NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4900 8.2893 120.3256 55.6295 33.3889 174.2037 2 R 4.3446 7.9053 116.3138 54.0202 32.0356 172.7384 3 L 4.1844 9.1013 122.4852 54.8540 43.3588 177.4849 4 L 4.4099 8.5368 126.8130 56.8762 42.5083 176.3694 5 H 5.6921 7.4435 109.9972 56.2488 31.5343 172.1896 6 T 4.5770 8.3434 115.0169 61.9580 71.0999 172.8856 7 M 4.7836 8.5716 126.4136 53.9891 33.8539 174.9229 8 L 4.5074 8.4229 125.4641 52.7870 45.4825 175.7394 9 R 4.6307 8.0266 122.3175 55.4492 30.9638 176.3797 10 V 4.7659 9.0103 116.2865 59.6895 34.5427 176.3253 11 G 3.9614 10.0745 110.8280 46.0725 0.0000 173.3881 12 D 4.2028 7.9232 119.5094 51.9315 43.2334 174.6765 13 L 3.9550 8.0788 129.0578 58.5449 42.1258 178.3758 14 Q 3.9695 7.9070 118.5628 59.2405 29.0974 178.0522 15 R 3.9464 8.3945 119.6360 59.6304 30.0401 178.7483 16 S 4.3086 8.2100 114.7847 61.6790 62.9051 176.4770 17 I 3.8241 8.3657 122.8546 64.6983 36.9242 177.9916 18 D 4.4185 8.7558 119.7880 57.4209 40.6728 178.7513 19 F 4.0085 8.2397 120.7033 61.7111 39.3935 176.8082 20 Y 3.9392 8.3555 116.5454 61.2707 37.6046 178.2417 21 T 4.8774 8.1216 112.3330 63.7691 69.0764 177.2322 22 K 3.9473 8.2269 122.7511 58.1424 32.6345 178.8185 23 V 3.7252 7.5274 116.8959 64.7669 31.7726 176.5228 24 L 4.1615 7.4262 116.6401 54.5094 41.9165 177.6453 25 G 3.9627 8.0664 106.9141 45.8577 0.0000 173.5052 26 M 4.2715 8.1642 120.5341 54.5335 34.0618 175.1085 27 K 4.9264 8.7709 118.8951 54.4549 35.9240 175.9772 28 L 4.3017 8.4460 125.3358 54.9207 41.6727 176.2750 29 L 4.4126 8.9789 128.6127 56.9055 42.4733 177.6196 30 R 4.6242 7.4574 113.0976 56.1862 31.7485 173.3972 31 T 5.5094 8.4860 109.5858 60.7760 72.5626 172.5580 32 S 4.7976 8.8745 114.6714 57.7067 66.5696 173.3874 33 E 5.1053 8.7841 119.5422 54.8480 33.3927 175.5969 34 N 4.5535 8.7847 121.1068 50.9032 39.7823 172.9036 35 P 4.2852 0.0000 0.0000 65.1227 32.0777 177.7618 36 E 3.8120 8.2422 117.6955 59.1972 29.3899 177.0080 37 Y 4.2280 8.4766 112.6636 56.8727 39.1771 175.4058 38 K 2.0000 7.2744 119.5586 55.9049 29.6074 173.5452 39 Y 4.8790 5.3700 116.0825 55.8075 42.1139 175.5466 40 S 5.3786 9.9153 116.2453 56.9535 67.1901 173.1908 41 L 5.4226 9.4472 122.9670 53.0973 45.3093 175.4143 42 A 5.2026 8.6144 122.5227 50.5146 23.0647 174.9410 43 F 5.0217 9.4902 121.2476 55.7429 41.6097 175.1936 44 V 4.8558 8.3295 117.0700 59.8716 35.5756 175.3199 45 G 3.8907 8.1473 108.7069 46.8114 0.0000 173.0972 46 Y 4.7044 8.7253 115.8960 58.3892 38.5701 175.3361 47 G 4.2409 7.3402 106.2952 44.5982 0.0000 170.9372 48 P 4.4073 0.0000 0.0000 62.2236 31.6521 177.8414 49 E 4.1684 8.8966 121.4601 59.7330 29.6414 179.6612 50 T 3.7772 7.9576 107.8214 63.8423 68.8765 174.6186 51 E 4.5087 7.9885 119.8797 56.4616 30.9193 175.1144 52 E 4.6657 7.5547 115.0850 54.4236 32.8510 173.9082 53 A 4.4260 8.3349 121.1502 52.5029 19.4697 177.2094 54 V 4.5698 8.8064 113.4192 59.9894 36.6322 173.9187 55 I 4.7481 8.5615 121.3588 59.9120 39.9200 174.6821 56 E 4.2017 8.8685 127.9006 54.2622 31.6130 174.2792 57 L 4.8295 8.8044 128.2757 53.4715 44.0491 175.5978 58 T 4.9919 8.6082 120.4812 61.7760 71.6759 172.4098 59 Y 5.2355 9.2409 127.7616 55.9599 41.7053 173.7841 60 N 4.9216 7.8075 121.5733 51.1477 40.3877 174.8032 61 W 4.5366 8.2671 124.4321 58.9760 29.4400 176.8268 62 G 3.9245 9.4545 112.3824 45.1159 0.0000 172.9589 63 V 4.0344 7.8013 120.9802 61.3831 31.4050 175.2506 64 D 5.2519 8.3616 125.2377 52.0430 40.0952 175.4664 65 K 4.5247 7.1796 119.2992 55.6056 35.0564 173.9058 66 Y 4.6786 8.1958 121.1577 56.3447 41.9399 174.4176 67 E 4.5162 8.6261 120.2094 