# 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 74.65 10.69 20.73 31.30 117.89 -161.10 -98.00 130.60 99.74 0.26 0.00 99.75 0.06 0.01 0.00 0.00 0.00 0.17 0.01 1 V E E 18.72 20.63 15.02 35.35 122.69 -155.88 -113.44 135.02 17.70 82.29 0.01 18.18 0.21 0.01 0.00 0.00 0.00 81.06 0.52 2 K E E 79.57 8.88 24.03 33.23 119.56 -156.79 -109.32 131.81 5.50 94.50 0.00 4.94 0.30 0.01 0.00 0.00 0.00 94.68 0.07 3 I E E 10.37 24.13 16.79 41.07 120.93 -160.91 -111.87 130.49 1.35 98.65 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.68 0.02 4 R E E 70.23 10.27 26.00 36.66 123.68 -170.17 -120.35 134.95 0.57 99.43 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 5 L E E 15.66 23.21 17.87 40.73 121.50 -157.90 -108.22 133.46 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.00 6 A E E 31.63 10.59 23.61 34.75 131.02 -175.08 -130.10 149.09 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 7 R E E 98.95 14.20 17.51 31.27 114.60 -118.24 -82.95 132.32 1.05 98.94 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.95 0.03 8 F E E 74.22 10.66 16.94 28.52 130.34 173.70 -133.65 155.12 10.93 89.05 0.01 9.83 0.68 0.05 0.00 0.01 0.00 89.22 0.21 9 G E E 35.19 4.81 15.96 22.27 130.80 31.87 117.75 -171.89 36.76 63.18 0.06 26.85 9.36 0.62 0.01 0.07 0.00 62.39 0.70 10 S C C 59.50 5.10 13.38 19.85 125.58 -61.78 -114.26 159.43 65.95 33.79 0.26 55.92 8.71 0.90 0.06 0.24 0.00 30.70 3.45 11 K C S 158.69 2.41 11.32 15.34 96.28 -96.59 -65.27 -32.62 98.44 0.62 0.94 2.08 51.78 44.71 0.03 0.88 0.00 0.38 0.13 12 H C S 167.59 0.74 14.08 13.48 97.01 32.21 -81.54 -16.32 98.61 0.36 1.03 2.18 50.87 45.58 0.03 1.03 0.00 0.22 0.09 13 N C S 79.92 5.66 13.57 20.76 113.63 32.21 -131.76 90.95 71.94 27.68 0.38 20.06 49.62 2.70 0.03 0.41 0.00 25.75 1.43 14 P C C 37.96 13.28 13.45 27.90 115.73 -153.48 -70.53 144.05 54.80 45.17 0.03 50.86 1.60 0.14 0.00 0.03 0.00 47.06 0.31 15 H E E 40.70 12.55 19.63 33.38 129.50 -169.84 -126.69 149.17 2.61 97.39 0.00 2.29 0.15 0.01 0.00 0.00 0.00 97.45 0.10 16 Y E E 36.27 18.69 19.26 37.61 127.28 -156.25 -121.16 142.49 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 17 R E E 51.79 15.02 24.36 38.98 130.90 -172.79 -131.71 145.33 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 18 I E E 9.97 22.47 21.57 44.06 117.83 -142.48 -106.13 128.31 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 19 V E E 11.90 18.41 25.13 43.44 124.95 -169.18 -119.61 138.29 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 20 V E E 10.26 21.11 23.70 44.58 118.90 -151.49 -106.57 