# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 K C C 134.54 5.11 14.57 21.15 110.88 -164.66 -91.18 122.21 99.87 0.13 0.00 99.84 0.06 0.01 0.00 0.00 0.00 0.08 0.00 1 Q C C 98.20 6.46 14.25 22.17 120.67 -157.28 -106.93 137.48 56.31 43.63 0.05 55.17 0.61 0.13 0.01 0.03 0.00 43.32 0.72 2 V E E 70.02 10.89 13.81 25.57 120.57 -153.04 -110.32 132.25 20.40 79.57 0.03 18.26 1.37 0.09 0.01 0.02 0.00 79.82 0.43 3 L E E 38.30 14.15 15.60 30.83 120.45 -159.14 -110.37 133.40 5.16 94.83 0.01 4.82 0.28 0.02 0.00 0.00 0.00 94.72 0.16 4 K E E 104.51 9.55 19.61 30.08 122.40 -160.78 -113.55 134.33 3.72 96.27 0.01 3.34 0.21 0.01 0.00 0.00 0.00 96.38 0.05 5 F E E 29.14 17.80 16.89 34.93 133.77 -176.08 -135.92 151.74 2.91 97.09 0.00 2.68 0.10 0.00 0.00 0.00 0.00 97.17 0.04 6 T E E 53.07 11.10 22.90 34.36 122.74 -148.17 -116.32 133.10 1.95 98.05 0.00 1.83 0.05 0.00 0.00 0.00 0.00 98.05 0.06 7 L E E 11.14 23.09 17.11 40.34 118.48 -160.16 -110.73 127.19 3.65 96.34 0.00 3.44 0.12 0.01 0.00 0.00 0.00 96.12 0.31 8 D E E 62.93 7.83 25.13 33.46 108.84 -144.23 -93.09 112.19 18.60 81.38 0.03 17.34 1.01 0.07 0.01 0.02 0.00 80.76 0.80 9 C C C 8.93 23.52 14.33 38.31 99.60 -174.21 -97.06 10.88 82.60 15.51 1.88 56.35 15.96 9.97 0.25 1.92 0.00 14.09 1.46 10 T C S 66.98 8.67 20.16 29.52 93.65 105.06 -73.50 -21.68 93.98 5.11 0.91 13.50 65.95 14.66 0.10 0.83 0.00 4.16 0.80 11 H C S 96.90 6.47 19.52 26.70 110.40 43.37 -116.51 84.99 95.43 4.15 0.42 13.46 80.35 2.09 0.08 0.25 0.00 2.90 0.88 12 P C C 45.46 14.33 13.86 28.43 111.74 -154.11 -70.75 142.61 87.73 11.21 1.06 81.70 4.61 1.05 0.48 0.53 0.00 5.22 6.41 13 V C C 45.38 14.02 11.87 25.96 120.52 -127.21 -97.31 150.62 71.85 26.20 1.95 65.31 3.94 1.08 1.05 0.88 0.00 10.62 17.13 14 E C T 152.11 1.77 14.83 17.15 95.33 -107.41 -66.97 -24.37 70.47 21.61 7.92 4.20 11.88 56.48 1.16 6.32 0.17 13.56 6.24 15 D C T 108.33 2.56 14.57 17.75 95.11 46.76 -86.90 10.07 91.68 1.03 7.29 1.35 8.44 81.68 0.46 7.11 0.00 0.58 0.38 16 G C S 46.09 5.77 14.10 21.32 95.81 -103.80 82.13 6.47 93.71 2.48 3.82 7.98 56.30 29.44 0.30 3.60 0.00 1.36 1.03 17 I C S 61.32 11.52 16.13 28.26 99.18 112.40 -87.05 -28.18 76.59 22.71 0.70 34.76 41.20 2.72 0.35 0.41 0.01 11.38 9.17 18 M C C 23.64 19.69 13.63 33.02 129.60 24.10 -128.95 144.14 54.01 45.24 0.75 36.15 17.97 1.07 0.52 0.32 0.01 19.05 24.91 19 D C C 66.90 5.98 23.74 29.74 117.77 -141.17 -95.61 144.27 82.99 16.15 0.87 81.41 1.90 0.45 0.68 0.21 