54.6213 30.1104 176.0064 68 L 3.8841 8.6467 127.1540 56.5112 42.2895 178.0964 69 G 3.9506 8.1251 105.6378 45.0715 0.0000 172.4654 70 T 4.5022 8.2492 105.5768 61.2121 69.8914 175.0568 71 A 4.1047 8.1285 125.2622 55.3228 18.9264 177.4970 72 Y 4.1539 8.0765 115.7033 57.9448 38.6409 175.0430 73 G 3.3978 7.0556 117.5547 45.1101 0.0000 174.9139 74 H 4.4024 6.0824 115.9293 54.6853 31.8911 173.0147 75 I 4.7720 7.9959 117.8556 59.6279 40.1740 174.8323 76 A 5.2345 8.7792 127.8273 50.2942 21.1033 175.8177 77 L 5.0416 8.9760 121.1626 52.7311 46.1157 176.2991 78 S 4.8830 8.5895 116.2005 58.2607 64.4138 173.7746 79 V 4.3849 8.4226 114.5478 59.7485 34.9395 176.6983 80 D 4.1604 8.8878 124.6658 56.9400 41.0946 176.8577 81 N 4.8282 7.7628 118.4563 50.6504 40.8180 174.1437 82 A 3.9076 9.4578 130.5862 55.1183 18.7026 178.6314 83 A 3.9193 8.0000 118.4489 55.4818 18.4449 179.1682 84 E 3.8386 8.5910 117.2669 59.4911 29.6171 178.8342 85 A 3.9787 8.4321 121.0860 55.3843 18.3723 179.3288 86 C 4.0877 8.3901 115.4521 62.9487 28.1514 176.2138 87 E 3.9281 8.0863 119.8265 59.3766 28.9006 179.1762 88 K 3.8622 7.8788 118.0958 59.6755 32.3881 178.5370 89 I 3.9081 8.1125 120.2176 64.3078 36.8541 177.9937 90 R 3.9604 8.2447 118.6758 59.3585 29.9180 178.2994 91 Q 4.7318 7.9615 115.2169 55.0003 31.2377 176.2990 92 N 4.9237 8.3987 114.1877 52.2803 39.9949 175.9495 93 G 3.9096 8.4148 104.6206 45.5124 0.0000 172.4644 94 G 4.2388 7.8237 105.6532 44.4417 0.0000 172.4010 95 N 5.1399 8.3360 115.0633 51.2549 41.9361 174.4569 96 V 4.4727 8.4983 124.0014 62.0011 31.4263 175.3475 97 T 4.2573 8.6955 119.1299 63.4268 70.2035 174.9406 98 R 4.4615 8.4429 123.1473 54.7569 32.5438 174.0867 99 E 4.4332 9.0292 125.8245 56.4219 30.4015 177.1986 100 A 4.3132 8.7695 124.3552 52.4423 19.0394 177.1196 101 G 4.0196 8.7522 108.0119 44.8384 0.0000 171.0103 102 P 4.9678 0.0000 0.0000 62.6102 32.0889 177.0569 103 V 3.8956 8.8851 123.4414 61.0929 32.9782 175.5705 104 K 4.1201 8.5358 123.7254 58.1180 32.2128 177.1105 105 G 4.0082 9.6129 114.2564 45.5766 0.0000 172.9587 106 G 4.0837 7.9509 107.8439 44.5812 0.0000 171.8863 107 T 4.5660 8.3932 106.2077 62.1028 71.4238 175.0435 108 T 3.8872 8.0235 119.3008 64.0621 69.5965 173.4963 109 V 4.3402 8.4638 127.0116 62.6306 33.0540 174.7716 110 I 5.3159 8.8094 120.1639 59.8150 41.9015 173.3762 111 A 5.0640 8.3688 122.2365 51.2647 23.2375 175.2202 112 F 5.2079 9.2081 117.2959 56.0498 43.2523 175.0075 113 V 5.0132 9.0112 114.8492 60.2404 37.0811 173.5146 114 E 5.3729 8.9546 120.1091 54.7678 33.3108 176.7093 115 D 3.5651 8.8952 123.6318 51.3729 40.9181 175.3456 116 P 4.0213 0.0000 0.0000 65.2004 31.1868 177.2023 117 D 4.5903 8.4556 116.1117 53.8953 40.8427 177.3575 118 G 3.9080 8.1445 108.2966 44.9629 0.0000 173.7867 119 Y 4.5014 7.7584 117.8615 58.0565 39.0220 175.3095 120 K 4.9624 9.0527 122.5642 56.0899 34.2246 175.8190 121 I 5.0239 9.2607 124.5319 59.6245 41.2025 173.7890 122 E 4.0533 9.1581 128.4607 54.4038 31.6069 174.3189 123 L 5.0906 8.5859 126.9397 53.0026 44.4719 175.3449 124 I 4.5758 8.5833 124.9007 59.1768 40.2100 174.6629 125 E 4.6414 9.0378 129.6159 55.7918 29.1817 175.2355 126 E 4.5812 8.2771 131.9577 54.6979 31.8590 174.8938 *134 G 4.0016 8.6205 104.0341 44.9932 0.0000 172.4479 135 N 4.5413 8.0426 120.5037 52.6090 37.5378 174.3659 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 1 M 8.29 4.49 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.91 4.34 0.00 1.95 1.85 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 3 L 9.10 4.18 0.00 1.63 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.54 4.41 