# 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 113.04 6.04 16.60 23.44 108.31 -159.16 -88.77 91.68 99.94 0.05 0.00 99.88 0.08 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 34.91 12.56 13.92 27.24 118.93 -134.03 -90.33 142.35 74.36 25.61 0.03 73.62 0.54 0.11 0.00 0.02 0.00 25.29 0.42 2 K E E 91.70 9.33 20.39 30.06 123.49 -154.36 -114.01 139.53 16.13 83.86 0.02 14.10 1.23 0.06 0.00 0.01 0.00 84.37 0.23 3 L E E 9.64 23.29 15.87 39.30 123.08 -155.13 -117.28 136.14 1.08 98.92 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.94 0.02 4 E E E 54.32 10.23 26.55 37.44 119.78 -156.88 -110.50 131.30 0.23 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.79 0.00 5 I E E 3.42 26.17 17.92 45.10 120.62 -161.61 -114.19 128.86 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 6 T E E 34.98 9.77 26.59 37.24 122.28 -167.76 -118.17 133.42 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 7 L E E 19.15 21.89 15.22 37.13 111.26 -127.35 -78.92 127.49 4.10 95.89 0.02 3.96 0.16 0.01 0.00 0.00 0.00 95.76 0.11 8 K C E 99.94 7.14 21.37 29.00 100.38 -176.69 -95.33 -26.83 58.97 39.53 1.50 31.05 25.96 2.61 0.32 0.95 0.00 38.32 0.80 9 R C S 115.35 5.60 20.25 26.47 134.57 13.04 -140.93 155.40 79.32 15.42 5.26 19.90 53.22 6.86 1.17 3.28 0.03 14.04 1.50 10 S C C 61.01 9.00 17.60 27.06 114.66 -99.03 -73.87 144.68 89.38 5.25 5.37 74.08 10.99 4.13 1.13 4.47 0.00 4.18 1.02 11 V C C 37.82 16.87 12.89 29.56 99.86 -144.93 -93.53 3.30 85.84 5.98 8.18 70.43 8.19 6.25 1.93 6.65 0.00 3.11 3.43 12 I C T 103.22 6.84 14.05 22.71 111.87 124.03 -68.40 131.25 93.15 3.25 3.60 16.18 15.20 61.55 0.71 2.94 0.00 1.84 1.58 13 G C T 65.43 0.71 16.80 15.60 95.14 16.61 81.57 0.04 97.77 0.55 1.68 12.22 20.49 64.89 0.20 1.66 0.00 0.34 0.21 14 R C S 66.99 14.96 7.90 22.33 122.19 122.19 -87.75 149.23 99.28 0.60 0.12 39.75 59.32 0.27 0.05 0.04 0.00 0.15 0.42 15 P C C 72.48 3.04 16.63 20.04 115.23 -101.50 -64.51 151.60 99.51 0.27 0.21 97.95 1.45 0.17 0.14 0.03 0.00 0.07 0.19 16 E H H 138.02 3.22 13.11 18.30 91.27 -109.52 -57.24 -38.83 4.00 0.01 95.99 0.54 0.55 2.57 95.26 1.07 0.00 0.00 0.00 17 D H H 100.77 2.16 17.53 19.82 91.55 54.02 -64.22 -38.87 3.53 0.01 96.46 0.39 0.28 2.57 95.44 1.31 0.00 0.00 0.00 18 Q H H 34.66 15.53 14.95 30.68 92.35 49.39 -66.59 -39.59 1.36 0.02 98.61 0.47 0.15 0.69 97.80 0.87 0.00 0.02 0.00 19 R H H 73.71 14.54 