# 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 A C C 68.70 5.95 11.06 18.50 115.69 -152.30 -85.13 143.78 99.87 0.09 0.03 99.79 0.09 0.04 0.01 0.00 0.00 0.04 0.01 1 K C C 153.12 2.22 10.23 14.09 113.80 -131.75 -89.31 132.11 85.56 5.74 8.71 79.87 1.65 4.93 5.13 2.51 0.00 3.86 2.05 2 R C C 158.73 3.42 8.49 13.90 114.28 -140.18 -92.93 129.47 78.88 9.95 11.17 56.23 14.08 8.47 5.96 5.31 0.01 7.04 2.90 3 T C C 85.57 5.57 8.97 16.19 114.24 -155.30 -98.37 131.89 74.63 13.64 11.73 56.61 10.92 6.49 6.30 5.64 0.01 10.91 3.11 4 K C C 140.90 3.27 11.43 16.46 114.11 -155.99 -96.07 129.80 70.70 17.13 12.17 49.31 14.83 6.32 7.64 4.80 0.04 13.96 3.10 5 K C C 134.48 4.44 11.21 17.59 113.74 -132.47 -90.94 128.76 68.27 20.85 10.87 49.00 12.53 6.26 7.08 4.17 0.04 16.52 4.40 6 V C C 86.68 6.50 10.66 18.69 115.49 -170.25 -105.53 133.36 70.69 20.23 9.08 48.22 15.32 5.99 6.75 3.06 0.05 14.15 6.46 7 G C C 36.07 5.11 13.84 20.18 125.66 17.20 112.32 -174.82 74.01 11.00 15.00 38.86 22.17 13.64 8.95 5.72 0.09 7.40 3.15 8 I C T 108.50 4.98 13.12 19.28 95.77 -48.78 -69.24 -28.48 69.61 5.69 24.70 15.20 17.94 37.23 12.18 11.48 0.25 3.46 2.26 9 T C T 77.05 5.87 12.41 19.51 98.95 55.00 -78.22 -21.78 69.74 5.68 24.58 12.57 15.15 41.84 11.31 12.79 0.27 3.64 2.44 10 G C C 36.81 7.39 12.05 20.64 99.80 62.57 -67.12 -29.53 66.10 8.05 25.85 25.25 17.13 24.75 8.60 16.35 0.11 4.98 2.82 11 K C T 138.87 3.27 13.64 18.02 99.07 58.66 -80.24 -17.70 68.68 10.96 20.36 21.80 18.23 30.05 7.12 12.10 0.17 7.42 3.11 12 Y C T 142.21 4.93 12.05 18.28 103.67 53.42 -94.32 8.27 68.72 15.03 16.25 25.81 17.53 27.08 6.30 8.87 0.24 9.73 4.45 13 G C C 39.64 5.97 12.05 19.36 118.51 103.58 -83.79 173.45 78.45 15.30 6.25 44.86 22.58 11.51 2.53 3.63 0.02 11.03 3.83 14 V C C 95.54 5.40 11.25 18.21 111.30 -78.94 -91.26 123.35 71.38 19.34 9.28 40.15 19.00 12.87 4.27 4.97 0.07 14.01 4.66 15 R C C 170.60 2.33 12.57 15.95 104.52 -140.26 -86.19 34.65 71.94 17.34 10.72 37.32 20.09 15.48 5.49 5.07 0.07 12.82 3.67 16 Y C C 129.18 5.82 10.82 17.96 114.58 58.12 -105.24 122.96 71.53 15.56 12.91 37.89 21.88 12.24 8.81 4.32 0.10 10.27 4.49 17 G C C 32.01 4.68 13.92 19.94 122.17 -91.63 92.28 170.63 82.38 4.86 12.77 62.24 12.90 6.04 12.08 2.16 0.00 2.96 1.63 18 S H H 72.40 4.02 12.13 17.58 93.58 -90.67 -63.10 -34.67 13.87 0.37 85.76 6.09 3.17 5.35 83.00 2.04 0.02 0.19 0.14 19 S H H 73.66 1.50 15.38 16.21 92.34 53.81 -65.31 -39.24 8.06 0.31 91.63 3.06 1.32 4.07 89.10 2.14 0.04 0.19 0.10 20 L H H 65.70 6.42 13.86 21.92 92.25 50.13 -66.31 -39.94 3.19 0.17 96.64 1.55 0.50 1.40 94.61 1.76 0.01 0.12 0.04 21 R H H 84.62 10.29 13.37 24.63 91.84 52.35 -63.45 -40.97 1.97 0.11 97.91 0.99 0.28 0.81 97.07 0.74 