0.00 1.53 1.68 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.44 5.69 0.00 3.22 3.33 0.00 5.08 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 6 T 8.34 4.58 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 1.15 0.00 0.00 7 M 8.57 4.78 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 8 L 8.42 4.51 0.00 1.16 0.68 0.08 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.03 4.63 0.00 0.67 0.78 0.00 2.55 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 0.00 10 V 9.01 4.77 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 0.83 0.00 0.00 1.11 0.00 0.00 11 G 10.07 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 12 D 7.92 4.20 0.00 2.69 2.53 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 13 L 8.08 3.95 0.00 1.79 1.58 1.01 0.78 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 14 Q 7.91 3.97 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 15 R 8.39 3.95 0.00 1.94 2.17 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 S 8.21 4.31 0.00 4.18 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 17 I 8.37 3.82 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.96 0.00 0.00 18 D 8.76 4.42 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.24 4.01 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.36 3.94 0.00 3.20 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 21 T 8.12 4.88 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 1.29 0.00 0.00 22 K 8.23 3.95 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.50 7.81 23 V 7.53 3.73 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 0.46 0.00 0.00 0.88 0.00 0.00 24 L 7.43 4.16 0.00 1.81 1.75 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.07 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 26 M 8.16 4.27 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.91 0.00 27 K 8.77 4.93 0.00 1.64 1.67 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 28 L 8.45 4.30 0.00 1.67 1.62 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.98 4.41 0.00 1.71 1.71 0.98 0.95 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 30 R 7.46 4.62 0.00 1.84 1.96 0.00 2.70 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 31 T 8.49 5.51 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 1.28 0.00 0.00 32 S 8.87 4.80 0.00 3.97 4.06 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 0.00 0.00 0.00 33 E 8.78 5.11 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 34 N 8.78 4.55 0.00 1.97 1.42 0.00 0.00 7.29 7.40 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 35 P 0.00 4.29 0.00 2.11 2.27 0.00 3.71 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 2.07 2.20 0.00 36 E 8.24 3.81 0.00 1.80 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 0.00 1.47 1.92 0.00 37 Y 8.48 4.23 0.00 3.08 3.14 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 38 K 7.27 2.00 0.00 1.79 1.66 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.16 7.81 39 Y 5.37 4.88 0.00 3.04 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 40 S 9.92 5.38 0.00 4.13 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 41 L 9.45 5.42 0.00 1.69 1.43 1.19 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.61 5.20 1.19 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 43 F 9.49 5.02 0.00 2.97 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 44 V 8.33 4.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.66 0.00 0.00 45 G 8.