# 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 G C C 45.12 5.01 13.48 19.89 116.70 -133.63 104.12 157.13 99.95 0.04 0.01 99.80 0.12 0.05 0.00 0.00 0.00 0.02 0.01 1 S C C 83.72 3.21 11.23 16.06 108.76 -127.57 -89.39 84.49 96.76 2.77 0.47 90.72 1.96 4.30 0.10 0.30 0.00 1.95 0.66 2 H C C 144.61 2.69 11.92 16.13 111.75 -146.35 -95.89 118.74 90.93 8.54 0.53 60.56 25.46 5.16 0.09 0.58 0.00 5.88 2.26 3 M C C 88.70 9.64 11.03 21.64 117.29 -143.33 -95.57 135.12 89.82 10.14 0.04 68.24 21.53 0.33 0.00 0.05 0.00 8.92 0.92 4 P C C 64.30 8.65 16.41 26.02 113.10 -119.93 -71.74 145.78 83.13 16.82 0.05 76.00 5.64 0.35 0.01 0.05 0.00 17.21 0.73 5 Y E E 81.11 14.29 15.29 29.65 132.05 -160.90 -130.40 149.10 14.95 85.00 0.05 13.21 1.53 0.13 0.01 0.04 0.00 83.45 1.62 6 L E E 52.68 13.00 18.32 31.94 118.94 -143.32 -109.05 129.63 6.09 93.90 0.02 5.52 0.46 0.03 0.00 0.01 0.00 93.75 0.21 7 L E E 65.13 12.90 18.94 32.02 116.77 -152.52 -100.96 126.64 3.11 96.87 0.02 2.83 0.23 0.02 0.01 0.00 0.00 96.81 0.10 8 I E E 37.61 16.59 17.60 34.48 121.06 -167.66 -115.54 132.04 3.08 96.89 0.03 2.74 0.26 0.03 0.01 0.01 0.00 96.86 0.10 9 S E E 49.25 11.12 19.23 30.75 126.83 -168.64 -121.44 143.40 6.45 93.48 0.08 5.59 0.66 0.09 0.02 0.03 0.00 93.33 0.28 10 T E E 34.24 15.66 15.21 31.05 134.42 -174.66 -138.09 153.56 18.53 81.30 0.16 15.57 2.68 0.30 0.05 0.09 0.00 80.76 0.54 11 Q E E 114.77 4.63 20.43 25.61 111.95 -124.74 -90.43 123.49 36.07 63.62 0.30 28.08 7.30 0.76 0.07 0.21 0.00 62.85 0.73 12 I C C 47.88 17.98 11.88 29.04 118.45 -162.33 -100.42 131.08 54.39 44.42 1.19 46.68 5.71 1.33 0.34 0.78 0.00 43.47 1.69 13 R C C 140.07 5.10 18.33 24.44 113.07 -155.19 -97.59 123.59 67.68 31.27 1.05 56.02 8.55 1.90 0.25 0.78 0.00 30.89 1.62 14 M C C 92.92 11.15 14.66 26.13 117.76 -150.24 -102.71 131.10 68.49 30.18 1.33 51.31 13.78 3.09 0.35 1.07 0.00 27.74 2.67 15 E C C 86.42 10.79 14.11 25.56 119.17 -166.12 -107.14 133.33 65.13 34.01 0.86 53.14 8.71 2.09 0.26 0.71 0.00 30.22 4.87 16 V C C 96.57 6.28 15.65 23.23 109.31 -166.78 -101.73 60.96 75.34 24.20 0.46 48.37 25.31 2.65 0.12 0.43 0.00 19.89 3.24 17 G C S 30.33 6.68 17.90 25.31 134.50 28.84 155.06 175.21 86.44 13.40 0.16 27.32 56.66 2.37 0.02 0.15 0.00 12.43 1.04 18 P C C 76.12 7.45 18.11 26.35 114.19 -41.08 -69.27 145.94 88.82 10.75 0.43 59.59 25.02 3.93 0.08 0.42 0.00 10.05 0.92 19 T E E 28.94 19.28 14.16 32.93 121.66 -152.68 -112.72 136.47 46.61 52.68 0.71 37.91 6.18 1.44 0.29 0.54 0.00 46.55 7.09 20 M E E 92.22 8.62 22.82 31.89 117.20 -148.73 -103.39 129.01 33.08 65.98 0.94 25.18 6.03 1.63 0.44 0.67 0.00 58.53 7.51 21 V E E 32.04 19.04 16.20 34.66 124.75 -170.07 -119.50 138.62 46.08 52.83 1.09 29.56 10.41 6.74 0.31 0.91 0.00 47.60 4.46 22 G C C 23.88 11.42 19.27 30.87 132.58 61.70 125.15 -171.43 79.09 20.13 0.78 42.79 28.94 8.24 0.12 0.77 0.00 17.26 1.89 23 D C C 66.85 7.29 18.19 25.96 125.50 -61.22 -102.07 161.29 93.76 5.64 0.60 61.96 30.12 1.73 0.21 0.42 0.00 2.88 2.69 24 E C T 132.61 5.50 14.87 21.96 92.93 -97.88 -63.36 -27.87 66.35 0.39 33.26 3.06 10.03 52.66 2.28 31.52 0.00 0.21 0.24 25 Q C T 131.13 2.53 17.05 19.85 96.08 54.88 -87.33 -3.68 66.70 0.38 32.92 3.11 8.92 53.66 2.75 31.09 0.00 0.20 0.26 26 S C G 34.89 15.76 11.44 26.64 113.77 96.54 -84.41 134.95 59.14 2.29 38.57 20.37 19.02 20.77 4.99 32.35 0.02 0.99 1.48 27 D C C 47.63 11.42 14.61 27.01 107.76 -115.06 -109.24 95.06 98.04 0.22 1.74 93.93 3.75 0.33 1.66 0.12 0.00 0.05 0.16 28 P H H 77.32 7.65 15.66 24.87 93.62 -174.45 -63.17 -33.98 2.69 0.00 97.31 0.52 0.27 1.61 96.86 0.73 0.00 0.00 0.00 29 E H H 127.31 1.72 20.30 20.97 92.01 53.52 -64.56 -40.67 1.01 0.00 98.99 0.13 0.07 0.70 98.32 0.77 0.00 0.00 0.00 30 L H H 28.68 15.03 16.73 32.21 92.27 49.25 -65.81 -41.75 0.33 0.00 99.67 0.06 0.02 0.19 99.07 0.66 0.00 0.00 0.00 31 M H H 12.54 22.20 13.38 35.31 91.64 52.09 -63.16 -41.88 0.31 0.00 99.69 0.05 0.02 0.17 99.18 0.58 0.00 0.00 0.00 32 Q H H 123.04 2.80 20.62 23.99 91.38 51.19 -63.75 -39.14 1.05 0.00 98.95 0.09 0.04 0.82 97.95 1.10 0.00 0.00 0.00 33 H H H 106.24 6.24 20.04 26.89 91.80 52.60 -65.75 -34.57 6.17 0.00 93.82 0.13 0.15 6.13 92.56 1.03 0.00 0.00 0.00 34 L C T 15.19 21.28 14.98 36.32 94.29 45.04 -88.65 -5.38 55.86 0.06 44.08 0.39 1.02 54.59 42.54 1.40 0.01 0.02 0.04 35 G C T 37.60 4.71 24.46 30.15 97.37 -113.43 78.43 26.23 99.35 0.09 0.56 2.55 1.07 95.97 0.27 0.07 0.00 0.05 0.01 36 A C C 7.36 24.82 10.27 34.46 119.28 162.96 -80.39 145.41 84.69 15.24 0.07 82.36 1.03 0.14 0.01 0.04 0.00 16.18 0.24 37 S E E 55.10 5.00 24.73 30.04 132.55 -172.13 -132.07 153.99 7.79 92.08 0.13 7.12 0.63 0.13 0.05 0.07 0.00 91.00 1.00 38 K E E 94.69 14.00 15.70 29.25 111.95 -103.52 -75.47 131.78 6.60 93.20 0.20 5.99 0.42 0.12 0.07 0.09 0.00 92.37 0.94 39 R E E 107.85 8.79 15.76 25.40 109.85 -172.71 -103.94 -22.72 28.90 70.18 0.91 22.07 6.17 1.30 0.23 0.57 0.00 68.98 0.68 40 R E E 143.97 4.16 16.11 21.70 124.80 -24.10 -127.60 136.35 42.86 56.30 0.84 30.51 11.50 1.90 0.19 0.63 0.00 54.09 1.18 41 A C C 52.58 8.81 11.08 21.29 116.14 -126.85 -81.04 140.19 69.41 29.29 1.30 57.77 7.30 2.70 0.24 1.06 0.00 29.58 1.34 42 L C T 111.75 4.92 10.86 17.62 109.28 -103.68 -64.31 134.05 84.34 12.01 3.64 21.52 22.01 41.42 0.38 3.42 0.00 9.79 1.45 43 G C T 65.21 0.71 12.58 12.33 99.21 14.03 