0.00 11.30 4.05 20 A H H 29.31 18.04 14.46 32.17 92.74 -125.70 -60.53 -36.81 10.48 0.25 89.28 3.89 1.72 5.39 84.34 4.39 0.03 0.16 0.08 21 A H H 61.53 3.15 21.53 24.37 91.65 55.79 -63.30 -40.20 6.58 0.08 93.34 0.84 0.64 4.88 87.46 6.06 0.04 0.05 0.03 22 N H H 63.73 7.48 20.57 28.64 92.06 49.64 -66.31 -38.86 4.51 0.08 95.41 0.98 0.51 2.85 88.42 7.16 0.02 0.05 0.02 23 F H H 9.56 23.86 15.30 39.20 91.96 51.81 -63.66 -43.01 1.75 0.03 98.22 0.68 0.23 0.81 96.75 1.51 0.00 0.02 0.01 24 E H H 63.72 12.77 19.63 32.41 91.61 52.40 -62.94 -41.57 1.13 0.02 98.85 0.36 0.11 0.58 98.53 0.40 0.00 0.01 0.00 25 Q H H 102.29 2.12 23.59 24.14 91.66 50.39 -64.38 -41.81 0.85 0.01 99.13 0.19 0.08 0.49 98.96 0.27 0.00 0.01 0.00 26 F H H 34.74 12.49 19.01 32.66 91.85 49.30 -64.38 -43.22 0.69 0.01 99.30 0.15 0.07 0.39 99.07 0.31 0.00 0.01 0.00 27 L H H 8.99 23.30 14.80 38.08 91.90 49.77 -64.51 -40.61 0.76 0.01 99.23 0.15 0.06 0.46 98.77 0.55 0.00 0.01 0.00 28 Q H H 96.61 8.43 18.67 27.66 91.91 52.66 -65.63 -35.51 2.19 0.01 97.80 0.16 0.12 1.82 96.90 0.99 0.00 0.00 0.00 29 E H H 126.97 2.33 20.73 22.37 94.34 46.92 -75.09 -29.98 12.09 0.03 87.88 0.38 0.61 11.25 86.71 1.00 0.02 0.01 0.02 30 R H H 99.67 10.30 17.74 28.22 101.85 32.71 -103.46 -11.88 35.57 0.47 63.97 3.53 3.82 27.69 63.02 1.44 0.09 0.20 0.21 31 I C C 24.09 21.54 11.91 32.55 108.89 82.59 -93.52 108.47 81.31 12.09 6.60 58.36 18.60 3.68 6.46 1.25 0.01 7.57 4.06 32 K C C 112.36 5.08 20.58 26.67 124.30 144.92 -118.99 136.73 53.91 43.67 2.42 49.53 2.49 1.04 2.05 0.67 0.00 35.42 8.79 33 V E E 40.30 16.80 10.77 27.11 117.94 -169.21 -123.43 118.99 22.11 74.59 3.30 13.41 4.76 2.82 2.16 1.50 0.09 44.30 30.95 34 N C T 127.65 2.23 14.62 17.88 93.05 -13.59 52.72 40.04 93.23 2.20 4.57 1.52 6.30 85.90 0.52 3.67 0.01 1.44 0.65 35 G C T 63.32 1.37 13.88 15.43 94.72 -52.61 79.57 3.89 96.25 0.47 3.27 1.42 8.20 86.54 0.24 3.12 0.00 0.31 0.16 36 K E E 113.96 4.25 14.07 20.20 121.46 111.28 -112.42 135.74 25.70 72.95 1.36 8.96 11.87 5.30 0.59 0.74 0.13 38.38 34.05 37 A C T 65.59 7.58 13.09 22.03 113.50 -117.04 -69.41 139.31 63.97 27.95 8.08 12.82 13.91 40.12 1.54 6.25 0.10 20.19 5.07 38 G C T 41.67 7.46 16.55 24.85 98.09 20.41 80.20 -1.64 82.48 8.19 9.33 20.77 21.70 40.61 1.62 7.64 0.03 5.86 1.78 39 N C C 79.46 8.48 17.43 26.60 99.26 114.39 -86.83 2.38 74.19 12.23 13.59 41.79 17.86 15.32 3.18 10.25 0.04 7.18 4.38 40 L C C 41.87 17.92 12.78 29.74 98.91 71.37 -89.94 