129.40 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 21 T E E 12.60 16.62 20.62 37.94 133.39 174.30 -132.47 155.75 4.30 95.69 0.00 4.13 0.09 0.00 0.00 0.00 0.00 95.60 0.18 22 D E E 33.01 10.99 18.83 31.23 113.01 -104.70 -72.00 142.69 25.13 74.74 0.13 23.26 1.73 0.21 0.04 0.08 0.00 73.49 1.18 23 A C T 56.20 10.58 14.60 26.19 92.20 -128.02 -66.26 -20.90 95.76 1.06 3.18 1.44 14.36 80.26 0.39 2.48 0.01 0.68 0.39 24 R C T 175.76 1.35 16.91 17.45 94.37 60.56 -83.37 -10.21 95.59 0.99 3.42 1.97 15.35 78.48 0.55 2.62 0.01 0.61 0.41 25 R C S 100.20 8.81 10.43 20.48 119.01 82.39 -100.73 137.52 92.31 4.14 3.55 26.22 63.09 3.19 1.32 1.81 0.02 1.68 2.66 26 K C C 116.19 4.09 13.58 18.93 114.10 -120.21 -71.12 154.41 93.74 2.93 3.33 85.07 4.02 4.44 1.02 2.29 0.00 1.49 1.67 27 R C T 147.56 7.22 11.16 19.77 94.17 -104.71 -63.14 -26.52 90.71 1.00 8.30 5.24 13.32 70.78 0.78 8.71 0.00 0.55 0.61 28 D C T 110.05 2.18 15.22 17.64 96.40 54.79 -85.09 1.43 90.37 0.56 9.07 2.96 11.64 74.70 0.71 9.36 0.00 0.30 0.34 29 G C S 31.89 10.60 12.98 24.11 100.12 -101.89 82.67 4.47 91.98 2.56 5.46 38.48 44.21 8.78 0.54 5.56 0.00 1.47 0.98 30 K C C 103.95 6.26 17.51 24.79 114.19 127.75 -84.94 134.06 92.27 7.15 0.58 80.70 9.98 1.56 0.14 0.52 0.00 5.46 1.63 31 Y E E 78.77 15.04 14.10 28.91 118.65 -134.54 -95.68 137.06 47.75 52.07 0.18 45.22 1.84 0.26 0.07 0.13 0.00 48.05 4.43 32 I E E 64.46 13.13 17.85 30.92 101.16 -171.17 -93.29 -30.57 37.05 62.90 0.05 26.62 9.93 0.20 0.01 0.04 0.00 62.92 0.28 33 E E E 78.86 8.72 21.61 30.71 134.63 -4.64 -144.81 148.51 4.09 95.86 0.05 3.65 0.39 0.04 0.01 0.03 0.00 95.75 0.13 34 K E E 98.20 12.79 19.39 31.84 111.36 -119.52 -80.32 124.86 1.22 98.77 0.01 1.35 0.03 0.00 0.00 0.00 0.00 98.51 0.09 35 I E E 18.59 19.85 18.30 38.36 100.97 175.81 -99.36 -24.38 4.29 95.68 0.03 3.43 0.67 0.11 0.00 0.02 0.00 95.72 0.06 36 G E E 6.62 14.09 22.21 37.38 145.58 -41.68 166.31 175.80 3.09 96.89 0.02 2.20 0.75 0.11 0.00 0.02 0.00 96.88 0.04 37 Y E E 72.11 13.47 22.69 36.34 134.04 -111.26 -138.75 151.54 2.04 97.95 0.01 1.84 0.18 0.02 0.00 0.01 0.00 97.79 0.14 38 Y E E 39.80 18.05 17.80 35.99 123.85 -147.80 -117.85 136.83 9.26 90.72 0.02 8.46 0.66 0.03 0.01 0.01 0.00 88.51 2.32 39 D C C 35.52 10.15 18.52 30.51 111.14 -161.32 -115.16 107.96 90.38 9.60 0.02 89.11 1.29 0.09 0.00 0.01 0.00 9.13 0.36 40 P C T 52.21 12.80 13.92 27.96 93.44 -166.77 -66.94 -19.77 96.97 1.50 1.53 11.12 19.07 66.45 0.12 1.75 0.00 1.27 0.22 41 R C T 155.86 2.82 15.47 18.94 96.06 58.68 -85.48 -10.07 97.23 