.30 3.23 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 0.00 10 L 7.97 3.98 0.00 1.78 1.72 0.40 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.69 3.89 4.35 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 1.21 0.00 0.00 12 Q 7.86 4.05 0.00 1.62 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 13 H 7.90 4.71 0.00 2.17 2.65 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.19 5.28 0.00 2.83 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 15 D 8.75 4.24 0.00 2.68 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 16 A 8.40 3.87 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 17 K 7.29 4.81 0.00 1.72 1.55 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.98 7.81 18 P 0.00 4.33 0.00 1.62 1.43 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.00 19 Q 7.63 4.00 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 20 G 7.58 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 21 R 8.01 4.25 0.00 1.63 1.77 0.00 2.94 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.20 0.00 22 D 7.67 5.22 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 23 D 8.74 4.45 0.00 2.75 2.91 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 24 R 8.02 3.97 0.00 2.12 2.01 0.00 3.25 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 0.00 25 Y 8.34 4.07 0.00 3.01 3.21 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 26 C 8.18 3.83 0.00 3.25 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 27 E 8.29 4.02 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 28 S 8.00 4.06 0.00 3.85 3.84 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 29 I 7.47 3.44 0.99 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.76 -0.36 0.00 0.00 30 M 7.79 4.01 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.38 0.00 31 R 7.56 3.87 0.00 1.93 2.05 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 32 R 7.78 3.95 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 33 R 7.90 4.42 0.00 1.83 2.08 0.00 3.52 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 34 G 7.86 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 35 L 8.15 4.69 0.00 1.78 1.60 0.81 0.35 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 36 T 8.00 4.50 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 1.32 0.00 0.00 37 S 7.69 4.58 0.00 3.91 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 38 P 0.00 4.13 0.00 1.40 0.49 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 39 C 8.43 4.29 0.00 2.67 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.60 4.14 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.36 7.81 41 D 8.90 4.59 0.00 2.75 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 42 I 7.52 5.26 1.87 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 1.27 0.74 0.91 0.00 0.00 43 N 9.05 4.98 0.00 2.64 2.33 0.00 0.00 6.92 7.78 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 44 D 9.42 5.23 0.00 2.42 2.44 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 45 F 9.14 5.12 0.00 2.99 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 46 I 8.98 4.62 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.74 0.00 0.00 47 H 8.30 5.71 0.00 3.13 3.34 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.64 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 0.00 0.00 0.00 49 N 8.92 4.95 0.00 2.87 2.83 0.00 0.00 6.49 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 50 K 8.90 3.67 0.00 1.73 1.79 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 0.86 7.81 51 R 8.06 3.99 0.00 2.10 2.21 0.00 3.05 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 52 S 7.85 4.29 0.00 4.25 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 53 I 7.80 3.85 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.94 0.00 0.00 54 K 8.10 3.79 0.00 1.93 1.77 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.59 7.81 55 A 8.13 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.71 3.86 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.04 0.90 0.00 0.00 57 C 8.05 4.62 0.00 3.05 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 58 E 7.58 4.77 0.00 2.10 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 2.18 2.16 0.00 59 N 8.63 4.36 0.00 2.93 2.84 0.00 0.00 6.86 6.68 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 60 K 8.28 3.99 0.00 2.01 1.85 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.02 7.81 61 N 8.09 5.13 0.00 2.86 2.72 0.00 0.00 6.80 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 62 G 7.95 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 9.04 5.31 0.00 2.64 2.68 0.00 0.00 7.32 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.61 0.00 1.93 1.99 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 65 H 9.01 4.64 0.00 3.22 3.09 0.00 5.93 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.59 3.38 0.00 1.99 1.66 0.00 3.31 0.00 0.00 3.26 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 67 E 8.72 4.31 0.00 1.98 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 2.19 1.86 0.00 68 N 8.89 4.36 0.00 3.25 3.04 0.00 0.00 6.16 7.79 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 69 L 7.49 4.92 0.00 1.82 1.65 0.98 1.34 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 70 R 9.12 5.07 0.00 1.60 1.83 0.00 3.23 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 71 I 8.56 4.91 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.79 0.99 0.00 0.00 72 S 8.60 4.77 0.00 4.19 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 73 K 8.87 4.31 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.40 7.81 74 S 8.20 4.38 0.00 3.74 3.73 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 75 S 7.94 4.64 0.00 3.13 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 76 F 8.50 4.82 0.00 2.91 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 77 Q 8.87 4.96 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 78 V 8.93 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 1.13 0.00 0.00 1.03 0.00 0.00 79 T 9.15 5.13 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 1.44 0.00 0.00 80 T 8.97 5.01 4.29 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 1.26 0.00 0.00 81 C 9.22 5.41 0.00 2.70 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 82 K 9.02 5.28 0.00 1.75 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 83 L 9.15 3.93 0.00 1.71 1.48 0.39 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.91 4.77 0.00 3.06 3.06 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.71 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 0.00 0.00 0.00 86 G 8.26 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.63 4.77 0.00 3.85 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 88 P 0.00 4.21 0.00 1.28 1.68 0.00 3.69 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 2.10 2.01 0.00 89 W 7.54 5.09 0.00 3.32 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 90 P 0.00 4.57 0.00 2.13 2.07 0.00 4.05 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 91 P 0.00 4.42 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 92 C 8.66 4.51 0.00 3.14 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 93 Q 8.17 4.84 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.82 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 94 Y 8.96 5.16 0.00 2.87 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 95 R 9.08 4.94 0.00 1.76 1.85 0.00 3.21 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 96 A 9.18 5.21 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 97 T 8.90 4.51 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 98 A 8.95 4.65 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 99 G 8.98 4.29 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 0.00 100 F 8.39 5.42 0.00 2.97 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 0.00 101 R 8.29 4.38 0.00 1.85 1.97 0.00 2.82 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 102 N 8.74 4.90 0.00 2.59 2.80 0.00 0.00 6.71 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 0.00 103 V 8.77 4.50 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 0.71 0.00 0.00 0.67 0.00 0.00 104 V 8.19 4.87 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 0.99 0.00 0.00 0.78 0.00 0.00 105 V 8.81 5.04 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 0.62 0.00 0.00 0.84 0.00 0.00 106 A 8.70 5.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.64 5.34 0.00 2.77 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 0.00 108 E 8.78 4.55 0.00 1.88 1.69 0.00 0.00 0.00 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 2.24 0.00 109 N 9.96 3.87 0.00 2.81 2.80 0.00 0.00 7.20 7.65 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 0.00 110 G 8.51 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 0.00 111 L 7.44 4.45 0.00 1.44 0.90 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.46 0.00 0.65 1.69 0.00 3.24 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 113 V 8.21 4.59 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 0.71 0.00 0.00 0.98 0.00 0.00 114 H 7.86 4.93 0.00 3.26 3.11 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.42 4.88 0.00 1.51 1.15 0.87 0.80 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 0.00 116 D 8.66 4.43 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.15 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.