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.73 4.70 0.00 3.16 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 47 G 7.34 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 0.00 0.00 0.00 0.00 48 P 0.00 4.41 0.00 2.19 1.98 0.00 3.64 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 2.12 2.11 0.00 49 E 8.90 4.17 0.00 1.97 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 0.00 2.40 2.28 0.00 50 T 7.96 3.78 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 1.19 0.00 0.00 51 E 7.99 4.51 0.00 1.99 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 2.26 2.22 0.00 52 E 7.55 4.67 0.00 1.97 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 2.41 2.31 0.00 53 A 8.33 4.43 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 54 V 8.81 4.57 2.33 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 0.81 0.00 0.00 1.08 0.00 0.00 55 I 8.56 4.75 1.52 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 0.99 0.62 0.50 0.00 0.00 56 E 8.87 4.20 0.00 1.29 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 1.66 1.47 0.00 57 L 8.80 4.83 0.00 1.49 1.51 0.85 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.61 4.99 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 1.04 0.00 0.00 59 Y 9.24 5.24 0.00 3.17 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 60 N 7.81 4.92 0.00 2.70 2.65 0.00 0.00 6.54 7.55 0.00 0.00 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 W 8.27 4.54 0.00 3.37 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 62 G 9.45 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 0.00 0.00 0.00 63 V 7.80 4.03 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 0.39 0.00 0.00 0.83 0.00 0.00 64 D 8.36 5.25 0.00 2.97 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 65 K 7.18 4.52 0.00 1.61 1.55 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.46 7.81 66 Y 8.20 4.68 0.00 2.90 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 67 E 8.63 4.52 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 68 L 8.65 3.88 0.00 1.53 1.72 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.13 3.95 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 0.00 0.00 0.00 70 T 8.25 4.50 4.26 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 1.23 0.00 0.00 71 A 8.13 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.08 4.15 0.00 2.96 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 73 G 7.06 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 0.00 0.00 0.00 74 H 6.08 4.40 0.00 3.28 3.32 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.00 4.77 2.04 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 1.26 0.98 1.02 0.00 0.00 76 A 8.78 5.23 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 77 L 8.98 5.04 0.00 1.57 1.63 1.13 0.93 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 78 S 8.59 4.88 0.00 3.80 3.80 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 0.00 0.00 79 V 8.42 4.38 2.04 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 0.96 0.00 0.00 0.95 0.00 0.00 80 D 8.89 4.16 0.00 2.62 2.69 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 0.00 0.00 0.00 81 N 7.76 4.83 0.00 2.66 2.62 0.00 0.00 7.04 8.32 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 82 A 9.46 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.00 3.92 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 84 E 8.59 3.84 0.00 2.01 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 0.00 2.30 2.47 0.00 85 A 8.43 3.98 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 86 C 8.39 4.09 0.00 3.13 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 87 E 8.09 3.93 0.00 2.15 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 2.53 2.47 0.00 88 K 7.88 3.86 0.00 1.90 1.97 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.47 