# 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 M C C 84.63 11.67 12.59 24.51 117.14 -141.18 -91.23 136.37 99.94 0.05 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.02 0.01 1 S C C 67.72 5.64 11.97 19.10 112.29 -153.14 -92.48 139.34 93.14 2.63 4.23 86.15 1.51 6.22 1.08 2.39 0.00 1.69 0.96 2 D C C 109.22 3.77 11.99 17.44 101.45 -134.81 -84.59 1.92 89.64 4.61 5.75 49.09 24.70 15.98 0.81 5.24 0.00 3.00 1.18 3 E C C 122.32 4.54 13.64 19.62 106.99 86.11 -89.04 87.61 88.90 6.18 4.92 47.21 25.65 16.41 0.64 4.51 0.00 4.42 1.15 4 G C C 28.45 11.69 14.20 26.16 124.26 -139.68 114.59 172.82 82.67 15.70 1.63 54.92 18.86 8.25 0.22 1.60 0.00 14.91 1.23 5 Y E E 86.29 11.38 19.21 31.12 122.26 -115.66 -114.72 135.06 46.58 53.34 0.07 35.03 11.30 0.31 0.02 0.07 0.00 50.83 2.44 6 P E E 49.09 11.59 21.67 33.52 114.84 -111.78 -68.75 146.06 38.89 61.09 0.02 36.54 1.59 0.09 0.00 0.02 0.00 61.16 0.59 7 A E E 6.81 23.89 15.91 39.64 129.96 -154.85 -122.49 154.23 12.89 87.10 0.01 12.03 0.50 0.03 0.00 0.01 0.00 87.17 0.26 8 E E E 81.61 7.26 25.97 33.91 121.87 -139.12 -110.80 135.65 3.41 96.59 0.00 3.14 0.13 0.01 0.00 0.00 0.00 96.63 0.09 9 V E E 27.05 20.88 14.36 35.40 109.29 -117.87 -75.71 123.39 0.69 99.30 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.31 0.02 10 I E E 76.41 6.39 20.19 27.76 100.63 174.48 -97.48 -33.25 1.10 98.90 0.00 0.75 0.16 0.01 0.00 0.00 0.00 99.08 0.00 11 E E E 92.49 4.21 22.48 27.31 138.00 -2.61 -152.27 149.72 0.34 99.66 0.00 0.24 0.03 0.00 0.00 0.00 0.00 99.72 0.00 12 I E E 66.93 16.46 12.87 28.83 114.97 -135.88 -103.43 120.74 0.26 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 13 V E E 75.44 6.35 17.26 24.79 103.38 -173.73 -99.15 -16.66 1.08 98.91 0.00 0.88 0.08 0.01 0.00 0.00 0.00 99.01 0.01 14 G E E 31.42 4.98 18.37 24.49 140.84 -31.62 161.09 175.13 3.78 96.22 0.01 2.74 0.72 0.06 0.00 0.00 0.00 96.43 0.04 15 R E E 136.88 6.97 12.66 21.48 122.68 -86.88 -112.27 141.34 11.05 88.90 0.05 10.19 0.70 0.07 0.01 0.03 0.00 87.98 1.02 16 T C E 77.34 6.52 10.41 18.61 117.42 -162.84 -112.22 134.62 50.46 49.19 0.35 42.58 6.48 0.88 0.11 0.28 0.00 47.14 2.53 17 G C T 51.32 1.94 12.44 15.16 121.62 2.35 91.52 -166.99 89.70 4.02 6.27 7.68 36.99 45.38 0.39 5.84 0.00 2.92 0.79 18 V C T 136.08 0.80 11.07 11.79 95.52 -52.67 -71.04 -23.91 93.31 0.60 6.09 2.17 22.93 68.02 0.30 5.96 0.00 0.34 0.28 19 T C T 102.94 2.04 11.02 13.95 99.52 49.63 -93.82 2.94 93.37 1.12 5.50 2.90 15.50 74.59 0.30 5.58 0.00 0.73 0.39 20 G C T 38.64 5.83 12.05 19.41 108.68 -107.64 88.20 0.75 91.13 5.56 3.30 29.20 26.35 35.87 0.38 3.26 0.00 3.76 1.19 21 G C C 38.57 5.69 14.93 21.63 100.12 88.84 -72.19 1.27 79.10 20.14 0.76 53.17 17.72 7.23 0.11 0.77 0.00 19.77 1.23 22 V E E 46.84 11.55 14.18 27.02 122.80 81.96 -110.45 141.33 33.92 66.03 0.05 30.60 2.17 0.13 0.01 0.03 0.00 