4.85 66.96 21.18 11.86 35.66 15.86 16.79 3.33 8.03 0.14 11.57 8.62 41 G C T 45.28 5.28 16.82 23.29 101.64 -107.48 71.11 27.69 66.00 18.74 15.26 22.39 16.60 29.03 2.93 11.30 0.16 10.25 7.34 42 G C T 58.95 2.42 16.64 19.76 95.68 -23.82 65.72 17.80 86.70 2.14 11.15 6.26 19.43 60.38 1.13 10.46 0.01 1.30 1.03 43 G C T 41.37 9.14 16.19 25.83 95.62 -66.12 80.56 6.98 90.76 2.63 6.61 8.20 26.52 55.77 0.48 6.51 0.00 1.83 0.69 44 V C E 46.47 12.06 18.55 31.25 98.32 113.00 -87.39 -21.98 50.96 47.95 1.09 27.23 20.55 5.45 0.29 0.95 0.02 39.87 5.63 45 V E E 8.85 24.10 12.78 36.81 124.44 49.48 -119.82 134.75 19.00 80.94 0.06 16.77 1.67 0.13 0.02 0.04 0.00 80.38 0.99 46 T E E 57.88 6.30 26.15 32.86 123.09 -165.79 -118.82 137.72 3.33 96.66 0.01 3.22 0.10 0.01 0.00 0.00 0.00 96.53 0.14 47 I E E 28.67 22.82 13.54 35.79 121.44 -161.06 -117.73 128.63 1.48 98.52 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.49 0.02 48 E E E 97.53 4.17 23.48 27.94 124.30 -173.22 -124.77 137.62 0.87 99.13 0.00 0.76 0.05 0.01 0.00 0.00 0.00 99.16 0.03 49 R E E 117.38 13.04 12.65 25.75 118.67 -148.31 -104.28 129.59 5.70 94.27 0.03 4.66 0.62 0.09 0.00 0.01 0.00 94.44 0.18 50 S C C 52.21 4.42 14.91 20.72 127.79 174.95 -124.82 168.57 67.19 32.77 0.04 63.03 1.95 0.16 0.00 0.03 0.00 34.47 0.36 51 K C S 168.64 1.20 15.22 16.25 94.95 -80.67 -59.27 -38.92 99.40 0.41 0.18 2.67 63.28 33.52 0.01 0.16 0.00 0.31 0.05 52 S C S 62.62 8.46 13.81 23.03 102.10 9.90 -109.46 0.30 99.40 0.44 0.16 1.87 62.21 35.39 0.00 0.14 0.00 0.33 0.04 53 K E E 77.13 8.80 18.82 28.64 137.47 48.42 -142.18 154.63 32.13 67.83 0.03 24.06 7.41 0.29 0.00 0.03 0.00 67.71 0.51 54 I E E 11.41 22.26 14.82 37.82 120.11 -143.52 -113.42 129.06 2.59 97.41 0.00 2.48 0.05 0.00 0.00 0.00 0.00 97.42 0.05 55 T E E 33.93 9.51 25.32 35.99 119.83 -163.18 -111.83 130.28 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 56 V E E 6.91 24.24 17.14 41.92 122.22 -168.06 -117.47 130.36 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 57 T E E 49.58 9.15 25.69 35.36 123.32 -169.14 -118.59 135.28 1.38 98.62 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.65 0.04 58 S E E 11.82 21.75 13.62 34.94 133.02 170.71 -136.36 154.00 25.22 74.77 0.01 23.23 1.17 0.05 0.00 0.01 0.00 75.16 0.39 59 E C S 126.14 4.05 22.06 26.73 97.02 -145.04 -88.70 -6.27 84.02 15.95 0.03 32.64 50.74 0.50 0.00 0.04 0.00 15.63 0.46 60 V C S 38.27 14.02 16.18 31.13 119.83 82.07 -102.39 135.21 