# 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 108.09 6.59 16.82 24.28 117.96 -128.04 -90.96 136.56 99.97 0.03 0.00 99.88 0.10 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 54.92 14.61 11.51 25.91 115.75 -108.14 -67.64 148.15 98.51 1.35 0.14 97.90 0.33 0.58 0.03 0.06 0.00 0.88 0.22 2 R C C 135.32 5.48 17.87 24.69 118.89 -137.30 -99.91 139.37 68.26 31.13 0.60 55.83 10.19 1.65 0.18 0.54 0.00 26.84 4.76 3 Q C C 97.87 9.90 17.12 27.70 116.47 -119.53 -86.26 134.90 51.97 47.55 0.48 47.05 3.56 0.59 0.20 0.34 0.00 38.93 9.33 4 I C C 20.45 18.53 12.28 31.15 121.36 -157.37 -114.43 135.34 76.24 23.26 0.50 75.85 1.28 0.35 0.22 0.25 0.00 18.46 3.59 5 S C C 77.34 4.51 19.88 25.47 99.79 -176.11 -101.67 -11.84 98.56 1.25 0.19 55.98 42.21 0.63 0.06 0.10 0.00 0.77 0.24 6 D C S 72.37 4.77 22.10 27.35 119.25 68.18 -112.12 134.12 96.20 2.63 1.17 27.86 68.20 0.43 1.08 0.12 0.00 0.51 1.79 7 I H H 28.89 21.51 13.02 34.18 92.19 -136.87 -60.57 -37.59 1.86 0.00 98.14 0.17 0.22 1.34 97.21 1.04 0.01 0.00 0.00 8 K H H 120.20 4.82 20.94 26.77 91.27 57.16 -62.31 -39.90 0.96 0.00 99.04 0.05 0.05 0.80 97.75 1.34 0.00 0.00 0.00 9 Q H H 75.31 6.20 21.77 28.46 91.76 50.35 -65.97 -39.79 0.23 0.00 99.77 0.02 0.02 0.15 98.74 1.06 0.00 0.00 0.00 10 F H H 4.48 25.21 16.30 41.88 91.31 51.90 -63.02 -43.77 0.09 0.00 99.91 0.01 0.00 0.05 99.81 0.12 0.00 0.00 0.00 11 L H H 26.59 17.87 20.61 38.00 91.41 50.33 -63.21 -42.02 0.09 0.00 99.91 0.01 0.00 0.05 99.78 0.16 0.00 0.00 0.00 12 E H H 104.69 2.75 25.60 27.43 91.71 51.02 -63.88 -41.82 0.27 0.00 99.73 0.01 0.01 0.20 99.52 0.26 0.00 0.00 0.00 13 I H H 24.53 14.45 20.13 35.28 91.75 49.70 -65.52 -40.54 1.12 0.00 98.88 0.03 0.04 1.03 98.45 0.45 0.00 0.00 0.00 14 A H H 4.21 24.27 14.49 39.05 91.04 55.95 -67.90 -26.39 25.20 0.08 74.72 1.22 1.04 23.14 73.24 1.26 0.03 0.03 0.05 15 R C T 136.22 6.93 20.71 28.32 92.84 61.53 -79.98 -11.64 78.83 0.21 20.96 5.76 3.61 68.56 19.72 2.10 0.00 0.09 0.15 16 R C S 96.78 9.31 13.91 24.70 113.78 100.08 -76.25 136.42 95.06 1.64 3.31 18.75 72.10 3.46 2.89 0.52 0.00 0.39 1.88 17 K C T 159.54 2.12 16.34 19.43 93.34 -126.79 -64.52 -27.64 96.99 0.23 2.78 0.87 5.09 91.40 0.93 1.43 0.01 0.11 0.16 18 D C T 96.44 4.83 17.77 23.27 95.72 51.07 -87.56 3.65 98.69 0.08 1.22 1.51 3.74 93.55 0.40 0.73 0.00 0.05 0.04 19 A C C 13.16 22.14 9.07 30.05 113.71 122.09 -75.44 133.42 86.04 11.00 2.96 82.04 3.85 1.00 0.90 2.16 0.00 8.94 1.10 20 T C C 87.11 3.94 22.41 26.79 100.39 174.20 -96.31 -24.18 77.33 20.30 2.37 49.21 25.23 3.30 1.16 1.29 0.00 19.03 0.77 21 S E E 41.03 7.72 24.22 32.68 142.45 2.05 -157.85 157.76 23.21 73.78 3.01 15.51 5.82 2.39 1.27 1.57 0.00 72.91 0.53 22 A E E 13.44 24.23 13.73 37.75 132.33 -170.14 -139.89 144.97 10.03 87.67 2.30 8.56 0.96 0.43 1.39 0.76 0.00 87.65 0.24 23 R E E 102.56 6.74 26.15 33.64 126.73 -166.44 -128.18 139.63 3.69 94.17 2.14 2.99 0.43 0.42 1.54 0.48 0.00 93.93 0.20 24 I E E 33.76 21.30 15.15 36.24 118.17 -150.31 -105.74 