0.00 0.07 0.02 22 R H H 135.00 2.45 18.12 20.35 92.05 50.75 -64.53 -40.48 1.95 0.13 97.92 0.85 0.24 0.85 97.42 0.51 0.00 0.09 0.03 23 Q H H 95.36 2.92 18.35 21.20 92.04 50.14 -65.35 -40.70 2.31 0.19 97.50 0.95 0.28 1.05 97.03 0.50 0.01 0.15 0.04 24 V H H 40.14 10.66 15.13 27.15 92.38 49.94 -64.94 -41.77 2.33 0.19 97.48 0.93 0.29 1.07 97.03 0.49 0.01 0.14 0.03 25 K H H 94.21 7.79 17.09 25.77 91.83 51.99 -63.47 -40.66 3.41 0.26 96.33 1.28 0.37 1.64 95.78 0.67 0.01 0.21 0.05 26 K H H 122.85 2.56 18.60 21.10 91.92 50.74 -64.97 -40.05 5.53 0.35 94.13 1.61 0.60 3.20 93.25 0.98 0.02 0.27 0.07 27 L H H 72.20 6.23 16.75 24.19 92.61 49.86 -66.80 -39.46 7.89 0.60 91.51 3.16 1.16 3.72 90.06 1.29 0.03 0.44 0.13 28 E H H 71.78 9.64 15.68 26.29 92.54 52.22 -65.40 -39.70 11.37 1.39 87.23 6.41 1.58 4.11 84.20 2.33 0.03 1.07 0.27 29 I H H 78.00 6.52 16.28 23.98 92.89 50.34 -66.99 -37.97 12.74 1.84 85.42 6.64 1.98 5.07 80.21 4.22 0.05 1.48 0.36 30 Q H H 92.46 5.50 16.75 23.18 94.53 51.43 -76.00 -24.73 17.08 1.47 81.45 7.76 2.41 7.73 74.89 5.71 0.05 1.09 0.36 31 Q H H 87.08 9.46 14.27 24.52 94.73 73.06 -68.77 -25.86 32.32 1.20 66.48 6.76 4.69 21.51 59.65 6.05 0.17 0.72 0.45 32 H C H 115.42 6.08 15.89 22.98 99.96 46.97 -96.40 3.61 51.24 1.89 46.86 10.47 7.21 33.54 41.69 5.13 0.14 1.05 0.76 33 A C C 42.20 9.59 13.82 24.95 116.33 120.54 -77.22 144.03 87.11 7.59 5.30 65.59 16.44 5.06 4.02 1.58 0.00 5.88 1.45 34 R C C 147.16 5.27 17.01 23.96 116.19 -125.78 -92.94 130.90 62.52 35.55 1.92 53.54 5.77 1.90 0.93 0.93 0.00 33.75 3.19 35 Y E E 57.26 14.47 13.26 28.36 130.89 172.25 -130.59 151.95 19.36 79.95 0.69 16.04 2.86 0.65 0.44 0.37 0.00 74.78 4.87 36 D E E 91.52 4.24 19.80 24.80 117.30 -128.22 -99.35 131.96 15.57 84.22 0.22 13.59 1.00 0.12 0.20 0.08 0.00 65.22 19.80 37 C C C 12.86 19.84 9.10 28.84 110.03 -123.83 -76.54 123.69 91.79 8.16 0.06 91.63 0.83 0.13 0.02 0.03 0.00 6.37 1.00 38 S C T 78.26 2.87 17.67 21.22 92.77 -151.58 -69.92 -23.08 99.26 0.30 0.44 0.92 10.38 88.00 0.02 0.41 0.00 0.19 0.08 39 F C T 110.33 7.04 15.03 23.09 100.35 44.03 -84.49 -40.92 99.42 0.13 0.45 0.18 5.31 94.02 0.01 0.38 0.00 0.07 0.04 40 C C T 58.66 7.28 13.29 22.12 102.75 18.58 -109.18 -14.21 99.46 0.17 0.37 0.56 5.58 93.36 0.01 0.36 0.00 0.09 0.04 41 G C C 49.79 3.16 14.99 19.19 96.40 -120.63 79.83 5.58 98.29 1.48 0.23 74.91 16.56 6.79 0.05 0.21 0.00 0.88 0.60 42 K C C 93.80 6.58 13.72 22.16 118.90 138.46 -79.58 145.72 91.63 8.24 0.12 80.00 11.49 0.50 0.03 0.10 0.00 6.06 1.82 43 K E E 126.12 6.68 16.59 24.68 109.62 -129.36 -92.73 107.89 16.66 83.18 0.16 14.05 2.13 0.22 0.10 0.08 0.00 60.01 23.41 44 T E E 39.67 11.07 18.95 30.83 133.07 156.59 -135.49 158.38 33.07 