# 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 121.79 4.67 11.27 17.45 114.76 -148.95 -92.74 129.13 99.77 0.19 0.04 99.71 0.10 0.05 0.02 0.00 0.00 0.10 0.03 1 A C C 72.98 4.69 8.76 15.31 115.08 -147.56 -88.91 142.48 88.16 6.57 5.27 84.44 1.20 3.59 2.61 1.63 0.00 4.58 1.96 2 K C C 154.61 2.04 9.53 13.23 113.17 -133.48 -90.16 131.57 80.86 11.68 7.46 58.49 14.20 8.11 3.33 4.06 0.00 9.06 2.75 3 R C C 157.77 3.56 9.15 14.73 115.58 -137.73 -97.04 132.86 78.63 13.22 8.15 58.45 13.42 6.54 3.77 4.43 0.01 10.29 3.07 4 T C C 82.31 6.45 9.18 17.23 116.76 -150.25 -98.75 138.09 79.04 13.74 7.22 63.88 9.71 4.91 3.90 3.41 0.00 11.13 3.06 5 K C C 139.20 3.42 12.16 17.35 116.24 -140.22 -95.93 135.35 75.83 16.09 8.08 53.60 16.26 5.77 4.94 3.28 0.02 13.33 2.81 6 K C C 135.92 4.59 11.53 18.14 113.50 -122.08 -86.75 129.56 72.33 19.49 8.18 53.58 12.64 5.66 5.11 3.31 0.02 15.72 3.96 7 V C C 84.34 6.72 10.86 19.13 116.58 -171.12 -108.17 131.38 73.59 18.77 7.65 53.70 13.55 5.18 5.66 2.66 0.02 13.62 5.60 8 G C C 35.29 5.36 14.11 20.65 126.43 12.98 113.67 -175.42 72.83 11.17 16.00 40.76 21.37 11.19 10.21 5.68 0.09 7.50 3.21 9 I C T 105.94 5.24 13.32 19.79 95.69 -50.43 -68.14 -30.28 61.90 5.68 32.42 15.25 15.21 32.33 15.88 15.26 0.34 3.53 2.20 10 T C T 75.10 6.27 12.68 20.20 96.56 56.40 -72.34 -26.87 62.47 5.08 32.46 12.06 12.77 37.18 15.08 17.14 0.32 3.28 2.16 11 G C T 36.38 7.86 12.26 21.26 98.46 59.56 -69.26 -25.94 60.84 6.64 32.52 22.44 15.09 24.32 12.12 19.40 0.13 4.14 2.37 12 K C T 136.45 3.58 13.63 18.44 99.49 64.24 -82.21 -11.48 66.54 10.02 23.43 23.50 17.10 27.02 10.33 12.15 0.20 6.74 2.96 13 Y C C 143.63 4.81 11.95 18.13 104.37 55.63 -96.08 17.10 68.61 14.26 17.13 28.51 17.09 24.39 8.14 8.06 0.24 9.21 4.35 14 G C C 41.36 5.23 12.18 18.80 121.19 -92.68 108.16 176.63 80.66 13.71 5.63 48.25 21.95 10.68 2.44 3.12 0.01 10.15 3.39 15 V C C 98.84 4.93 11.16 17.74 111.87 -70.84 -91.38 123.87 74.04 17.90 8.06 44.83 18.23 11.20 3.90 4.19 0.04 13.36 4.25 16 R C C 168.82 2.52 11.82 15.68 105.51 -140.00 -88.14 55.63 73.82 17.02 9.15 43.73 17.52 12.86 4.93 4.24 0.04 12.83 3.84 17 Y C C 136.62 5.20 10.41 17.05 117.71 66.70 -109.09 133.12 74.37 14.86 10.77 41.61 22.00 11.06 7.68 3.45 0.06 9.97 4.18 18 G C C 34.66 4.23 13.71 19.16 121.63 -60.53 95.04 170.35 84.78 4.47 10.76 62.07 14.87 6.82 9.99 2.03 0.00 2.74 1.47 19 S H H 73.30 3.87 11.71 17.03 93.98 -93.03 -63.00 -34.80 13.97 0.37 85.65 6.47 3.30 4.87 83.14 1.87 0.02 0.19 0.14 20 S H H 74.84 1.43 14.88 15.69 92.62 53.62 -65.35 -39.22 7.65 0.30 92.06 2.91 1.28 3.83 89.64 2.03 0.04 0.18 0.09 21 L H H 68.83 5.85 13.63 21.12 92.29 50.12 -66.56 -39.85 3.43 0.20 96.37 1.69 0.55 1.50 94.26 1.80 0.01 0.14 0.04 22 R H H 84.99 10.12 13.02 24.16 91.91 52.56 -63.61 -40.83 