# 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 A C C 77.72 3.96 12.45 18.10 116.53 -139.31 -89.63 136.78 99.93 0.06 0.01 99.86 0.07 0.03 0.00 0.00 0.00 0.03 0.01 1 R C C 155.99 4.18 9.56 15.79 115.06 -148.29 -96.05 132.08 88.40 6.84 4.76 85.53 1.17 2.63 2.52 1.42 0.00 4.35 2.40 2 S C C 71.95 4.31 9.87 16.06 118.05 -152.59 -100.59 140.44 80.05 13.23 6.72 65.24 9.18 5.10 2.95 3.74 0.00 9.43 4.35 3 I C C 112.50 5.68 9.79 17.05 106.25 -147.31 -87.85 44.82 75.20 14.66 10.13 49.97 16.99 8.58 3.89 6.11 0.02 10.79 3.65 4 K C C 134.91 4.04 12.07 17.83 111.36 129.13 -90.60 122.69 76.17 14.23 9.60 50.06 16.22 10.27 3.46 6.06 0.02 10.47 3.45 5 K C C 135.65 4.48 12.90 19.14 113.46 -145.48 -94.47 129.58 79.57 13.04 7.39 50.01 20.62 9.20 3.02 4.36 0.02 7.94 4.85 6 G C C 29.08 9.58 12.77 23.27 130.66 -122.85 136.41 177.24 90.49 6.40 3.11 52.91 28.13 9.56 0.64 2.70 0.00 3.99 2.06 7 P C T 79.24 7.29 15.73 23.82 102.75 -50.02 -72.04 30.34 91.23 4.14 4.63 29.60 29.56 32.61 0.76 3.79 0.00 2.73 0.94 8 F C C 91.87 11.16 16.59 27.95 108.95 61.58 -94.70 99.22 72.33 21.20 6.47 33.68 17.60 23.25 1.96 4.38 0.05 14.07 5.00 9 I C C 41.80 18.02 12.95 30.39 118.15 -146.93 -103.50 130.41 72.55 24.29 3.16 59.63 9.96 1.63 2.29 1.12 0.00 12.93 12.42 10 E C C 79.75 9.25 16.43 26.78 109.96 -128.64 -81.50 121.60 93.72 2.88 3.40 91.39 2.08 0.81 2.85 0.42 0.00 1.78 0.66 11 K H H 132.54 4.89 15.34 22.13 93.57 -148.86 -62.41 -34.14 15.69 0.16 84.15 3.90 1.91 9.77 80.23 4.01 0.02 0.09 0.06 12 S H H 63.95 2.76 18.80 21.35 91.65 57.64 -65.43 -33.26 10.58 0.11 89.32 2.37 1.03 6.93 84.95 4.59 0.02 0.06 0.04 13 L H H 15.40 17.58 14.74 32.81 92.44 52.81 -65.91 -41.90 2.47 0.06 97.48 0.90 0.32 1.29 93.75 3.67 0.00 0.04 0.01 14 Y H H 55.92 16.20 16.37 32.29 91.79 52.31 -62.94 -42.08 1.12 0.03 98.85 0.41 0.13 0.56 97.80 1.07 0.00 0.02 0.00 15 Q H H 106.19 1.99 22.56 23.00 91.51 50.72 -64.34 -41.46 0.91 0.02 99.07 0.29 0.09 0.49 98.67 0.44 0.00 0.02 0.00 16 K H H 92.56 6.12 20.85 27.43 91.83 49.39 -64.99 -41.16 1.18 0.03 98.78 0.34 0.12 0.69 98.40 0.42 0.00 0.02 0.00 17 V H H 8.64 21.52 14.51 36.12 92.19 49.94 -64.44 -42.69 1.40 0.04 98.56 0.37 0.13 0.81 98.17 0.48 0.00 0.03 0.00 18 L H H 73.33 8.55 19.28 28.45 91.87 50.74 -64.03 -40.29 2.58 0.05 97.37 0.56 0.24 1.64 96.69 0.83 0.01 0.03 0.01 19 S H H 72.40 1.68 21.09 21.05 92.34 51.52 -67.01 -36.10 8.25 0.08 91.67 0.97 0.62 6.42 90.62 1.27 0.03 0.04 0.03 20 S H H 29.23 11.85 13.42 26.47 93.61 52.93 -73.89 -23.45 19.65 0.29 80.06 3.50 2.07 13.94 78.21 1.96 0.06 