16.36 30.69 91.62 52.73 -62.45 -42.31 0.36 0.01 99.63 0.13 0.05 0.13 99.62 0.07 0.00 0.00 0.00 20 V H H 78.37 2.55 23.45 24.65 91.46 49.91 -63.98 -42.20 0.20 0.00 99.80 0.06 0.01 0.08 99.81 0.03 0.00 0.00 0.00 21 T H H 27.65 11.38 20.37 32.85 91.78 50.23 -63.64 -43.33 0.17 0.00 99.82 0.03 0.01 0.09 99.84 0.04 0.00 0.00 0.00 22 V H H 3.15 25.46 15.20 41.02 91.29 49.75 -63.47 -43.23 0.24 0.00 99.76 0.03 0.01 0.14 99.71 0.11 0.00 0.00 0.00 23 R H H 133.80 6.58 20.88 28.55 91.44 50.84 -62.67 -40.77 0.63 0.00 99.37 0.04 0.02 0.49 99.08 0.37 0.00 0.00 0.00 24 T H H 86.84 3.42 21.58 25.23 90.85 53.69 -65.02 -31.57 4.72 0.00 95.28 0.07 0.10 4.83 94.53 0.47 0.00 0.00 0.00 25 L C T 25.55 18.44 15.65 34.29 92.23 53.22 -82.79 -8.61 66.83 0.02 33.14 0.24 0.94 65.67 32.23 0.89 0.00 0.01 0.02 26 G C T 36.56 4.88 23.99 29.85 97.59 -110.96 85.76 16.50 99.52 0.01 0.47 1.83 1.10 96.73 0.28 0.05 0.00 0.00 0.00 27 L C C 10.81 23.99 9.38 32.74 110.99 151.82 -80.11 120.44 99.13 0.41 0.46 98.15 0.73 0.42 0.20 0.10 0.00 0.12 0.27 28 K C C 145.08 2.30 20.26 22.88 102.10 166.17 -105.30 -15.12 99.40 0.33 0.27 89.55 8.75 1.09 0.09 0.13 0.00 0.12 0.28 29 K C S 115.76 2.57 20.78 23.14 131.56 47.51 -125.35 158.92 92.31 6.83 0.87 24.32 63.96 2.35 0.22 0.50 0.00 0.74 7.91 30 T C T 73.48 9.68 14.45 25.07 112.10 -87.90 -63.09 138.53 98.92 0.50 0.58 0.69 7.65 90.62 0.02 0.57 0.00 0.26 0.18 31 N C T 102.93 5.49 17.48 24.37 92.54 13.74 67.88 21.44 99.43 0.35 0.23 1.70 6.59 91.08 0.00 0.31 0.00 0.27 0.04 32 Q C C 74.38 7.80 17.53 26.70 121.61 131.80 -96.71 143.61 77.28 22.64 0.08 66.46 10.53 0.27 0.01 0.10 0.00 20.91 1.71 33 T E E 60.48 14.24 15.98 30.13 127.88 -155.06 -119.11 144.89 12.78 87.21 0.01 12.85 0.18 0.01 0.00 0.01 0.00 86.28 0.66 34 V E E 32.81 14.37 17.97 33.25 126.93 -167.25 -126.58 140.99 2.46 97.54 0.00 2.18 0.11 0.00 0.00 0.00 0.00 97.68 0.03 35 V E E 72.00 11.07 19.54 31.04 118.50 -150.02 -108.59 126.93 0.56 99.44 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.02 36 H E E 53.51 14.29 15.33 30.16 129.15 -176.87 -128.01 145.87 4.12 95.88 0.00 3.96 0.08 0.00 0.00 0.00 0.00 95.81 0.13 37 E E E 118.78 3.53 21.28 24.88 114.98 -105.58 -72.67 144.84 48.40 51.45 0.15 40.15 5.70 0.63 0.02 0.13 0.00 52.99 0.39 38 D C C 57.38 16.72 11.28 27.29 107.27 -109.76 -71.93 120.01 97.56 2.09 0.35 72.52 23.51 1.69 0.07 0.30 0.00 1.62 0.30 39 N