2.22 0.16 97.63 1.15 0.32 0.89 96.63 0.86 0.01 0.11 0.03 23 R H H 134.76 2.49 17.69 20.10 91.98 50.72 -64.54 -40.49 2.27 0.21 97.51 1.04 0.29 0.97 96.87 0.61 0.01 0.17 0.04 24 Q H H 96.59 2.76 18.15 20.77 92.08 50.32 -65.48 -40.43 2.73 0.31 96.95 1.17 0.34 1.23 96.29 0.63 0.01 0.26 0.06 25 V H H 41.49 10.23 15.02 26.71 92.38 49.86 -65.11 -41.78 2.98 0.35 96.67 1.26 0.39 1.33 95.99 0.67 0.01 0.29 0.06 26 K H H 92.99 8.33 16.78 25.99 91.89 52.13 -63.49 -40.66 4.56 0.52 94.92 1.82 0.52 2.17 94.05 0.92 0.01 0.44 0.08 27 K H H 123.73 2.69 18.45 21.23 91.90 50.74 -64.96 -40.04 7.54 0.67 91.79 2.38 0.88 4.30 90.37 1.37 0.03 0.53 0.13 28 L H H 74.18 6.13 16.85 24.10 92.75 49.98 -66.86 -39.50 10.89 1.21 87.90 4.66 1.71 4.90 85.77 1.72 0.04 0.94 0.25 29 E H H 71.28 9.89 15.80 26.59 92.74 52.30 -65.84 -39.39 15.21 2.29 82.50 8.99 2.19 4.97 78.83 2.80 0.03 1.78 0.41 30 I H H 72.15 7.84 15.93 24.96 93.09 51.12 -67.26 -37.68 15.79 3.00 81.21 9.14 2.54 5.43 74.85 4.97 0.05 2.50 0.50 31 Q H H 94.62 5.50 17.07 23.36 94.63 52.21 -74.64 -25.81 19.32 2.56 78.12 9.81 2.83 7.78 70.37 6.56 0.06 2.06 0.51 32 Q H H 87.02 9.26 14.42 24.49 95.36 72.56 -69.76 -24.49 33.12 1.98 64.90 8.80 5.38 19.56 57.13 7.00 0.20 1.35 0.59 33 H C H 112.55 6.62 15.88 23.47 100.07 46.79 -95.38 6.46 51.07 2.87 46.06 13.10 8.14 30.18 39.74 5.90 0.19 1.81 0.95 34 A C C 41.99 9.81 13.86 25.12 116.06 121.54 -77.48 142.81 84.90 9.23 5.87 64.92 14.26 5.45 4.47 1.76 0.00 7.71 1.44 35 R C C 146.29 5.42 16.84 23.95 116.75 -123.57 -94.70 131.79 59.67 38.42 1.91 50.93 5.62 1.78 0.96 0.90 0.00 36.81 3.00 36 Y E E 60.20 13.84 13.37 27.99 131.71 170.68 -133.12 152.59 16.87 82.50 0.63 13.99 2.49 0.56 0.41 0.32 0.00 78.02 4.21 37 D E E 92.68 4.11 19.49 24.39 117.14 -126.60 -97.66 132.49 13.75 86.05 0.20 12.13 0.91 0.11 0.18 0.07 0.00 69.03 17.57 38 C C C 13.25 19.66 8.88 28.39 110.11 -123.25 -76.45 124.04 91.61 8.33 0.06 91.49 0.78 0.13 0.02 0.02 0.00 6.60 0.96 39 S C T 79.93 2.57 17.43 20.63 92.67 -150.69 -70.06 -23.76 99.33 0.26 0.41 0.87 9.87 88.63 0.02 0.38 0.00 0.17 0.07 40 F C T 111.67 6.76 14.84 22.67 100.31 44.54 -84.06 -41.07 99.46 0.13 0.41 0.16 4.96 94.43 0.01 0.34 0.00 0.06 0.04 41 C C T 59.10 7.14 13.14 21.84 102.78 18.54 -109.26 -14.02 99.51 0.16 0.34 0.51 5.15 93.89 0.01 0.32 0.00 0.08 0.03 42 G C C 50.25 3.08 14.79 18.95 96.37 -120.72 79.63 5.77 98.54 1.24 0.21 76.32 15.86 6.33 0.05 0.19 0.00 0.74 0.51 43 K C C 94.90 6.32 13.68 21.88 119.30 137.91 -80.34 146.73 92.05 7.85 0.10 81.35 10.62 0.42 0.03 0.08 0.00 5.97 1.52 44 K E E 124.55 6.63 16.70 24.75 112.85 -126.46 -91.24 125.19 12.73 87.16 0.12 10.96 1.41 0.15 0.08 0.06 0.00 65.29 22.07 45 T E E 37.56 11.68 18.31 30.82 134.10 150.87 -136.75 156.86 28.32 71.64 0.04 25.85 1.76 