92.67 7.27 0.05 27.70 64.85 0.64 0.01 0.05 0.00 6.11 0.64 61 P C C 75.44 7.06 23.31 30.67 112.59 -110.59 -68.19 140.41 96.14 3.82 0.05 88.86 7.08 0.40 0.01 0.04 0.00 3.11 0.50 62 F C C 13.78 24.58 12.10 36.47 126.21 -140.08 -112.01 146.01 91.56 8.30 0.14 85.46 5.78 0.18 0.07 0.06 0.00 2.78 5.67 63 S C C 39.91 6.65 22.84 29.74 120.69 -122.92 -81.66 158.27 97.03 2.81 0.16 96.62 0.92 0.08 0.10 0.03 0.00 0.98 1.28 64 K H H 106.84 11.03 16.05 27.62 91.50 -110.82 -59.00 -36.74 2.32 0.00 97.67 0.20 0.30 1.69 97.30 0.51 0.00 0.00 0.00 65 R H H 140.32 3.08 21.38 24.14 91.35 54.95 -64.01 -39.72 1.40 0.00 98.60 0.08 0.09 1.15 97.99 0.68 0.00 0.00 0.00 66 Y H H 40.45 15.91 18.65 34.65 92.03 48.97 -65.70 -40.98 0.49 0.00 99.50 0.05 0.03 0.35 98.89 0.68 0.00 0.00 0.00 67 L H H 9.51 23.19 17.13 40.09 91.45 51.14 -63.80 -42.22 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 68 K H H 91.46 9.25 22.60 31.85 91.59 51.64 -63.53 -41.50 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 69 Y H H 84.78 6.70 23.98 31.19 91.75 49.64 -64.52 -42.44 0.15 0.00 99.85 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 70 L H H 12.68 19.36 21.00 40.26 91.66 49.15 -64.63 -43.21 0.37 0.00 99.63 0.02 0.01 0.27 99.64 0.05 0.00 0.00 0.00 71 T H H 10.17 21.28 19.75 40.71 91.91 49.56 -64.16 -42.24 1.00 0.00 99.00 0.07 0.05 0.73 99.08 0.07 0.00 0.00 0.00 72 K H H 96.20 7.61 23.22 31.01 91.82 50.79 -64.54 -41.33 1.10 0.00 98.90 0.07 0.05 0.88 98.87 0.12 0.00 0.00 0.00 73 K H H 80.77 6.21 22.81 29.47 91.88 49.44 -64.81 -41.79 1.24 0.00 98.76 0.08 0.07 1.03 98.65 0.17 0.00 0.00 0.00 74 Y H H 23.32 16.52 17.99 35.11 92.17 48.25 -64.94 -42.60 0.73 0.00 99.26 0.09 0.07 0.52 99.04 0.27 0.00 0.00 0.00 75 L H H 19.86 17.19 15.03 32.69 91.92 50.07 -64.37 -41.37 0.78 0.00 99.22 0.11 0.05 0.52 98.79 0.52 0.00 0.00 0.00 76 K H H 132.54 2.60 17.98 20.93 92.37 49.09 -65.34 -40.60 1.38 0.00 98.61 0.10 0.06 1.09 98.24 0.51 0.00 0.00 0.00 77 K H H 127.06 3.60 16.37 20.86 92.32 49.62 -67.66 -33.40 6.34 0.01 93.65 0.15 0.23 6.07 93.06 0.48 0.01 0.00 0.00 78 N C T 56.39 10.92 12.64 24.77 97.46 40.15 -101.01 6.82 86.90 0.04 13.07 0.52 2.19 83.21 13.45 0.58 0.00 0.01 0.04 79 N C T 127.38 1.76 19.07 20.77 92.82 -122.08 57.78 39.17 99.64 0.01 0.34 2.26 1.75 95.77 0.14 0.07 0.00 0.01 0.00 80 L C C 19.00 19.29 12.21 31.73 100.89 134.00 -104.30 20.13 97.49 0.66 1.85 95.77 1.20 1.04 0.47 0.88 0.00 0.26 0.37 81 R C G 93.91 14.95 