NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7105 8.2833 119.2095 52.3112 39.3235 174.2027 18 P 4.1373 0.0000 0.0000 65.1372 31.4842 176.2555 19 N 4.4187 8.4147 115.0660 56.2640 38.9846 176.5540 20 E 3.9203 8.7447 120.5866 59.2207 29.6309 178.7062 21 A 3.8086 8.2010 120.7170 55.2745 18.2928 178.6669 22 Y 4.3421 8.0747 116.7580 61.3601 38.9117 178.4926 23 R 3.8937 7.8664 117.2308 59.2760 30.3483 178.3072 24 H 4.2303 8.0320 117.9956 59.3937 29.8670 178.5152 25 Y 4.4686 7.6266 116.3215 58.3906 37.5955 178.4210 *27 K 3.8914 8.0110 121.1553 56.3549 34.4509 177.9940 28 K 4.0333 8.1684 119.3703 59.8874 31.7906 178.7807 29 L 4.0940 7.7458 117.5943 57.4429 41.5427 179.1040 30 S 4.2308 7.7022 112.8394 60.1986 63.5924 174.6028 31 Y 4.6640 7.7734 120.3001 58.6739 38.6695 174.8047 32 E 5.4025 8.0125 115.3751 54.7297 33.0100 175.0337 33 T 4.8861 8.7143 114.1781 60.5396 71.8849 172.1321 34 D 5.0470 8.3972 124.3508 51.5172 42.7299 177.1645 35 I 3.8826 8.5991 118.3322 64.5597 36.9385 178.1729 36 A 3.9357 8.0344 120.9092 55.4760 18.3237 179.0763 37 D 4.3088 8.0607 116.9345 57.4917 40.9756 179.0517 38 L 4.0082 7.9484 120.4531 58.1271 42.1178 178.7495 39 S 4.3990 8.6957 113.5444 61.7294 62.2400 176.2341 40 I 3.7200 7.9642 122.3369 64.4294 36.7665 178.0703 41 D 4.3924 8.0411 119.4008 57.5679 40.7224 178.9547 42 I 3.7681 7.8632 120.1169 64.3582 36.9153 178.4653 43 K 4.0155 7.8988 119.2028 59.2676 32.1798 178.0625 44 K 4.3179 8.2696 116.7258 56.0690 32.0700 176.6921 45 G 3.9835 8.0143 105.1704 46.9667 0.0000 173.3322 46 Y 4.1655 8.3500 121.6430 57.9822 38.9522 176.4011 47 E 4.4017 8.1990 123.5964 56.1283 30.1912 176.3943 48 G 3.7289 5.8093 105.8734 46.1335 0.0000 173.4331 49 I 5.1768 7.4003 113.1217 59.0553 41.0756 175.6174 50 I 4.3721 8.3621 123.8125 59.3510 40.0550 174.6071 51 V 4.2553 8.2594 128.1944 62.5480 32.5820 174.5841 52 V 4.6713 8.8638 128.8293 61.0747 34.2647 173.6848 53 D 3.7507 8.8444 128.2604 52.7865 41.9627 176.8578 54 V 3.9517 7.7603 126.2344 64.5209 32.6928 176.3384 55 R 4.2429 7.5863 118.9678 55.8012 30.7573 176.3530 56 D 4.5673 8.4841 118.2552 54.1177 42.6996 177.4562 57 A 3.9717 8.5460 123.2104 55.5420 18.4633 179.8249 58 E 3.9151 8.2300 116.9252 59.4470 29.6959 178.7255 59 A 4.1832 8.1129 120.3734 55.4300 18.2898 178.8406 60 Y 3.9031 7.8504 117.2259 60.5433 38.9185 177.6583 61 K 4.2198 8.0636 119.9358 59.1378 32.3615 178.4297 62 E 4.1347 8.1321 118.4736 57.6593 29.7963 176.9734 63 C 4.7842 6.8924 111.7256 58.4147 32.3809 172.3156 64 H 4.6028 7.8363 115.5098 54.3893 30.8240 173.3167 65 I 3.2729 8.0521 121.3294 60.1976 37.1969 174.4440 66 P 4.2971 0.0000 0.0000 64.5893 31.5064 176.4426 67 T 3.3695 8.7113 110.6254 62.0429 67.2368 171.2879 68 A 4.8085 7.6792 122.9594 51.5990 20.0949 177.5405 69 I 4.3639 8.7524 114.4069 59.4439 40.8261 174.2801 70 S 4.3580 7.7604 117.7693 56.8276 63.3136 174.4015 71 I 4.4187 8.1950 128.2586 58.8761 39.1650 172.0208 72 P 4.2908 0.0000 0.0000 62.9195 31.7288 175.9208 73 G 3.9477 8.9816 114.1276 49.1816 0.0000 175.7012 74 N 4.7995 7.8959 115.5802 52.4307 37.1251 175.1813 75 K 4.4182 7.9472 116.0766 56.5402 33.6662 175.6157 76 I 3.8692 7.5721 119.0766 60.8572 37.0426 174.5691 77 N 4.7500 7.7794 122.6196 52.1671 39.5766 174.6183 78 E 4.2630 8.5612 115.3573 58.4806 29.8889 178.9213 79 D 4.1927 8.0465 118.1230 56.8348 41.1003 177.1488 80 T 4.3306 7.7798 113.0536 63.8924 69.0589 175.0309 81 T 4.6140 7.5367 110.9794 60.9485 69.3049 176.1259 82 K 4.0790 7.7253 123.0358 60.1593 32.7056 178.2970 83 R 4.2179 7.9086 115.8522 56.7675 30.5459 176.1375 84 L 4.3830 7.3517 119.3912 53.6103 42.7379 176.3796 85 S 4.3337 8.6095 118.2951 57.9608 62.6998 174.4366 86 K 4.1300 8.5921 125.6760 57.3910 31.6977 177.4972 87 E 4.2006 8.0658 119.2450 57.4246 29.8793 176.4953 88 K 4.6432 7.7264 117.7130 54.8474 34.8976 175.9548 89 V 4.4098 8.8083 122.0533 61.6532 33.0321 175.1273 90 I 4.3164 8.4200 129.5366 61.1608 38.6520 175.3479 91 I 