128.36 4.46 93.71 1.84 3.72 0.43 0.37 1.42 0.38 0.00 93.50 0.19 25 K E E 85.20 7.21 21.08 28.97 126.22 -173.74 -122.34 142.52 8.03 90.14 1.83 6.89 0.71 0.40 1.37 0.38 0.00 89.93 0.33 26 K E E 112.03 9.46 13.85 24.29 117.73 -135.46 -95.79 133.06 23.21 75.12 1.67 19.24 3.30 0.83 1.02 0.58 0.00 74.14 0.89 27 N C C 55.66 8.66 10.44 20.69 123.58 -158.78 -103.26 162.71 74.66 24.61 0.73 64.58 6.73 1.48 0.23 0.49 0.00 25.57 0.92 28 T C T 121.28 0.90 12.05 12.61 94.64 -104.08 -67.26 -23.49 93.00 3.55 3.44 24.03 26.20 42.92 0.47 3.10 0.00 2.73 0.56 29 N C T 118.27 1.80 11.85 13.92 98.06 54.02 -87.03 -0.21 96.15 0.78 3.07 20.66 26.57 48.67 0.30 3.08 0.00 0.48 0.25 30 K C S 128.29 6.23 12.85 20.31 97.60 -103.71 42.26 23.48 94.18 2.57 3.25 26.42 38.37 29.33 0.27 3.27 0.00 1.83 0.51 31 D C C 60.36 7.56 16.15 25.07 114.45 140.14 -93.34 134.24 76.47 22.56 0.97 38.69 23.15 14.45 0.11 0.96 0.00 21.74 0.89 32 V E E 20.52 17.60 14.45 32.83 119.72 -145.32 -106.18 131.72 22.41 77.54 0.05 19.50 1.95 0.20 0.01 0.03 0.00 77.92 0.38 33 K E E 60.18 10.74 23.05 34.32 124.35 -168.42 -117.28 138.29 2.96 97.04 0.00 2.56 0.17 0.01 0.00 0.00 0.00 97.21 0.05 34 F E E 11.54 22.78 17.57 40.49 126.03 -167.26 -124.50 140.28 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 35 K E E 61.68 10.49 25.41 36.40 120.30 -155.24 -112.98 131.37 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 36 L E E 6.94 23.39 17.13 41.00 123.29 -168.37 -119.00 132.11 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 37 R E E 96.40 7.89 22.95 31.33 117.20 -157.61 -106.95 125.01 2.10 97.90 0.00 1.83 0.13 0.01 0.00 0.00 0.00 97.95 0.08 38 C C C 20.85 15.94 12.36 28.64 130.26 174.32 -123.15 170.83 71.57 28.39 0.04 67.84 1.95 0.14 0.01 0.03 0.00 29.64 0.39 39 S C S 85.46 2.46 16.55 19.49 93.80 -88.00 -64.13 -32.38 99.57 0.29 0.14 1.72 77.22 20.70 0.01 0.12 0.00 0.18 0.05 40 K C S 145.04 2.43 16.02 18.88 103.53 15.19 -106.84 -15.26 99.51 0.37 0.13 1.36 76.16 22.07 0.00 0.11 0.00 0.25 0.04 41 Y E E 83.21 9.01 15.98 26.43 137.89 21.68 -147.22 153.91 32.50 67.46 0.04 26.06 5.08 0.26 0.00 0.04 0.00 68.10 0.46 42 L E E 52.38 13.73 17.59 31.93 119.64 -137.49 -110.75 130.50 1.93 98.07 0.00 1.83 0.06 0.00 0.00 0.00 0.00 98.05 0.06 43 Y E E 27.08 17.46 19.69 37.59 127.16 -171.05 -121.86 141.89 0.54 99.46 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.50 0.00 44 T E E 28.63 14.61 23.45 38.35 121.86 -155.47 -112.86 133.34 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 45 L E E 7.54 23.21 20.46 43.73 120.70 -161.28 -112.78 130.02 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 46 V E E 37.49 11.56 25.69 38.05 118.37 -156.12 -107.48 126.78 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.01 47 V E E 9.35 21.70 14.00 36.07 121.09 -166.23 -109.78 136.80 14.61 85.39 0.01 14.60 0.23 0.01 0.00 0.00 0.00 84.76 0.39 48 A C S 73.21 4.16 20.55 25.53 96.21 -159.65 -81.99 -25.39 98.58 1.38 0.03 10.35 87.66 0.73 0.01 0.02 0.00 1.17 0.06 