66.47 0.59 23 T E E 34.80 12.39 17.78 31.38 121.87 -155.27 -110.94 138.39 2.68 97.31 0.01 2.45 0.10 0.01 0.00 0.00 0.00 97.38 0.05 24 Q E E 54.93 11.91 20.25 32.91 120.92 -146.14 -108.10 137.19 0.41 99.59 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 25 V E E 9.79 20.78 16.73 38.09 125.32 -166.00 -120.70 138.28 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 26 K E E 66.83 8.90 24.73 34.39 116.13 -137.56 -94.79 129.80 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 27 V E E 7.81 23.38 15.72 39.30 126.57 -171.11 -121.22 140.94 0.79 99.21 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.27 0.01 28 R E E 89.44 7.72 24.22 32.35 119.87 -155.96 -110.07 132.64 2.02 97.94 0.05 1.80 0.11 0.03 0.01 0.02 0.00 97.93 0.10 29 I E E 28.58 17.28 13.49 31.46 111.05 -128.72 -82.72 123.91 15.73 83.92 0.35 14.45 1.20 0.35 0.12 0.21 0.00 82.97 0.71 30 L C C 76.36 6.62 16.82 24.87 99.93 -173.34 -89.27 -31.05 75.38 22.03 2.59 43.39 25.60 6.97 0.50 1.99 0.00 20.38 1.18 31 E C S 114.81 2.43 16.26 19.22 133.73 5.06 -142.86 154.11 82.00 13.06 4.94 14.61 50.22 18.07 0.75 3.73 0.02 10.27 2.33 32 G C S 50.25 1.81 14.82 16.98 122.63 21.35 83.19 -157.99 84.02 2.81 13.17 14.19 48.88 21.49 1.39 11.15 0.01 1.54 1.35 33 R C T 191.01 1.14 13.52 14.75 94.15 -33.51 -72.37 -19.37 80.20 1.07 18.73 4.81 20.30 54.76 1.43 17.50 0.01 0.57 0.64 34 D C T 70.11 8.35 10.52 20.27 97.37 56.70 -96.13 9.07 81.45 2.17 16.39 10.06 16.33 54.15 1.60 15.63 0.01 1.32 0.91 35 K C T 121.01 6.20 11.42 19.86 110.78 133.74 -64.27 130.53 91.11 3.88 5.01 6.33 8.78 75.99 0.85 4.25 0.00 2.54 1.26 36 G C T 56.13 2.35 16.15 18.87 94.60 19.42 83.09 -0.77 93.90 3.70 2.40 8.41 10.79 74.48 0.22 2.41 0.00 3.31 0.38 37 R C C 107.24 7.28 14.65 23.47 118.39 120.12 -86.20 140.08 78.82 20.64 0.53 68.35 7.60 1.30 0.08 0.52 0.00 21.28 0.87 38 V E E 73.28 11.04 15.17 26.98 120.32 -156.66 -109.91 133.30 6.98 93.00 0.02 6.71 0.29 0.02 0.01 0.01 0.00 92.55 0.41 39 I E E 42.75 13.29 16.19 30.72 121.53 -165.10 -115.32 132.07 0.71 99.28 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.02 40 R E E 121.27 10.19 17.62 28.93 124.84 -164.56 -120.83 134.28 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 41 R E E 79.35 11.08 17.84 29.90 134.60 173.24 -140.86 149.46 1.37 98.62 0.00 1.20 0.05 0.00 0.00 0.00 0.00 98.73 0.02 42 N E E 84.67 6.49 21.16 28.15 112.99 -114.42 -80.70 129.74 4.51 95.48 0.01 3.87 0.29 0.02 0.00 0.00 0.00 95.72 0.09 43 V E E 20.52 21.27 10.60 31.08 118.51 -161.63 -108.33 130.82 18.96 81.00 0.04 18.85 0.51 0.03 0.02 0.02 0.00 78.36 2.20 44 K C S 143.59 2.66 19.80 22.57 102.85 -156.65 -91.53 17.95 67.58 32.37 0.06 33.01 34.28 0.77 0.01 0.06 0.00 30.90 0.97 45 G C S 31.66 3.79 21.06 24.92 140.37 -8.16 154.58 -177.28 85.19 14.80 0.01 3.45 81.00 0.80 0.00 0.01 0.00 14.55 0.19 46 P C C 80.71 5.97 