5.5938 8.6729 126.4577 58.8243 39.9232 174.9992 92 T 4.9580 8.5504 117.6693 60.4872 71.2960 173.2572 93 Y 4.9762 7.7872 118.4600 56.4180 41.0712 173.8986 94 C 4.9856 8.5629 122.9197 56.1980 46.2391 174.0086 95 W 4.1217 9.2376 114.0683 59.1161 29.6504 176.7819 96 G 4.4177 7.6489 106.0732 44.8358 0.0000 171.4183 97 P 4.1331 0.0000 0.0000 65.2811 31.3436 177.1895 98 A 4.2643 7.9376 118.4022 52.7627 18.9118 177.3204 99 C 4.9165 7.9514 115.8908 55.2498 43.2036 173.5345 100 N 4.6610 8.4700 120.0760 53.7420 39.3844 177.7793 101 G 3.9757 7.9886 107.3604 47.7803 0.0000 175.3049 102 A 4.0178 8.0602 123.4906 54.9501 18.4792 179.7355 103 T 3.8128 7.8226 113.5047 66.6602 68.7213 176.8004 104 K 3.8517 8.4459 120.5043 59.5483 32.1553 179.0062 105 A 3.9354 8.5250 120.8825 55.3097 18.2139 179.2666 106 A 4.1052 8.4169 119.1605 55.4553 18.2997 179.7115 107 A 3.9468 7.9071 118.8954 55.4244 18.4490 180.0347 108 K 3.8466 7.8672 116.4573 59.4897 32.0307 179.7478 109 F 4.1247 8.3590 117.8727 60.5931 38.9602 177.5913 110 A 4.5060 8.4216 121.9590 54.7860 17.9241 179.4398 111 Q 4.0777 8.3499 117.3108 58.5594 29.1481 177.1993 112 L 4.6025 7.5745 118.0248 54.2605 41.8018 177.0907 113 G 3.8414 7.9097 106.6623 45.9056 0.0000 173.6784 114 F 4.5560 8.3388 117.9553 55.8908 41.5118 175.5956 115 R 4.7009 8.5149 123.0599 55.5270 28.5065 175.6691 116 V 4.5139 7.8778 122.0209 60.8705 33.8832 176.3867 117 K 4.7472 8.6514 122.6804 55.5278 35.8786 174.6344 118 E 4.7226 9.0132 126.2651 55.8688 31.5696 175.7032 119 L 4.6918 8.8792 125.4430 53.5556 43.0023 175.4624 120 I 3.7844 7.9992 121.9431 61.8395 37.6504 175.0942 121 G 3.1841 9.8619 116.8882 44.4005 0.0000 174.9263 122 G 4.2117 7.8017 107.3365 45.1689 0.0000 173.4967 123 I 3.6942 8.0784 118.4828 64.4188 36.4652 177.6328 124 E 4.0787 8.6810 120.4778 60.0098 28.9950 178.7778 125 Y 4.3757 8.1335 115.9925 60.6963 38.0164 177.9593 126 W 4.0769 8.4007 129.3957 60.4671 30.5923 178.0126 127 R 3.9852 8.4375 117.1238 59.5691 29.6849 178.7841 128 K 3.9967 7.5354 115.5678 59.3412 32.0035 178.8976 129 E 4.0093 7.3724 116.7799 58.8543 29.8265 176.3435 130 N 4.2792 7.3507 119.3582 53.3658 38.6322 175.1670 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 17 N 8.28 4.71 0.00 2.75 2.82 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.14 0.00 2.29 2.15 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 19 N 8.41 4.42 0.00 3.01 2.92 0.00 0.00 6.71 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 20 E 8.74 3.92 0.00 2.14 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 2.28 2.33 0.00 21 A 8.20 3.81 1.58 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 0.00 0.00 22 Y 8.07 4.34 0.00 3.08 3.27 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 0.00 23 R 7.87 3.89 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 24 H 8.03 4.23 0.00 3.16 3.10 0.00 5.79 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 25 Y 7.63 4.47 0.00 3.02 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 *27 K 8.01 3.89 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.51 7.81 28 K 8.17 4.03 0.00 1.84 2.01 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 29 L 7.75 4.09 0.00 1.62 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.70 4.23 0.00 3.80 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 31 Y 7.77 4.66 0.00 3.20 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 32 E 8.01 5.40 0.00 1.98 1.96 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 2.52 2.33 0.00 33 T 8.71 4.89 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 1.33 0.00 0.00 34 D 8.40 5.05 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.60 3.88 1.88 0.00 0.00 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 1.74 0.95 0.78 0.00 0.00 36 A 8.03 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.06 4.31 0.00 2.84 2.74 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 38 L 7.95 4.01 0.00 1.93 2.08 0.88 0.84 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 