49 D C C 72.65 4.71 19.28 24.68 115.11 49.39 -120.22 112.56 99.02 0.44 0.54 66.85 30.71 1.53 0.37 0.14 0.00 0.17 0.22 50 A H H 51.09 12.69 12.81 26.08 92.94 -154.72 -62.49 -35.75 3.69 0.01 96.30 0.60 0.62 2.26 94.55 1.96 0.01 0.00 0.00 51 K H H 145.47 1.15 20.84 20.09 91.44 54.42 -63.80 -40.71 2.20 0.00 97.79 0.22 0.24 1.64 95.54 2.34 0.01 0.00 0.00 52 K H H 78.77 7.88 18.81 27.62 91.96 47.72 -66.12 -39.15 1.44 0.01 98.56 0.24 0.15 0.94 96.22 2.44 0.00 0.00 0.00 53 A H H 3.94 23.06 12.15 35.50 91.13 51.94 -62.83 -42.60 1.21 0.00 98.78 0.32 0.13 0.66 98.01 0.87 0.00 0.00 0.00 54 E H H 96.46 4.64 22.15 27.02 91.31 51.45 -63.52 -40.95 0.96 0.00 99.04 0.10 0.04 0.70 97.94 1.23 0.00 0.00 0.00 55 K H H 111.67 2.40 23.13 24.26 91.43 50.45 -64.01 -41.89 0.82 0.00 99.18 0.06 0.03 0.60 96.75 2.56 0.00 0.00 0.00 56 L H H 10.50 20.81 15.53 36.56 91.69 49.81 -64.37 -42.06 0.69 0.00 99.31 0.07 0.03 0.48 96.23 3.18 0.00 0.00 0.00 57 R H H 83.01 16.48 16.97 32.48 90.99 54.09 -62.10 -38.59 1.96 0.00 98.03 0.16 0.10 1.55 92.94 5.25 0.00 0.00 0.00 58 Q H H 139.01 1.27 20.94 20.86 90.86 55.16 -69.28 -25.01 29.06 0.01 70.93 0.33 0.52 29.74 64.63 4.74 0.01 0.00 0.01 59 S C T 63.51 6.23 18.22 25.30 94.84 53.45 -88.94 -7.58 60.09 0.03 39.88 0.94 1.80 57.53 35.97 3.71 0.00 0.01 0.03 60 L C S 17.55 23.20 8.59 30.50 119.00 103.66 -78.06 143.68 99.68 0.23 0.09 11.98 87.59 0.15 0.06 0.01 0.00 0.04 0.17 61 P C C 45.58 7.42 16.69 26.08 114.63 -104.14 -63.32 148.51 99.92 0.06 0.02 99.13 0.69 0.11 0.01 0.01 0.00 0.02 0.03 62 P C T 104.07 4.34 14.18 20.06 92.90 -108.44 -61.48 -26.00 99.59 0.06 0.35 0.76 4.08 94.78 0.03 0.30 0.00 0.03 0.02 63 D C T 118.53 1.49 17.12 18.27 93.51 54.59 -85.56 0.17 99.45 0.15 0.40 0.98 3.56 94.92 0.02 0.40 0.00 0.10 0.02 64 L C C 27.57 20.25 8.61 27.68 118.68 109.01 -87.91 139.39 87.37 12.38 0.25 58.91 27.80 0.83 0.02 0.28 0.00 11.55 0.60 65 T E E 88.03 2.71 23.22 25.47 114.80 -135.71 -96.00 128.81 25.08 74.81 0.11 24.21 0.75 0.14 0.02 0.08 0.00 74.39 0.42 66 V E E 39.52 21.68 10.89 31.22 122.95 -164.04 -116.64 133.54 6.30 93.69 0.01 6.16 0.22 0.01 0.00 0.00 0.00 93.42 0.17 67 T E E 70.73 4.82 21.26 26.75 122.90 -170.73 -120.86 135.21 2.82 97.17 0.00 2.81 0.07 0.00 0.00 0.00 0.00 97.01 0.11 68 E E E 102.13 10.67 15.10 26.53 113.40 -129.61 -87.21 125.38 7.04 92.94 0.02 6.96 0.20 0.02 0.00 0.01 0.00 92.39 0.41 69 V C C 61.92 10.57 13.27 24.93 103.58 -173.95 -96.69 -3.44 64.88 33.78 1.34 54.29 6.06 2.47 0.20 1.14 0.00 35.12 0.73 70 G C C 42.64 4.23 15.45 20.78 121.40 -94.56 104.26 173.52 84.39 13.52 2.09 46.44 28.18 9.59 0.25 2.05 0.00 12.60 0.89 71 K C C 136.62 4.90 11.46 18.44 117.04 -90.05 -97.50 137.25 88.44 8.31 3.25 54.36 25.71 8.50 0.52 2.98 0.00 6.35 1.57 72 K C C 136.56 4.30 10.10 16.54 114.84 -135.08 -89.01 136.57 94.52 3.98 1.50 87.49 2.71 4.67 0.34 0.91 0.00 2.86 1.02 73 A C C 83.89 3.04 12.17 16.87 110.82 -124.26 -83.86 133.27 99.91 0.08 0.01 99.72 0.13 0.09 0.00 0.00 0.00 0.04 0.01