19.35 26.07 114.66 -40.68 -67.63 143.52 84.13 15.85 0.02 77.57 5.53 0.19 0.00 0.02 0.00 16.21 0.49 47 V C C 19.52 22.65 10.56 32.40 121.40 -151.79 -111.07 135.48 56.47 43.50 0.03 58.29 0.71 0.03 0.02 0.01 0.00 25.77 15.16 48 R C C 130.40 3.42 23.10 26.60 128.05 -164.49 -117.77 154.56 60.11 39.85 0.04 61.22 1.19 0.08 0.02 0.02 0.00 18.42 19.05 49 V C T 92.18 8.95 14.25 24.35 108.99 -81.42 -58.88 132.79 98.51 1.27 0.22 0.28 1.87 96.89 0.01 0.14 0.00 0.66 0.15 50 G C T 48.64 3.16 18.89 22.60 95.78 24.16 89.78 -5.54 99.54 0.33 0.13 0.43 2.28 96.91 0.00 0.11 0.00 0.24 0.02 51 D C C 42.33 12.51 14.46 28.24 117.78 131.31 -72.45 147.18 94.83 4.95 0.22 91.06 3.70 0.17 0.04 0.14 0.00 4.56 0.33 52 I E E 78.43 9.66 20.95 31.19 117.92 -135.11 -104.61 128.99 7.01 92.62 0.37 6.94 0.28 0.10 0.24 0.10 0.00 87.88 4.47 53 V E E 13.09 21.87 16.56 38.37 123.33 -167.83 -114.90 136.82 4.84 94.06 1.09 4.32 0.37 0.24 0.80 0.27 0.00 93.61 0.39 54 I E E 61.90 9.50 23.83 33.82 115.62 -145.94 -102.78 124.93 13.97 83.74 2.29 12.92 0.65 0.31 1.58 0.48 0.00 83.66 0.39 55 L C C 16.97 21.74 14.82 36.44 107.61 -149.79 -87.91 112.62 47.54 37.47 14.99 42.51 2.53 1.38 12.42 1.96 0.00 38.10 1.09 56 R H H 117.04 6.11 20.71 27.26 96.22 -149.02 -68.09 -36.15 26.88 4.72 68.40 19.42 4.16 4.15 63.78 3.73 0.01 4.30 0.45 57 E H H 90.74 5.02 19.93 25.35 93.52 52.07 -66.59 -37.31 14.14 1.53 84.33 9.12 2.42 3.51 80.19 3.24 0.01 1.26 0.25 58 T H H 26.79 13.76 15.58 30.12 93.03 52.28 -67.45 -39.42 5.69 0.25 94.06 3.60 0.86 1.60 91.02 2.70 0.00 0.17 0.06 59 E H H 75.30 9.62 17.27 27.66 91.99 53.19 -63.60 -41.45 1.69 0.03 98.29 0.85 0.23 0.64 97.70 0.56 0.00 0.01 0.01 60 R H H 130.81 2.14 20.28 21.37 92.15 49.83 -64.88 -41.18 1.15 0.01 98.84 0.43 0.13 0.54 98.51 0.38 0.00 0.00 0.00 61 E H H 81.43 5.01 18.14 24.04 91.99 49.42 -65.44 -40.74 1.39 0.01 98.60 0.46 0.15 0.70 98.35 0.32 0.00 0.00 0.00 62 A H H 21.97 11.53 13.83 27.05 91.63 51.53 -64.06 -41.21 1.85 0.01 98.14 0.63 0.19 0.88 97.99 0.31 0.00 0.00 0.00 63 R H H 122.49 2.83 17.39 20.44 91.64 51.05 -64.01 -40.70 2.66 0.02 97.32 0.81 0.25 1.38 97.06 0.48 0.00 0.01 0.01 64 E H H 102.23 1.94 16.04 17.60 92.02 50.31 -65.07 -39.94 4.47 0.04 95.49 1.27 0.41 2.46 95.10 0.72 0.00 0.02 0.01 65 I H H 68.07 6.10 12.12 19.95 92.29 50.41 -66.22 -39.47 7.30 0.07 92.62 2.24 0.86 3.90 91.72 1.22 0.01 0.03 0.03 66 R H H 134.48 4.11 11.80 17.22 92.15 51.60 -67.63 -35.77 15.66 0.14 84.21 4.13 1.98 9.00 83.20 1.56 0.02 0.05 0.07 67 R H H 170.30 1.06 11.39 12.34 93.79 52.81 -71.71 -27.69 35.93 0.33 63.73 9.46 4.76 21.21 62.29 1.95 0.02 0.13 0.18 68 R C H 164.62 1.83 9.37 12.36 98.38 60.81 -80.02 -11.49 62.97 0.39 36.64 36.75 1.88 21.96 37.45 1.57 0.00 0.15 0.23 69 R C C 164.21 2.99 10.73 15.25 104.08 76.54 -79.40 50.23 99.92 0.03 0.05 99.79 0.07 0.08 0.03 0.00 0.00 0.01 0.01