0.13 0.13 21 F H H 92.98 12.43 11.83 24.14 103.01 80.59 -77.33 25.14 40.76 1.70 57.54 11.59 6.43 23.66 54.14 2.52 0.13 0.77 0.77 22 G C T 59.38 1.56 15.05 16.56 99.42 45.07 -23.74 -0.91 68.95 1.82 29.22 23.62 10.20 34.14 27.49 2.91 0.03 0.82 0.80 23 S C T 62.07 4.64 9.74 16.17 117.74 93.75 -99.97 160.74 83.97 1.55 14.48 27.01 27.11 30.46 9.30 4.56 0.01 0.64 0.92 24 E C T 167.02 0.90 11.83 12.70 96.02 -111.92 -70.61 -3.88 92.61 0.53 6.87 16.51 36.32 40.28 1.66 4.66 0.00 0.25 0.33 25 K C S 135.92 2.49 12.57 16.32 116.96 87.80 -100.44 137.44 92.23 2.09 5.68 31.95 37.89 22.38 1.01 4.81 0.00 1.15 0.81 26 R C C 127.47 9.32 11.65 21.95 112.50 -120.14 -78.18 128.12 88.01 8.48 3.51 69.66 12.14 5.85 0.77 3.02 0.00 6.87 1.69 27 V C C 62.21 9.10 16.62 26.95 123.68 -168.41 -114.01 139.63 76.83 22.38 0.78 65.14 9.53 1.32 0.25 0.53 0.00 21.74 1.49 28 V C E 63.75 11.43 18.24 30.23 115.79 -124.67 -87.12 131.23 51.07 48.77 0.16 47.02 2.98 0.26 0.05 0.10 0.00 48.65 0.94 29 I E E 19.37 20.89 15.19 36.37 117.34 -152.44 -103.92 129.65 14.26 85.67 0.06 14.04 0.42 0.04 0.05 0.02 0.00 84.07 1.36 30 K E E 107.79 7.16 23.93 31.80 116.49 -144.61 -94.45 131.26 11.63 88.33 0.04 11.32 0.40 0.03 0.03 0.02 0.00 87.15 1.05 31 T E E 20.03 21.91 13.47 34.70 125.45 -167.70 -116.60 143.32 38.81 61.06 0.12 36.33 1.64 0.18 0.04 0.08 0.00 60.02 1.71 32 Y C C 120.98 6.98 21.64 29.16 101.61 -165.69 -96.20 -12.33 76.44 23.13 0.43 43.06 31.65 2.46 0.09 0.38 0.00 20.83 1.52 33 S C C 33.71 12.79 17.45 30.78 126.01 58.09 -116.95 144.78 88.82 9.61 1.57 53.26 29.66 6.06 0.23 1.62 0.00 7.52 1.65 34 R C T 125.05 10.88 17.84 28.96 98.47 -159.42 -87.45 -14.77 89.35 5.66 4.99 15.21 34.80 39.39 0.32 5.08 0.00 4.24 0.95 35 S C T 66.38 5.64 21.97 28.01 100.69 52.30 -99.37 44.48 86.50 8.19 5.31 21.82 28.35 36.29 0.23 5.76 0.00 6.73 0.82 36 S C C 17.02 19.55 14.49 33.87 126.34 136.64 -98.34 154.23 77.10 20.45 2.45 65.60 9.50 1.18 0.19 2.31 0.00 20.36 0.85 37 T E E 61.45 7.73 25.31 33.81 120.31 -133.54 -106.73 135.29 13.90 86.03 0.08 12.74 0.83 0.07 0.04 0.05 0.00 78.97 7.31 38 I E E 16.20 23.86 15.22 39.37 116.00 -150.32 -100.00 126.98 14.98 85.01 0.01 15.01 0.29 0.01 0.01 0.00 0.00 74.32 10.35 39 I C C 48.10 9.92 20.91 31.91 114.74 -137.91 -83.18 136.74 99.14 0.85 0.00 99.26 0.16 0.00 0.00 0.00 0.00 0.53 0.04 40 P H G 65.38 11.24 16.13 28.26 91.08 -123.43 -58.17 -32.76 7.19 0.07 92.74 0.52 0.52 4.92 0.78 93.20 0.00 0.05 0.00 41 E H G 123.70 3.98 20.83 25.73 89.11 64.80 -67.55 -16.50 5.69 0.03 94.28 0.14 0.26 4.61 0.58 94.39 0.00 