84.32 -2.84 91.06 4.90 4.04 15.60 28.34 47.04 0.31 4.16 0.00 3.61 0.94 44 N C S 77.60 6.28 8.87 16.97 125.63 93.78 -112.76 158.20 92.47 4.21 3.32 28.34 39.94 24.10 0.29 3.55 0.00 2.69 1.10 45 N C S 126.82 2.10 13.99 16.91 97.43 -130.80 -86.01 2.50 92.45 6.32 1.23 19.90 50.12 22.49 0.10 1.34 0.00 5.25 0.81 46 F C C 80.71 10.07 13.05 24.45 122.91 88.61 -103.92 146.70 70.74 28.72 0.54 40.70 26.81 4.12 0.07 0.57 0.00 26.02 1.71 47 Y E E 65.93 12.83 16.14 29.89 124.43 -157.12 -114.45 142.43 45.01 54.90 0.08 40.30 2.96 0.29 0.01 0.07 0.00 55.82 0.55 48 E E E 60.92 13.41 19.56 33.24 127.80 -159.76 -122.60 142.79 5.91 94.08 0.01 4.97 0.53 0.03 0.00 0.00 0.00 94.32 0.15 49 Y E E 23.24 19.32 18.37 37.85 128.32 -166.97 -125.90 143.78 0.39 99.60 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.58 0.03 50 Y E E 88.01 10.80 23.70 34.69 121.91 -151.76 -114.68 133.47 0.56 99.44 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.33 0.11 51 V E E 10.13 21.72 13.78 35.70 127.07 -173.04 -122.73 145.27 15.37 84.61 0.02 15.18 0.33 0.03 0.01 0.01 0.00 83.84 0.60 52 D C S 103.47 3.56 22.27 26.39 96.83 -147.13 -91.96 1.34 91.30 8.67 0.03 18.72 70.26 1.15 0.00 0.03 0.00 9.68 0.16 53 D C S 44.09 11.93 16.82 29.74 127.04 87.41 -103.95 152.73 98.72 1.25 0.04 9.76 88.78 0.55 0.01 0.02 0.00 0.75 0.14 54 P C C 51.05 7.28 23.48 31.30 116.14 -94.83 -67.11 149.48 99.63 0.18 0.19 98.44 1.18 0.10 0.15 0.02 0.00 0.06 0.06 55 P H H 11.08 24.10 14.33 38.68 91.05 -113.09 -58.14 -37.64 9.24 0.02 90.74 0.89 1.10 6.90 87.97 3.11 0.02 0.01 0.01 56 R H H 116.91 8.75 22.11 31.22 91.51 56.77 -63.22 -39.21 5.34 0.02 94.63 0.52 0.47 4.20 91.45 3.32 0.02 0.01 0.01 57 I H H 69.13 5.22 24.01 29.50 91.84 49.45 -65.50 -41.64 1.49 0.03 98.49 0.35 0.17 0.93 96.26 2.26 0.00 0.02 0.00 58 V H H 3.26 24.16 18.65 43.05 91.48 49.34 -63.74 -44.15 0.30 0.00 99.70 0.09 0.03 0.13 99.62 0.13 0.00 0.00 0.00 59 L H H 10.98 22.67 19.35 41.53 91.55 49.88 -63.29 -42.29 0.18 0.00 99.82 0.03 0.01 0.10 99.78 0.08 0.00 0.00 0.00 60 D H H 74.11 3.75 24.25 27.57 91.59 50.27 -64.16 -41.38 0.28 0.00 99.72 0.04 0.01 0.18 99.72 0.06 0.00 0.00 0.00 61 K H H 69.46 8.97 21.58 31.14 91.98 49.40 -65.58 -40.41 0.28 0.00 99.72 0.03 0.01 0.18 99.69 0.09 0.00 0.00 0.00 62 L H H 3.60 25.22 13.99 39.62 91.45 50.48 -64.05 -41.02 0.46 0.00 99.54 0.05 0.02 0.30 99.39 0.24 0.00 0.00 0.00 63 E H H 91.05 11.45 17.38 28.90 91.51 54.97 -62.75 -38.11 1.26 0.00 98.74 0.06 0.03 1.09 97.81 1.00 0.00 0.00 0.00 64 R H H 174.22 1.38 20.09 20.67 90.55 54.92 -65.97 -26.28 11.23 0.01 88.77 0.13 0.18 12.07 86.44 1.16 0.01 0.00 0.00 65 R C T 96.70 10.69 15.90 27.36 93.49 