0.99 1.78 7.30 25.05 64.62 0.17 1.91 0.00 0.63 0.33 42 K C C 114.68 5.91 11.03 18.63 111.25 81.38 -95.13 110.38 96.27 2.05 1.67 48.75 38.46 8.81 0.24 1.69 0.00 0.90 1.16 43 T C S 97.15 3.91 12.06 17.50 101.05 -156.50 -87.51 -11.24 98.95 0.66 0.39 41.83 50.84 6.32 0.07 0.36 0.00 0.32 0.28 44 T C S 90.46 2.91 14.54 18.39 115.54 43.55 -113.46 110.43 98.01 1.39 0.60 37.44 57.26 3.44 0.08 0.57 0.00 0.72 0.49 45 P C C 63.53 11.06 11.23 23.06 108.86 -123.23 -66.57 138.85 89.66 2.28 8.06 50.15 17.06 20.99 0.63 9.15 0.00 1.53 0.49 46 D C C 87.78 6.70 15.91 23.53 100.43 -151.36 -81.80 -8.17 75.57 13.49 10.94 41.42 15.86 17.99 0.79 11.00 0.00 11.97 0.98 47 W E E 117.21 8.77 17.26 26.78 123.17 47.84 -118.40 136.05 43.83 46.68 9.49 33.65 6.89 4.49 1.46 7.61 0.00 44.37 1.52 48 L E E 29.96 19.65 13.99 33.06 123.05 -167.36 -115.82 134.52 25.53 73.77 0.70 22.64 2.29 0.50 0.31 0.39 0.00 72.26 1.62 49 K E E 112.79 6.13 23.87 31.08 123.84 -164.59 -120.33 135.82 12.89 86.87 0.24 11.58 1.04 0.20 0.15 0.11 0.00 84.53 2.40 50 V E E 14.94 23.38 12.84 35.98 120.23 -153.43 -106.58 133.17 25.61 74.25 0.14 24.54 0.92 0.09 0.11 0.06 0.00 69.36 4.93 51 D C C 63.74 6.52 21.50 28.83 105.44 -132.17 -85.96 102.80 86.49 13.32 0.19 86.53 0.62 0.07 0.12 0.03 0.00 12.19 0.46 52 V H H 54.36 15.36 13.99 29.37 93.92 -168.23 -64.80 -35.34 2.48 0.01 97.51 0.69 0.27 1.21 97.35 0.48 0.00 0.00 0.00 53 E H H 130.34 1.45 21.89 21.60 91.56 54.46 -63.23 -40.93 0.85 0.00 99.15 0.09 0.06 0.60 98.82 0.43 0.00 0.00 0.00 54 R H H 90.32 8.70 19.65 28.99 92.04 48.76 -65.75 -40.18 0.29 0.00 99.71 0.03 0.02 0.18 99.39 0.37 0.00 0.00 0.00 55 A H H 2.59 24.94 13.26 38.53 91.46 51.81 -63.50 -42.74 0.15 0.00 99.85 0.02 0.01 0.08 99.80 0.09 0.00 0.00 0.00 56 R H H 113.40 7.78 21.32 29.58 91.48 51.80 -63.02 -41.54 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 57 Y H H 121.88 2.60 22.98 24.43 91.75 50.29 -64.05 -42.55 0.17 0.00 99.83 0.01 0.01 0.13 99.76 0.09 0.00 0.00 0.00 58 W H H 27.38 17.46 16.88 34.67 92.13 49.80 -64.55 -42.28 0.43 0.00 99.57 0.03 0.02 0.33 99.29 0.33 0.00 0.00 0.00 59 L H H 34.31 18.53 15.06 32.95 91.87 50.55 -64.48 -38.71 1.43 0.00 98.57 0.07 0.06 1.31 97.52 1.04 0.00 0.00 0.00 60 S H H 86.30 2.00 19.27 21.46 90.22 56.36 -67.17 -24.02 11.77 0.01 88.22 0.20 0.31 11.91 86.47 1.09 0.01 0.00 0.00 61 V C T 87.90 5.09 16.90 22.98 95.00 52.44 -93.41 -0.01 80.66 0.04 19.29 0.42 1.95 77.47 19.08 1.02 0.00 0.01 0.05 62 G C T 42.10 5.50 20.04 26.04 100.97 -97.02 94.55 7.16 99.36 0.03 0.61 3.28 2.41 93.70 0.52 