7.81 89 I 8.11 3.91 2.13 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 1.44 0.43 1.11 0.00 0.00 90 R 8.24 3.96 0.00 1.93 2.23 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 91 Q 7.96 4.73 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 92 N 8.40 4.92 0.00 2.92 2.78 0.00 0.00 6.88 8.37 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 93 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.82 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 0.00 0.00 0.00 0.00 95 N 8.34 5.14 0.00 2.68 2.70 0.00 0.00 7.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.50 4.47 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 0.92 0.00 0.00 1.00 0.00 0.00 97 T 8.70 4.26 4.26 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 1.25 0.00 0.00 98 R 8.44 4.46 0.00 1.95 2.17 0.00 3.35 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 99 E 9.03 4.43 0.00 1.92 1.91 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 2.35 2.31 0.00 100 A 8.77 4.31 1.23 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 0.00 0.00 101 G 8.75 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 0.00 102 P 0.00 4.97 0.00 1.96 2.16 0.00 3.69 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 2.04 2.10 0.00 103 V 8.89 3.90 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 0.76 0.00 0.00 0.97 0.00 0.00 104 K 8.54 4.12 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.45 7.81 105 G 9.61 4.01 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 0.00 0.00 0.00 106 G 7.95 4.08 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 0.00 107 T 8.39 4.57 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 0.00 108 T 8.02 3.89 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 1.20 0.00 0.00 109 V 8.46 4.34 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 1.09 0.00 0.00 0.97 0.00 0.00 110 I 8.81 5.32 1.83 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 1.20 0.84 0.89 0.00 0.00 111 A 8.37 5.06 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 0.00 112 F 9.21 5.21 0.00 2.98 2.92 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 0.00 113 V 9.01 5.01 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 0.76 0.00 0.00 1.12 0.00 0.00 114 E 8.95 5.37 0.00 1.88 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 2.27 2.27 0.00 115 D 8.90 3.57 0.00 2.02 2.69 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 0.00 0.00 0.00 116 P 0.00 4.02 0.00 2.00 2.06 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 117 D 8.46 4.59 0.00 2.61 2.59 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 0.00 0.00 0.00 0.00 118 G 8.14 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.76 4.50 0.00 3.44 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 0.00 120 K 9.05 4.96 0.00 2.05 1.92 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.59 7.81 121 I 9.26 5.02 2.01 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.04 0.00 0.00 122 E 9.16 4.05 0.00 1.20 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 0.00 1.69 1.47 0.00 123 L 8.59 5.09 0.00 1.48 1.48 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.58 4.58 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 0.88 0.00 0.00 125 E 9.04 4.64 0.00 1.94 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 2.29 2.27 0.00 126 E 8.28 4.58 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 2.18 2.26 0.00 *134 G 8.62 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 0.00 0.00 0.00 135 N 8.04 4.54 0.00 2.81 2.78 0.00 0.00 5.86 7.56 0.00 0.00 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.