0.11 0.01 0.03 0.00 71.74 0.50 46 V E E 22.80 20.19 15.41 35.35 124.60 -130.33 -119.70 136.72 11.33 88.61 0.06 10.60 0.64 0.08 0.02 0.03 0.00 86.57 2.06 47 K E E 98.75 7.14 22.94 30.72 125.32 -166.17 -120.00 141.32 7.62 92.35 0.03 7.15 0.39 0.04 0.01 0.01 0.00 91.85 0.54 48 R E E 96.70 14.80 14.21 28.72 111.45 -119.39 -81.53 125.27 13.93 85.99 0.08 12.83 0.85 0.13 0.02 0.05 0.00 84.69 1.43 49 G C E 36.94 6.99 17.04 25.13 102.14 -169.77 -96.83 -32.70 54.11 45.64 0.25 43.10 8.70 1.04 0.04 0.23 0.00 46.27 0.62 50 A C E 56.14 4.50 19.28 24.08 135.33 -12.00 -145.59 160.86 53.57 45.09 1.33 6.71 30.06 19.73 0.10 1.30 0.01 39.31 2.77 51 A C T 63.56 8.22 18.33 27.01 107.58 -50.03 -65.25 125.84 98.35 0.75 0.90 1.34 20.91 76.11 0.03 0.97 0.00 0.49 0.16 52 G C T 16.86 14.18 17.56 32.05 96.98 6.73 86.95 -1.97 98.29 1.27 0.43 2.24 23.23 72.76 0.01 0.54 0.00 1.10 0.10 53 I E E 38.49 11.73 19.81 33.10 121.82 109.86 -112.37 131.66 9.67 90.32 0.01 8.52 0.78 0.03 0.00 0.00 0.00 90.30 0.37 54 W E E 22.09 19.23 17.43 37.20 127.18 -171.55 -122.02 143.73 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.02 55 T E E 44.52 8.97 23.71 33.52 121.84 -153.97 -115.93 134.26 0.34 99.66 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.59 0.06 56 C E E 7.77 19.55 12.30 33.12 109.78 -127.75 -81.98 121.70 16.97 83.02 0.01 16.66 0.37 0.02 0.00 0.01 0.00 82.37 0.57 57 S C T 63.07 5.13 19.06 25.30 94.09 -157.71 -69.25 -29.39 97.68 0.30 2.02 0.52 4.49 92.44 0.04 2.26 0.00 0.20 0.06 58 C C T 73.91 5.73 16.46 23.22 97.58 48.09 -76.79 -39.60 97.82 0.08 2.10 0.16 2.51 95.12 0.02 2.12 0.00 0.04 0.03 59 C C T 57.75 7.16 13.79 22.56 100.98 20.81 -104.71 -8.74 98.50 0.09 1.40 0.39 2.76 95.26 0.03 1.49 0.00 0.05 0.03 60 K C C 150.65 3.22 15.11 19.98 94.15 -126.95 64.35 25.30 98.24 1.38 0.39 50.78 6.93 40.61 0.08 0.28 0.00 1.12 0.20 61 K C C 97.77 5.92 14.95 22.72 121.36 137.18 -91.43 150.29 58.85 41.12 0.02 55.73 2.07 0.09 0.00 0.02 0.00 41.43 0.65 62 T E E 82.29 7.40 16.75 25.67 119.55 -127.75 -99.21 136.87 0.87 99.13 0.00 0.89 0.03 0.00 0.00 0.00 0.00 98.12 0.97 63 V E E 37.40 16.09 13.64 29.88 126.30 -171.01 -122.97 142.59 2.05 97.94 0.00 1.99 0.06 0.00 0.00 0.00 0.00 97.69 0.25 64 A E E 65.90 6.31 18.96 25.98 119.10 -131.89 -91.41 144.06 37.34 62.52 0.14 28.51 6.78 1.11 0.02 0.13 0.00 62.98 0.47 65 G C C 34.55 7.78 18.12 26.74 127.66 44.08 122.02 -175.24 73.21 26.04 0.74 39.05 27.50 7.24 0.09 0.80 0.00 23.93 1.38 66 G C C 31.15 9.75 17.48 27.52 126.81 -109.80 96.28 -175.45 81.20 16.16 2.64 47.38 23.17 11.50 0.39 2.65 0.01 12.01 2.90 67 A C S 53.59 12.32 15.54 27.60 97.33 -65.56 -77.97 -15.89 85.90 10.01 4.09 22.19 39.84 24.62 0.53 3.62 0.01 7.03 2.16 68 Y C S 123.15 8.71 17.43 26.39 105.81 55.57 -97.52 -4.08 79.10 16.22 