0.07 0.00 0.01 0.01 63 A C C 13.79 21.40 11.99 33.01 116.36 154.58 -72.76 143.06 98.57 1.37 0.06 97.33 1.33 0.14 0.02 0.02 0.00 0.81 0.35 64 Q C C 109.96 4.95 25.47 31.14 114.30 -139.73 -103.82 124.68 86.97 13.01 0.02 86.52 1.62 0.05 0.01 0.01 0.00 10.23 1.55 65 P C C 26.18 22.38 13.74 35.32 117.21 -123.65 -69.77 148.58 78.11 21.85 0.04 80.27 0.58 0.03 0.02 0.01 0.00 13.23 5.86 66 T C C 36.08 11.19 17.95 30.16 121.86 -119.00 -77.02 165.13 98.32 1.60 0.08 98.30 0.46 0.03 0.04 0.01 0.00 0.64 0.52 67 D H H 109.14 2.41 19.51 22.26 90.68 -101.96 -59.96 -36.08 1.32 0.00 98.68 0.20 0.22 0.70 98.76 0.12 0.00 0.00 0.00 68 T H H 54.09 7.98 20.02 28.74 91.76 53.17 -64.39 -41.01 0.45 0.00 99.55 0.04 0.03 0.29 99.54 0.10 0.00 0.00 0.00 69 A H H 2.40 25.22 14.91 40.54 91.17 49.43 -64.28 -42.55 0.12 0.00 99.88 0.01 0.00 0.06 99.85 0.06 0.00 0.00 0.00 70 R H H 87.36 13.40 19.65 32.55 91.19 52.13 -61.95 -42.22 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 71 R H H 131.43 2.06 24.31 24.65 91.46 50.42 -63.76 -42.14 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 72 L H H 24.73 13.91 19.46 34.28 91.75 49.59 -64.00 -43.07 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 73 L H H 6.24 23.01 14.78 37.92 91.65 49.31 -63.99 -42.68 0.20 0.00 99.80 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 74 R H H 130.90 5.48 18.41 25.03 91.52 50.10 -63.08 -41.44 0.60 0.00 99.40 0.05 0.02 0.45 99.29 0.19 0.00 0.00 0.00 75 Q H H 125.80 2.17 18.26 20.59 91.35 51.47 -65.22 -33.08 3.51 0.00 96.48 0.07 0.08 3.41 96.21 0.22 0.00 0.00 0.00 76 A C T 37.05 12.02 13.30 26.31 92.85 52.62 -82.72 -7.94 68.05 0.02 31.93 0.29 0.90 65.99 32.22 0.57 0.00 0.00 0.01 77 G C T 48.19 3.30 19.51 23.14 95.40 -112.68 79.01 13.86 98.43 0.02 1.55 1.33 2.10 95.07 1.32 0.15 0.00 0.01 0.01 78 V C C 30.27 15.47 14.19 30.16 98.36 123.10 -84.20 -19.15 83.38 1.10 15.52 35.72 30.98 16.82 8.60 6.68 0.01 0.41 0.78 79 F C S 51.26 17.02 12.52 28.83 118.19 63.16 -104.50 134.29 65.95 8.34 25.71 24.05 25.11 17.78 11.90 12.42 0.61 3.29 4.85 80 R C C 141.04 4.98 15.79 22.08 111.70 -151.23 -89.22 130.62 55.77 3.70 40.53 33.90 11.11 11.44 12.42 27.68 0.02 2.24 1.19 81 Q C C 121.11 4.62 12.99 19.28 110.08 -107.32 -79.95 134.39 58.10 2.96 38.94 29.54 13.14 15.91 10.37 28.30 0.02 1.71 1.01 82 E C C 126.62 4.81 10.85 17.43 110.22 -115.22 -84.63 112.73 69.36 1.38 29.26 55.48 3.09 12.01 7.87 20.14 0.00 0.83 0.58 83 A C C 67.05 6.93 11.33 19.54 108.17 -131.20 -81.24 103.32 99.73 0.04 0.23 99.48 0.17 0.21 0.08 0.03 0.00 0.02 0.01