NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.6983 8.2816 116.5593 58.1879 64.8593 172.8954 11 L 3.7964 8.7650 125.7168 53.8942 42.0088 174.1079 12 D 5.0561 9.4456 127.8094 53.0399 42.5400 175.0872 13 L 4.5137 8.4763 126.6165 54.5638 42.6660 176.4243 14 H 4.3321 8.1020 120.1354 57.5477 30.0343 175.5177 15 G 3.8300 8.7426 114.6683 45.1731 0.0000 173.1941 16 L 4.3793 7.2073 119.1178 53.6380 42.9640 176.8848 17 H 4.2710 8.5395 121.0729 55.8865 31.7477 176.6142 18 V 3.5404 7.9162 126.6447 65.2830 31.1327 178.2146 19 D 4.3663 8.1989 119.4693 56.9536 40.6614 178.6990 20 E 3.9297 8.2200 118.1861 59.1851 29.5214 178.8233 21 A 3.9652 8.3444 121.2600 55.3272 18.3764 179.7207 22 L 3.7120 8.1460 117.6219 57.7861 41.6982 179.3450 23 E 3.8014 8.1069 119.2246 59.5005 29.5356 178.3431 24 H 4.1413 8.3373 118.3233 59.0653 29.8474 176.8101 25 L 3.7412 7.9587 122.2921 58.4338 41.8885 178.7846 26 M 3.8391 7.7652 118.4553 58.5767 32.0247 179.1114 27 R 3.9366 7.9627 118.0338 59.0825 30.1889 179.3857 28 V 3.5323 8.0699 118.5155 65.9692 31.5450 178.0745 29 L 4.0016 8.1364 119.1590 57.6110 41.3986 178.9767 30 E 4.0034 8.2908 119.2566 59.5137 29.5671 179.2417 31 K 4.0546 7.9513 117.8796 59.3919 32.1322 179.6492 32 K 4.0615 8.5782 119.5898 59.5494 31.8708 179.5949 33 T 4.0823 8.7530 110.6336 64.6694 68.8045 176.3493 34 E 3.9407 8.3435 122.2418 58.9822 29.6532 178.3630 35 E 3.9447 8.3717 119.3359 59.3453 29.6857 178.5900 36 F 4.3520 8.4133 120.5978 61.3773 39.2565 177.2435 37 K 3.9020 8.3696 117.4250 59.3301 31.8759 178.8073 38 Q 4.2429 8.0093 117.1701 57.2927 29.0509 176.2723 39 N 4.8068 7.9002 113.5960 51.2709 40.9971 176.2232 40 G 3.3193 8.7825 107.6480 46.0021 0.0000 172.9453 41 G 3.9172 8.8602 105.5490 43.8244 0.0000 173.4198 42 K 3.7432 8.7072 124.8213 57.0062 32.2683 174.6781 43 P 3.9792 0.0000 0.0000 62.6035 32.5577 174.2636 44 Y 5.2887 7.1081 117.1097 55.9119 41.8053 173.7192 45 L 4.7209 9.0460 121.3407 53.1955 45.3307 175.3476 46 S 5.1607 8.8324 120.9215 57.8631 65.3197 173.0369 47 V 4.4690 8.8942 122.7142 61.2535 34.5213 174.2745 48 I 4.7557 8.9072 130.3290 60.5992 37.5821 176.5758 49 T 3.8801 8.8274 119.5203 62.6039 70.2482 175.3758 50 G 3.7632 8.1311 107.1070 44.5282 0.0000 175.3609 51 R 3.1450 8.1088 113.9699 57.6361 30.2808 177.0758 *61 R 4.3708 8.4207 115.8071 55.3780 33.1397 177.8421 62 I 4.0819 7.5130 111.2220 63.0604 37.8067 177.8992 63 K 3.8284 7.9888 121.1563 59.1364 32.0796 176.7314 64 P 4.2533 0.0000 0.0000 65.5081 31.3121 178.4803 65 A 4.0457 7.5235 120.0311 54.9656 18.1912 179.8270 66 V 3.4904 7.8987 116.7483 66.2649 31.5735 178.2834 67 I 3.3890 7.9960 119.8699 64.0820 36.8598 178.1442 68 K 3.8909 8.4872 120.8335 59.7975 31.8768 178.0315 69 Y 4.1098 8.1132 119.4709 60.7125 38.6694 177.9756 70 L 3.9267 8.2804 120.1664 57.9215 41.7281 179.6265 71 I 3.8503 8.0807 119.7694 64.7103 36.8971 178.7957 72 S 4.2384 8.2560 114.6024 60.8564 62.5849 175.4730 73 H 4.6404 7.5031 116.3390 54.6839 28.9842 174.4068 74 S 3.7990 7.7980 115.2106 59.5209 60.5277 171.1301 75 F 4.4357 8.3642 120.0454 57.0467 39.1992 176.1248 76 R 4.3873 8.8031 123.8023 56.4089 31.1697 175.6428 77 F 5.5794 8.2054 116.4764 56.3801 41.0224 172.8555 78 S 4.6181 9.0626 113.4768 57.2867 67.2774 172.2167 79 E 4.8336 8.6145 121.5063 55.2896 30.4019 176.6806 80 I 3.7291 8.6583 129.0833 63.7750 37.6175 176.1093 81 K 4.5322 7.5450 116.6896 54.6397 35.0760 172.9320 82 P 4.7961 0.0000 0.0000 63.8858 31.6104 177.1440 83 G 3.9524 9.8876 110.6618 45.0066 0.0000 171.8177 84 C 5.1990 8.4254 120.4253 57.7698 35.0053 172.5375 85 L 5.2494 9.2018 126.5715 52.8386 44.7032 175.5366 86 K 4.6760 9.2931 125.0980 55.3744 33.5343 175.2335 87 V 4.8546 8.5694 128.8327 61.3625 33.2455 174.8872 88 M 4.6676 9.1812 129.0173 55.3868 32.7442 176.6364 89 L 4.4478 8.4547 122.1766 54.9888 41.5585 176.6516 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 10 S 8.28 4.70 0.00 3.78 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 11 L 8.77 3.80 0.00 1.67 1.51 0.85 0.75 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 12 D 9.45 5.06 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 13 L 8.48 4.51 0.00 1.84 1.64 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.10 4.33 0.00 3.11 3.36 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.74 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 16 L 7.21 4.38 0.00 1.77 1.58 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.54 4.27 0.00 3.17 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.92 3.54 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 0.78 0.00 0.00 0.89 0.00 0.00 19 D 8.20 4.37 0.00 2.83 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 20 E 8.22 3.93 0.00 2.19 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 2.36 2.40 0.00 21 A 8.34 3.97 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 22 L 8.15 3.71 0.00 1.84 1.58 0.89 0.62 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 23 E 8.11 3.80 0.00 2.01 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 