15.93 30.30 92.92 121.03 -61.74 -33.31 50.90 0.91 48.19 22.47 4.93 18.71 1.40 51.73 0.00 0.59 0.17 82 D H G 101.98 3.55 22.46 26.57 91.00 61.28 -73.23 -13.21 49.02 0.59 50.38 2.22 5.87 37.06 0.90 53.43 0.00 0.36 0.15 83 W H G 44.57 17.67 18.40 35.93 98.56 53.52 -97.51 -10.05 48.31 1.94 49.75 5.01 7.68 32.99 0.98 51.62 0.00 1.48 0.24 84 L E E 5.67 25.42 16.60 42.37 123.86 75.77 -109.25 136.21 25.71 73.56 0.74 20.93 4.89 0.70 0.17 0.54 0.00 71.82 0.95 85 R E E 67.82 13.26 26.70 39.64 128.57 -173.96 -125.33 142.42 5.00 94.98 0.02 4.30 0.35 0.03 0.01 0.01 0.00 95.24 0.07 86 V E E 17.99 21.90 21.11 42.49 118.07 -137.77 -103.71 128.96 0.72 99.28 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.30 0.02 87 V E E 24.88 15.09 22.72 38.09 123.88 -171.80 -119.46 136.82 0.76 99.24 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.27 0.03 88 A E E 22.13 15.99 16.31 32.78 123.95 -160.93 -116.82 138.95 6.70 93.29 0.02 6.27 0.28 0.03 0.00 0.01 0.00 93.24 0.17 89 N C E 91.65 6.49 17.40 25.03 99.05 -164.32 -93.84 -19.96 55.92 43.99 0.10 21.87 31.16 1.68 0.01 0.10 0.00 44.87 0.32 90 S C S 55.23 3.05 18.77 21.60 135.97 2.69 -144.44 173.55 70.74 28.98 0.28 12.02 52.40 5.92 0.02 0.29 0.00 28.20 1.15 91 K C T 144.05 5.28 14.25 21.06 93.72 -87.61 -66.96 -25.41 99.20 0.32 0.48 1.13 41.89 56.27 0.02 0.42 0.00 0.19 0.08 92 E C T 123.33 4.90 16.31 22.13 101.08 33.12 -103.98 0.89 98.96 0.69 0.35 1.99 42.16 54.88 0.02 0.35 0.00 0.51 0.09 93 S E E 33.30 9.18 18.07 28.82 130.60 63.85 -130.50 146.85 41.90 58.01 0.09 34.10 6.66 0.51 0.01 0.09 0.00 57.96 0.66 94 Y E E 27.85 21.25 13.44 34.43 133.78 -174.60 -137.39 149.64 6.44 93.56 0.01 5.81 0.25 0.02 0.00 0.00 0.00 93.82 0.09 95 E E E 74.45 8.05 25.23 33.87 124.61 -158.22 -122.41 137.01 0.63 99.36 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.01 96 L E E 17.62 23.02 15.57 38.58 117.19 -140.24 -94.18 130.99 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 97 R E E 85.97 9.64 23.21 33.11 124.85 -170.64 -121.94 135.97 0.93 99.07 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.14 0.01 98 Y E E 78.56 15.04 16.25 31.26 118.67 -136.27 -93.34 135.04 7.43 92.56 0.01 6.81 0.31 0.02 0.00 0.00 0.00 92.57 0.29 99 F C C 57.50 13.98 13.26 27.82 113.88 -154.49 -99.56 131.83 72.07 27.80 0.12 69.81 0.76 0.36 0.03 0.07 0.00 28.23 0.74 100 Q C C 122.42 4.41 16.87 22.38 108.52 -135.81 -89.34 96.59 99.84 0.15 0.01 99.68 0.14 0.06 0.00 0.00 0.00 0.11 0.00