4.68 23.83 38.16 18.46 1.05 3.49 0.05 10.58 4.38 69 T C C 74.77 6.41 19.80 26.90 115.77 59.73 -108.87 124.02 81.01 15.89 3.10 56.28 18.49 6.20 1.08 2.19 0.01 11.05 4.71 70 V C C 50.15 16.83 12.09 28.22 107.88 -153.35 -89.45 106.33 84.67 12.51 2.82 65.49 12.54 6.43 1.29 1.61 0.00 8.16 4.48 71 S C C 74.55 4.97 17.27 23.14 102.55 137.84 -99.65 7.54 93.55 4.22 2.23 64.75 23.26 5.70 1.10 1.13 0.00 2.24 1.81 72 T C S 54.67 7.60 13.65 22.84 126.33 104.20 -107.59 160.63 91.92 2.42 5.66 32.80 56.97 1.87 5.59 0.55 0.00 0.56 1.65 73 A H H 82.30 2.21 17.05 19.50 91.87 -108.78 -60.18 -37.13 7.37 0.06 92.56 1.60 1.88 4.00 91.44 1.01 0.02 0.02 0.03 74 A H H 50.91 6.60 17.23 24.68 92.03 52.52 -65.25 -39.78 4.95 0.05 94.99 1.18 0.64 3.03 93.93 1.17 0.01 0.03 0.02 75 A H H 16.16 15.04 14.14 30.16 92.12 50.52 -65.16 -40.95 1.84 0.03 98.13 0.68 0.23 0.88 97.28 0.91 0.00 0.02 0.00 76 A H H 45.23 6.53 18.53 26.13 91.80 52.15 -63.74 -41.59 0.75 0.01 99.23 0.27 0.08 0.33 99.03 0.28 0.00 0.01 0.00 77 T H H 74.98 3.03 21.50 23.75 91.99 49.99 -64.76 -41.69 0.76 0.02 99.22 0.25 0.07 0.36 99.14 0.17 0.00 0.01 0.00 78 V H H 46.53 10.51 18.48 29.74 92.14 49.43 -65.05 -42.38 0.52 0.01 99.47 0.15 0.04 0.25 99.46 0.09 0.00 0.00 0.00 79 R H H 92.68 11.08 18.34 29.50 92.02 50.90 -64.16 -41.35 0.38 0.00 99.61 0.10 0.03 0.17 99.64 0.05 0.00 0.00 0.00 80 S H H 54.04 3.44 20.20 23.40 91.57 50.56 -63.90 -41.68 0.52 0.00 99.48 0.13 0.03 0.25 99.54 0.05 0.00 0.00 0.00 81 T H H 60.86 4.61 19.22 24.16 91.89 49.99 -64.80 -41.90 0.34 0.00 99.66 0.07 0.02 0.17 99.70 0.03 0.00 0.00 0.00 82 I H H 49.19 10.29 16.21 27.62 92.02 49.90 -64.67 -41.94 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 83 R H H 116.41 4.39 18.05 22.98 91.59 50.73 -64.14 -41.29 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 84 R H H 132.19 2.01 17.98 19.33 91.81 50.23 -64.61 -41.32 0.32 0.00 99.68 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 85 L H H 73.53 4.94 15.56 21.63 92.04 49.88 -64.83 -41.17 0.39 0.00 99.61 0.05 0.02 0.23 99.63 0.06 0.00 0.00 0.00 86 R H H 111.39 5.13 14.35 20.62 92.03 50.69 -64.73 -40.69 0.71 0.00 99.29 0.12 0.04 0.42 99.29 0.13 0.00 0.00 0.00 87 E H H 110.53 1.91 14.22 16.21 91.85 50.38 -64.90 -40.00 1.64 0.01 98.35 0.26 0.10 1.06 98.29 0.29 0.00 0.00 0.00 88 M H H 115.84 1.75 12.64 14.69 92.67 50.07 -66.83 -38.97 4.12 0.02 95.86 0.64 0.33 2.75 95.71 0.55 0.00 0.01 0.00 89 V H H 96.86 2.96 10.70 14.91 93.77 49.77 -70.79 -32.87 14.62 0.09 85.29 2.41 1.37 9.97 85.38 0.78 0.01 0.03 0.04 90 E H H 139.87 1.58 10.33 12.73 95.93 52.06 -77.61 -18.24 43.68 0.34 55.98 16.10 1.41 23.72 57.51 0.93 0.00 0.11 0.20 91 A C C 75.75 2.86 10.88 15.13 102.23 84.47 -75.45 -0.26 99.75 0.06 0.19 99.27 0.20 0.28 0.20 0.01 0.00 0.03 0.02