66.88 0.05 29.78 2.38 0.14 0.01 0.04 0.00 67.11 0.54 45 V E E 21.13 21.06 15.14 35.79 124.71 -133.19 -117.76 136.64 11.71 88.23 0.05 11.05 0.61 0.07 0.02 0.03 0.00 86.48 1.74 46 K E E 96.94 7.07 23.42 31.09 126.21 -167.26 -122.46 143.18 6.21 93.76 0.02 5.91 0.28 0.03 0.01 0.01 0.00 93.24 0.51 47 R E E 99.47 14.65 14.67 29.02 111.81 -117.33 -80.02 126.18 11.85 88.08 0.07 10.98 0.68 0.10 0.02 0.04 0.00 87.02 1.17 48 G C E 34.47 7.97 16.55 25.58 103.68 -167.38 -96.03 -30.69 52.89 46.82 0.29 43.51 7.07 0.98 0.04 0.26 0.00 47.52 0.62 49 A C E 58.77 4.37 18.91 23.63 130.34 -17.03 -141.25 159.28 52.67 45.62 1.71 7.48 27.59 20.80 0.12 1.71 0.01 39.69 2.60 50 A C T 65.69 7.76 18.22 26.44 106.86 -48.86 -66.03 123.47 97.84 0.83 1.33 1.95 21.89 73.85 0.05 1.51 0.00 0.54 0.19 51 G C T 17.96 13.70 17.54 31.59 96.78 -1.56 87.71 -2.12 97.93 1.42 0.65 3.07 25.98 68.77 0.02 0.82 0.00 1.22 0.14 52 I E E 37.55 12.11 19.59 33.21 121.83 111.42 -110.81 132.64 12.47 87.52 0.01 11.02 0.96 0.04 0.00 0.01 0.00 87.58 0.40 53 W E E 22.17 19.27 17.70 37.44 126.02 -171.02 -119.55 141.57 0.52 99.48 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.02 54 T E E 43.76 9.16 23.73 33.70 122.55 -152.75 -116.03 134.45 0.28 99.72 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.64 0.06 55 C E E 7.75 19.54 12.42 33.25 109.60 -126.74 -81.91 121.52 14.68 85.31 0.01 14.43 0.33 0.02 0.00 0.01 0.00 84.72 0.49 56 S C T 62.29 5.26 19.07 25.49 93.97 -157.70 -69.10 -29.33 97.64 0.28 2.08 0.47 4.13 92.83 0.04 2.30 0.00 0.18 0.05 57 C C T 73.46 5.82 16.53 23.37 97.83 47.36 -76.45 -39.73 97.72 0.08 2.20 0.14 2.34 95.21 0.02 2.22 0.00 0.04 0.02 58 C C T 57.98 7.09 13.85 22.55 101.06 21.13 -104.68 -9.45 98.42 0.09 1.49 0.36 2.60 95.37 0.03 1.58 0.00 0.05 0.02 59 K C C 151.06 3.22 15.04 19.90 94.16 -126.57 64.77 25.15 98.45 1.17 0.38 48.31 6.63 43.59 0.08 0.27 0.00 0.96 0.17 60 K C C 99.03 5.68 15.01 22.54 121.81 136.04 -93.09 150.36 56.60 43.37 0.02 53.28 2.16 0.10 0.00 0.02 0.00 43.76 0.68 61 T E E 82.75 7.31 16.60 25.47 118.71 -128.41 -98.38 136.50 0.82 99.18 0.00 0.83 0.03 0.00 0.00 0.00 0.00 98.10 1.04 62 V E E 37.41 16.20 13.47 29.78 126.03 -170.58 -122.80 141.12 2.49 97.51 0.00 2.40 0.08 0.00 0.00 0.00 0.00 97.27 0.25 63 A E E 67.60 5.94 19.14 25.83 119.71 -134.31 -91.74 144.27 37.89 61.98 0.13 29.40 6.55 0.93 0.02 0.12 0.00 62.52 0.46 64 G C C 33.67 8.30 17.81 26.96 129.23 56.38 128.16 -176.07 72.74 26.57 0.69 42.09 24.96 6.12 0.09 0.74 0.00 24.59 1.40 65 G C C 32.13 9.60 17.56 27.46 126.83 -117.36 103.79 -176.65 80.21 17.36 2.42 46.75 23.33 11.15 0.37 2.39 0.01 12.98 3.01 66 A C S 54.41 11.97 15.68 27.43 99.30 -63.01 -79.51 -17.69 84.56 11.39 4.05 23.80 