0.02 0.00 42 M H G 16.52 20.84 14.27 35.66 94.58 55.08 -94.33 -5.35 5.87 0.04 94.09 0.42 0.43 3.72 0.58 94.82 0.00 0.02 0.00 43 V C T 45.49 15.85 15.02 31.21 113.00 115.52 -63.83 133.31 97.03 1.21 1.76 0.70 1.42 95.81 0.23 0.75 0.00 0.41 0.68 44 S C T 73.14 3.94 22.18 26.78 93.21 20.68 76.56 2.81 99.49 0.29 0.22 0.34 1.79 97.49 0.01 0.15 0.00 0.21 0.01 45 L C C 37.69 15.69 16.10 32.30 122.38 124.14 -87.69 148.82 94.81 5.16 0.03 86.17 8.17 0.15 0.00 0.03 0.00 5.35 0.13 46 T E E 46.73 10.44 23.88 35.00 118.12 -134.66 -104.65 131.25 2.32 97.68 0.00 2.35 0.06 0.00 0.00 0.00 0.00 97.32 0.26 47 I E E 5.38 24.69 17.84 43.16 124.84 -170.28 -120.76 137.35 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 48 S E E 18.95 12.37 25.56 38.93 118.38 -147.51 -101.67 132.79 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 49 V E E 7.14 22.37 19.05 41.86 121.21 -164.30 -116.09 130.57 0.22 99.78 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 50 Y E E 50.82 12.30 19.44 32.98 115.83 -157.90 -105.76 122.65 3.99 95.99 0.02 3.27 0.39 0.05 0.00 0.01 0.00 96.17 0.11 51 N E E 57.86 10.08 16.61 28.17 101.39 175.92 -109.12 26.38 37.86 61.65 0.48 25.70 8.15 4.15 0.05 0.49 0.00 60.84 0.63 52 G C T 43.30 6.27 15.07 22.14 98.95 -87.30 76.32 -13.05 99.07 0.41 0.52 1.41 31.24 66.38 0.01 0.61 0.00 0.28 0.07 53 K C T 160.16 1.33 15.46 16.47 102.70 33.01 -101.75 -20.90 99.22 0.43 0.35 1.30 35.51 62.43 0.01 0.39 0.00 0.30 0.05 54 T E E 87.44 2.30 16.92 19.62 128.95 36.67 -129.33 146.10 21.66 78.31 0.03 15.04 6.17 0.30 0.00 0.03 0.00 77.99 0.47 55 F E E 91.84 14.57 11.45 25.79 117.39 -131.39 -97.10 133.01 3.96 96.03 0.00 3.68 0.12 0.00 0.00 0.00 0.00 96.13 0.08 56 I E E 54.70 9.56 18.21 29.41 118.92 -167.66 -119.97 123.34 0.91 99.09 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.13 0.01 57 P E E 71.88 8.85 19.83 29.25 114.51 -122.01 -69.88 139.04 0.84 99.16 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.19 0.00 58 I E E 19.08 20.74 15.11 35.79 127.53 -172.92 -126.49 140.26 0.58 99.42 0.00 0.56 0.00 0.00 0.00 0.00 0.00 99.42 0.01 59 Y E E 108.31 7.09 24.89 32.49 116.61 -137.58 -98.07 130.47 1.07 98.93 0.00 1.05 0.02 0.00 0.00 0.00 0.00 98.88 0.05 60 I E E 10.57 24.22 12.87 37.60 114.77 -147.45 -98.11 125.43 19.04 80.94 0.02 19.21 0.23 0.01 0.01 0.01 0.00 80.02 0.50 61 T C C 47.80 6.10 22.17 28.59 133.14 173.50 -127.49 168.43 90.05 9.71 0.25 88.11 2.13 0.18 0.06 0.16 0.00 8.71 0.64 62 E H G 118.88 8.33 15.16 24.56 91.63 -96.92 -60.53 -29.62 29.16 0.52 70.32 1.21 3.29 22.27 1.25 