39 S 8.70 4.40 0.00 3.94 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 40 I 7.96 3.72 2.00 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 1.80 0.72 0.90 0.00 0.00 41 D 8.04 4.39 0.00 2.97 2.89 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 42 I 7.86 3.77 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.93 0.98 0.00 0.00 43 K 7.90 4.02 0.00 1.91 1.88 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 44 K 8.27 4.32 0.00 2.04 1.87 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 45 G 8.01 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 0.00 0.00 0.00 46 Y 8.35 4.17 0.00 3.00 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 47 E 8.20 4.40 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 48 G 5.81 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 0.00 0.00 0.00 49 I 7.40 5.18 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 1.09 0.00 0.00 50 I 8.36 4.37 1.76 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.83 0.00 0.00 51 V 8.26 4.26 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 1.00 0.00 0.00 0.90 0.00 0.00 52 V 8.86 4.67 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 0.86 0.00 0.00 0.69 0.00 0.00 53 D 8.84 3.75 0.00 2.66 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 54 V 7.76 3.95 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 0.89 0.00 0.00 0.86 0.00 0.00 55 R 7.59 4.24 0.00 1.65 1.60 0.00 2.74 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 56 D 8.48 4.57 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 57 A 8.55 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 58 E 8.23 3.92 0.00 2.14 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 0.00 2.43 2.69 0.00 59 A 8.11 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 3.90 0.00 2.93 3.09 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 0.00 0.00 0.00 61 K 8.06 4.22 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.13 4.13 0.00 2.24 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 2.39 2.51 0.00 63 C 6.89 4.78 0.00 2.95 2.86 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 64 H 7.84 4.60 0.00 3.11 2.83 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.05 3.27 1.25 0.00 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 -0.46 0.00 0.00 66 P 0.00 4.30 0.00 2.08 2.05 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 67 T 8.71 3.37 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 68 A 7.68 4.81 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.36 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.88 0.00 0.00 70 S 7.76 4.36 0.00 2.72 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 71 I 8.20 4.42 1.84 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 1.13 0.46 0.81 0.00 0.00 72 P 0.00 4.29 0.00 1.86 1.96 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 73 G 8.98 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 74 N 7.90 4.80 0.00 2.79 2.89 0.00 0.00 5.69 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.95 4.42 0.00 1.62 1.89 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.57 3.87 1.55 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.03 0.00 0.00 77 N 7.78 4.75 0.00 2.65 2.84 0.00 0.00 6.57 7.54 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 78 E 8.56 4.26 0.00 2.06 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 2.45 2.30 0.00 79 D 8.05 4.19 0.00 2.64 2.70 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 80 T 7.78 4.33 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 1.14 0.00 0.00 81 T 7.54 4.61 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 1.06 0.00 0.00 82 K 7.73 4.08 0.00 1.94 2.20 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.91 4.22 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 84 L 7.35 4.38 0.00 1.93 1.71 0.82 0.80 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 85 S 8.61 4.33 0.00 3.87 3.77 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 