52.06 -89.49 -0.38 76.89 0.02 23.08 0.16 0.61 77.21 21.08 0.91 0.00 0.01 0.02 66 G C T 36.83 5.24 21.62 27.61 100.78 -98.21 96.08 9.31 99.89 0.01 0.10 0.50 0.67 98.78 0.03 0.01 0.00 0.01 0.00 67 F C C 19.56 23.62 10.60 33.42 118.59 143.16 -84.87 143.01 82.68 17.31 0.01 82.01 0.49 0.03 0.00 0.00 0.00 17.29 0.17 68 R E E 128.79 4.05 25.09 29.48 122.06 -156.72 -116.73 134.84 12.59 87.40 0.01 11.82 0.51 0.03 0.00 0.01 0.00 87.43 0.20 69 V E E 47.00 20.01 12.97 32.15 110.60 -121.85 -76.79 124.11 0.94 99.06 0.00 0.94 0.02 0.00 0.00 0.00 0.00 99.01 0.04 70 L E E 82.17 6.02 19.11 26.30 100.95 175.42 -96.52 -32.42 1.07 98.92 0.00 0.80 0.13 0.00 0.00 0.00 0.00 99.05 0.00 71 S E E 49.71 4.80 21.63 27.37 141.39 -6.43 -161.12 158.51 0.39 99.60 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.65 0.00 72 M E E 77.22 17.76 11.73 28.74 132.75 -165.29 -143.20 144.64 0.50 99.50 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 73 T E E 71.36 4.04 20.10 25.41 132.90 174.48 -142.05 153.81 1.42 98.57 0.00 1.21 0.07 0.00 0.00 0.00 0.00 98.69 0.02 74 G E E 39.96 10.98 10.87 22.59 130.11 -153.26 -125.68 152.12 12.82 87.16 0.02 10.55 1.32 0.11 0.00 0.02 0.00 87.84 0.15 75 V E E 100.59 3.46 12.89 18.02 117.69 -169.80 -129.99 114.92 35.30 64.06 0.64 24.49 8.91 3.48 0.10 0.62 0.00 61.27 1.12 76 G C T 61.14 0.82 14.44 14.28 109.08 -43.80 61.77 -129.65 97.44 1.23 1.33 5.36 25.87 66.02 0.06 1.56 0.00 0.91 0.22 77 Q C T 134.57 3.93 13.42 18.56 97.22 -15.90 -93.00 4.68 98.05 0.74 1.21 5.82 27.37 64.65 0.05 1.43 0.00 0.54 0.14 78 T E E 52.85 9.30 15.75 26.49 124.02 90.02 -108.79 141.08 23.47 76.36 0.17 16.65 5.93 1.56 0.02 0.16 0.00 75.22 0.47 79 L E E 28.74 16.71 15.42 32.90 122.24 -161.49 -115.97 134.77 2.66 97.34 0.00 2.37 0.10 0.01 0.00 0.00 0.00 97.48 0.04 80 V E E 37.29 11.14 22.35 34.74 120.17 -162.91 -114.16 129.43 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 81 W E E 24.13 20.66 19.19 39.75 122.50 -168.44 -113.64 135.02 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 82 C E E 24.28 12.30 24.18 37.39 123.03 -165.37 -115.66 137.00 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 83 L E E 13.13 21.21 17.74 39.20 123.85 -162.66 -116.70 137.35 0.78 99.22 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.25 0.02 84 H E E 71.30 10.08 20.30 31.00 126.42 -164.54 -122.79 143.00 6.54 93.46 0.01 5.75 0.59 0.04 0.00 0.01 0.00 93.23 0.38 85 K C C 84.76 12.04 13.35 25.81 117.16 -142.39 -99.02 138.02 57.60 42.37 0.03 55.31 0.83 0.11 0.00 0.02 0.00 42.99 0.73 86 E C C 132.69 3.58 15.99 20.77 108.75 -107.18 -72.97 129.31 99.81 0.18 0.00 99.78 0.08 0.02 0.00 0.00 0.00 0.12 0.01