2.28 2.29 0.00 24 H 8.34 4.14 0.00 3.28 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.96 3.74 0.00 1.70 1.55 0.76 1.06 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 26 M 7.77 3.84 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 27 R 7.96 3.94 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 28 V 8.07 3.53 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 0.98 0.00 0.00 0.73 0.00 0.00 29 L 8.14 4.00 0.00 1.77 1.72 0.23 0.59 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 30 E 8.29 4.00 0.00 2.24 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 2.35 2.42 0.00 31 K 7.95 4.05 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 32 K 8.58 4.06 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.55 7.81 33 T 8.75 4.08 4.38 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 1.58 0.00 0.00 34 E 8.34 3.94 0.00 2.30 2.17 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 2.33 2.39 0.00 35 E 8.37 3.94 0.00 2.15 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 0.00 2.34 2.44 0.00 36 F 8.41 4.35 0.00 3.09 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 37 K 8.37 3.90 0.00 1.93 1.85 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.76 7.81 38 Q 8.01 4.24 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 39 N 7.90 4.81 0.00 2.91 2.77 0.00 0.00 6.97 7.18 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 40 G 8.78 3.32 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 0.00 41 G 8.86 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 42 K 8.71 3.74 0.00 1.67 1.69 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 1.12 7.81 43 P 0.00 3.98 0.00 2.00 2.19 0.00 3.88 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 2.18 2.05 0.00 44 Y 7.11 5.29 0.00 3.08 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 45 L 9.05 4.72 0.00 1.67 1.48 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.83 5.16 0.00 4.01 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 47 V 8.89 4.47 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 0.86 0.00 0.00 0.92 0.00 0.00 48 I 8.91 4.76 1.87 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 1.28 0.51 0.96 0.00 0.00 49 T 8.83 3.88 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 1.15 0.00 0.00 50 G 8.13 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 0.00 0.00 0.00 51 R 8.11 3.15 0.00 2.03 1.92 0.00 3.09 0.00 0.00 3.23 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 *61 R 8.42 4.37 0.00 1.88 2.02 0.00 3.07 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 62 I 7.51 4.08 1.83 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 1.57 0.73 0.91 0.00 0.00 63 K 7.99 3.83 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.53 7.81 64 P 0.00 4.25 0.00 2.20 2.09 0.00 3.77 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 2.11 2.16 0.00 65 A 7.52 4.05 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 66 V 7.90 3.49 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 0.96 0.00 0.00 0.90 0.00 0.00 67 I 8.00 3.39 1.88 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.76 1.08 0.00 0.00 68 K 8.49 3.89 0.00 1.81 2.11 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 69 Y 8.11 4.11 0.00 3.16 3.16 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 70 L 8.28 3.93 0.00 1.60 1.72 0.29 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.08 3.85 1.96 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 1.79 1.01 0.97 0.00 0.00 72 S 8.26 4.24 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.50 4.64 0.00 3.02 3.23 0.00 5.78 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.80 3.80 0.00 3.92 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 75 F 8.36 4.44 0.00 3.13 3.07 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 76 R 8.80 4.39 0.00 1.82 1.85 0.00 3.14 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 77 F 8.21 5.58 0.00 3.11 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 78 S 9.06 4.62 0.00 3.86 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 79 E 8.61 4.83 0.00 2.14 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 0.00 2.39 2.60 0.00 80 I 8.66 3.73 1.98 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 1.30 0.63 0.90 0.00 0.00 81 K 7.54 4.53 0.00 1.88 1.86 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.45 7.81 82 P 0.00 4.80 0.00 2.06 2.06 0.00 3.74 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 83 G 9.89 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 84 C 8.43 5.20 0.00 2.95 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 85 L 9.20 5.25 0.00 1.54 1.56 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.29 4.68 0.00 1.70 1.67 0.00 0.92 0.00 0.00 1.20 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.08 7.81 87 V 8.57 4.85 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 0.98 0.00 0.00 0.88 0.00 0.00 88 M 9.18 4.67 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 89 L 8.45 4.45 0.00 0.99 1.56 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.