0.00 0.00 0.00 86 K 8.59 4.13 0.00 1.59 1.57 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.85 7.81 87 E 8.07 4.20 0.00 1.96 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 2.29 2.40 0.00 88 K 7.73 4.64 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.34 7.81 89 V 8.81 4.41 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 1.04 0.00 0.00 0.99 0.00 0.00 90 I 8.42 4.32 1.45 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 0.11 0.07 -0.17 0.00 0.00 91 I 8.67 5.59 1.86 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 0.92 1.12 0.94 0.00 0.00 92 T 8.55 4.96 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 93 Y 7.79 4.98 0.00 2.97 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 94 C 8.56 4.99 0.00 3.08 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 95 W 9.24 4.12 0.00 3.39 3.26 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 96 G 7.65 4.42 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 0.00 0.00 0.00 97 P 0.00 4.13 0.00 2.07 2.12 0.00 3.71 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 2.02 1.44 0.00 98 A 7.94 4.26 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 99 C 7.95 4.92 0.00 3.10 3.24 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 0.00 100 N 8.47 4.66 0.00 2.80 2.83 0.00 0.00 6.75 7.60 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 0.00 101 G 7.99 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 0.00 0.00 0.00 102 A 8.06 4.02 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 0.00 103 T 7.82 3.81 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 1.20 0.00 0.00 104 K 8.45 3.85 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.58 7.81 105 A 8.53 3.94 1.42 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 0.00 0.00 106 A 8.42 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.91 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.87 3.85 0.00 1.71 1.65 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 109 F 8.36 4.12 0.00 3.24 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 0.00 110 A 8.42 4.51 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.35 4.08 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.57 4.60 0.00 2.19 2.02 0.84 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.91 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 0.00 0.00 0.00 114 F 8.34 4.56 0.00 3.32 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 0.00 115 R 8.51 4.70 0.00 1.99 1.88 0.00 3.26 0.00 0.00 3.41 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 116 V 7.88 4.51 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 0.93 0.00 0.00 0.98 0.00 0.00 117 K 8.65 4.75 0.00 1.86 1.67 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.60 7.81 118 E 9.01 4.72 0.00 2.17 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 2.45 2.31 0.00 119 L 8.88 4.69 0.00 1.83 1.83 1.07 0.80 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 0.00 120 I 8.00 3.78 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.97 0.00 0.00 121 G 9.86 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.80 4.21 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 0.00 123 I 8.08 3.69 1.97 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 1.51 0.71 1.04 0.00 0.00 124 E 8.68 4.08 0.00 2.30 2.22 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 2.56 2.53 0.00 125 Y 8.13 4.38 0.00 3.11 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 0.00 126 W 8.40 4.08 0.00 3.44 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 0.00 127 R 8.44 3.99 0.00 2.04 2.06 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 128 K 7.54 4.00 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 E 7.37 4.01 0.00 1.50 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 130 N 7.35 4.28 0.00 2.16 2.52 0.00 0.00 7.01 7.16 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 * Residues marked with a * may have inaccurate shift predictions.