71.53 0.00 0.35 0.10 63 D H G 113.89 1.76 19.03 20.35 91.08 61.93 -75.18 -11.35 30.94 0.31 68.75 1.27 2.61 23.75 1.18 70.92 0.00 0.22 0.06 64 L H G 25.10 18.51 12.58 31.13 95.21 63.41 -90.11 -5.59 30.66 2.27 67.07 14.06 5.17 9.67 1.86 67.39 0.00 1.40 0.46 65 V C T 58.50 13.98 13.69 28.20 112.47 115.24 -63.65 134.20 92.72 5.09 2.18 6.39 5.63 81.23 0.62 1.28 0.01 2.60 2.24 66 G C T 46.50 4.54 20.12 25.52 94.97 21.53 84.39 -4.36 96.96 1.59 1.45 3.99 8.60 84.38 0.29 1.14 0.00 1.30 0.31 67 H C C 67.09 11.98 15.39 28.11 121.87 126.64 -88.43 153.43 91.28 4.17 4.55 75.58 12.57 2.80 2.69 1.85 0.00 1.85 2.65 68 K C C 97.79 7.34 21.00 28.71 116.46 -113.06 -78.99 146.63 57.08 28.09 14.83 36.95 9.97 6.73 6.91 6.79 0.05 6.99 25.61 69 L H G 43.22 19.46 13.87 32.70 105.72 -103.50 -62.07 133.98 35.80 1.86 62.33 5.08 6.20 24.82 9.02 52.84 0.07 1.14 0.82 70 G H G 36.54 9.34 18.47 28.21 94.44 37.73 76.08 -6.36 31.12 0.85 68.03 4.60 4.56 21.59 8.79 59.59 0.02 0.49 0.37 71 E H G 106.00 5.87 18.52 25.29 93.07 84.03 -76.07 -17.89 34.68 1.55 63.78 10.50 7.96 16.99 8.35 54.67 0.02 0.86 0.66 72 F C C 77.58 13.07 13.70 27.04 101.82 47.16 -98.14 1.84 62.87 7.78 29.35 26.74 19.66 17.77 7.75 19.75 0.12 3.01 5.19 73 S C C 45.64 11.63 12.66 24.97 120.12 95.03 -97.50 139.12 92.64 5.42 1.94 61.16 29.12 2.43 0.81 1.07 0.00 2.90 2.49 74 P C C 87.15 5.46 13.74 20.63 111.15 -112.08 -70.45 146.06 90.37 5.42 4.22 61.40 19.15 9.78 1.16 3.21 0.00 3.57 1.73 75 T C C 91.82 5.42 10.57 17.68 114.79 -130.09 -94.54 134.54 84.27 11.99 3.75 63.88 12.81 7.23 1.08 2.86 0.00 8.09 4.07 76 R C C 147.61 4.93 10.09 16.94 120.20 -157.06 -111.48 136.92 79.99 17.87 2.14 65.69 11.03 2.46 0.93 1.35 0.00 13.09 5.45 77 I C C 126.84 2.55 10.32 14.76 117.16 -148.38 -103.92 130.00 80.02 18.31 1.68 67.80 9.64 1.97 0.74 1.00 0.00 14.48 4.37 78 F C C 137.14 4.91 7.46 14.28 115.03 -142.91 -91.46 131.79 80.95 16.37 2.67 67.35 9.35 3.71 1.06 1.66 0.00 12.41 4.46 79 R C C 182.25 1.40 8.93 11.58 111.30 -159.24 -97.45 110.73 84.85 10.06 5.10 56.32 16.51 12.06 1.48 3.67 0.00 6.96 2.99 80 G C C 55.70 1.90 9.29 12.54 116.88 -29.73 111.07 176.41 85.72 6.96 7.33 40.85 25.48 20.11 1.35 5.87 0.00 4.47 1.87 81 H C C 147.70 2.43 7.36 11.55 112.84 -71.30 -95.30 126.11 82.80 8.18 9.02 49.19 17.67 16.04 2.07 7.00 0.00 5.33 2.69 82 A C C 80.49 3.11 7.18 12.18 114.22 -149.80 -92.86 135.59 89.19 4.72 6.09 77.18 2.97 9.57 1.52 3.81 0.00 3.39 1.57 83 K C C 161.59 1.73 10.84 13.90 109.31 -130.15 -86.16 120.25 99.86 0.10 0.03 99.67 0.14 0.11 0.01 0.00 0.00 0.05 0.01