C C 66.77 4.38 17.40 22.86 132.11 157.30 -130.77 170.08 98.95 0.32 0.74 87.07 11.45 0.39 0.69 0.10 0.00 0.09 0.21 40 A H H 87.43 1.74 15.28 17.34 91.65 -96.85 -60.16 -36.26 2.64 0.00 97.36 0.22 0.42 1.79 97.20 0.36 0.00 0.00 0.00 41 A H H 64.67 3.06 17.26 20.71 91.94 53.05 -64.49 -40.43 1.44 0.00 98.56 0.12 0.13 1.10 98.28 0.36 0.00 0.00 0.00 42 I H H 14.70 20.19 12.79 32.72 92.37 47.91 -66.02 -41.79 0.36 0.00 99.64 0.05 0.03 0.23 99.45 0.24 0.00 0.00 0.00 43 R H H 95.59 11.87 17.60 29.56 91.37 52.73 -61.77 -41.92 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 44 G H H 36.05 2.16 22.01 22.74 91.39 50.64 -62.79 -41.83 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 45 M H H 46.11 12.37 19.49 32.40 91.86 50.01 -65.13 -41.07 0.20 0.00 99.80 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 46 I H H 8.19 24.29 14.53 38.71 91.37 51.55 -63.46 -41.64 0.37 0.00 99.63 0.02 0.01 0.27 99.48 0.22 0.00 0.00 0.00 47 N H H 97.90 4.53 20.93 26.31 91.20 53.08 -64.21 -35.18 3.88 0.00 96.12 0.10 0.09 3.84 95.12 0.84 0.00 0.00 0.00 48 K H H 119.99 3.97 20.63 24.79 91.97 51.60 -69.31 -29.56 13.34 0.01 86.65 0.15 0.32 13.70 84.74 1.06 0.01 0.00 0.00 49 V H H 10.34 21.83 13.37 35.48 99.56 42.76 -103.67 0.05 33.25 0.37 66.39 2.98 4.69 25.65 63.36 2.88 0.11 0.12 0.21 50 S H G 50.35 14.36 15.35 29.63 91.94 112.68 -59.75 -31.82 35.47 0.41 64.13 2.33 1.91 30.59 3.50 61.28 0.00 0.29 0.09 51 H H G 141.26 2.23 21.31 23.44 90.66 61.94 -73.25 -15.75 42.59 0.16 57.25 0.52 1.95 39.48 1.19 56.70 0.00 0.10 0.04 52 L H G 42.93 15.51 16.69 32.28 98.30 49.71 -99.27 -8.25 41.97 1.36 56.67 1.57 3.32 35.97 1.00 56.83 0.00 1.22 0.10 53 V E E 9.28 24.47 12.16 36.46 127.27 68.19 -119.88 143.05 6.99 92.91 0.09 5.49 1.55 0.15 0.03 0.05 0.00 92.26 0.47 54 S E E 50.93 5.94 25.10 31.27 122.60 -162.52 -114.90 138.05 1.44 98.55 0.01 1.24 0.08 0.01 0.00 0.00 0.00 98.63 0.03 55 V E E 39.67 20.65 12.67 32.30 123.14 -159.42 -117.82 133.83 1.83 98.17 0.01 1.62 0.11 0.01 0.00 0.00 0.00 98.16 0.09 56 K E E 108.76 4.53 18.27 24.10 125.71 -173.52 -124.19 142.30 6.81 93.17 0.02 6.09 0.43 0.05 0.00 0.01 0.00 93.26 0.15 57 E E E 120.58 6.72 12.01 20.59 114.35 -121.29 -82.49 133.71 21.24 78.71 0.05 20.75 0.44 0.07 0.01 0.02 0.00 78.16 0.54 58 Q C C 113.55 5.45 13.42 20.35 115.08 -139.04 -92.74 127.70 99.72 0.28 0.00 99.74 0.04 0.01 0.00 0.00 0.00 0.20 0.01