38.89 22.81 0.57 3.53 0.01 8.01 2.39 67 Y C S 123.20 8.82 17.53 26.51 105.18 54.49 -95.61 -7.35 78.68 16.53 4.79 24.19 38.47 17.40 1.14 3.50 0.06 10.84 4.42 68 T C C 72.04 6.94 19.95 27.48 115.25 54.37 -109.37 119.94 79.83 16.53 3.63 52.62 19.92 7.43 1.24 2.55 0.01 11.35 4.89 69 V C C 49.17 17.08 12.79 29.07 106.03 -154.73 -87.87 86.54 83.49 12.90 3.61 59.46 14.75 9.32 1.54 2.12 0.01 8.42 4.38 70 S C C 70.68 6.09 17.42 24.28 102.18 102.37 -96.78 9.62 92.50 4.58 2.92 61.32 23.14 8.19 1.33 1.59 0.00 2.48 1.94 71 T C S 53.78 7.91 14.00 23.43 125.81 111.57 -102.09 159.43 91.89 2.53 5.58 35.18 54.64 1.84 5.45 0.57 0.00 0.59 1.72 72 A H H 81.87 2.28 17.31 19.85 92.02 -108.76 -60.24 -37.31 7.50 0.07 92.43 1.59 1.89 4.13 91.26 1.06 0.02 0.02 0.03 73 A H H 50.80 6.75 17.42 25.04 91.99 52.60 -65.34 -39.70 5.25 0.06 94.70 1.22 0.67 3.25 93.56 1.23 0.01 0.03 0.02 74 A H H 15.30 15.54 14.26 30.66 92.19 50.46 -65.13 -40.97 2.00 0.03 97.96 0.75 0.25 0.96 97.05 0.96 0.00 0.02 0.01 75 A H H 45.15 6.65 18.80 26.49 91.84 52.20 -63.69 -41.51 0.80 0.01 99.19 0.30 0.08 0.34 98.97 0.29 0.00 0.01 0.00 76 T H H 74.52 3.12 21.74 24.08 92.00 50.02 -64.84 -41.71 0.79 0.02 99.19 0.27 0.07 0.37 99.10 0.18 0.00 0.01 0.00 77 V H H 44.34 11.07 18.61 30.37 92.18 49.42 -65.11 -42.38 0.54 0.01 99.45 0.16 0.04 0.26 99.44 0.10 0.00 0.00 0.00 78 R H H 92.22 11.27 18.60 29.89 92.04 50.93 -64.10 -41.37 0.41 0.00 99.58 0.12 0.03 0.18 99.60 0.06 0.00 0.00 0.00 79 S H H 53.56 3.47 20.42 23.63 91.55 50.41 -63.90 -41.72 0.57 0.00 99.42 0.16 0.04 0.27 99.48 0.05 0.00 0.00 0.00 80 T H H 59.63 4.86 19.33 24.60 91.83 49.97 -64.80 -41.87 0.36 0.00 99.63 0.08 0.02 0.18 99.68 0.04 0.00 0.00 0.00 81 I H H 47.28 10.70 16.25 28.05 91.99 50.07 -64.60 -41.93 0.20 0.00 99.80 0.04 0.01 0.10 99.82 0.03 0.00 0.00 0.00 82 R H H 117.52 4.25 18.29 23.08 91.62 50.73 -64.15 -41.23 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 83 R H H 132.25 2.07 18.13 19.56 91.78 50.27 -64.63 -41.38 0.34 0.00 99.66 0.05 0.02 0.21 99.68 0.05 0.00 0.00 0.00 84 L H H 71.52 5.32 15.55 22.05 92.05 49.86 -64.81 -41.08 0.42 0.00 99.58 0.06 0.02 0.25 99.60 0.07 0.00 0.00 0.00 85 R H H 111.88 5.17 14.53 20.81 92.07 50.78 -64.69 -40.73 0.80 0.00 99.19 0.14 0.05 0.48 99.17 0.16 0.00 0.00 0.00 86 E H H 111.00 1.89 14.35 16.26 91.91 50.33 -64.90 -39.93 1.93 0.01 98.06 0.30 0.12 1.26 97.96 0.35 0.00 0.00 0.00 87 M H H 114.85 1.86 12.60 14.88 92.57 50.11 -66.94 -38.29 4.82 0.02 95.15 0.78 0.40 3.22 94.92 0.66 0.00 0.01 0.01 88 V H H 96.44 3.11 10.64 15.00 93.67 50.00 -70.82 -32.18 16.99 0.13 82.89 3.06 1.68 11.40 82.81 0.92 0.02 0.05 0.06 89 E H H 140.80 1.54 10.42 12.74 95.88 52.76 -77.58 -17.79 46.44 0.40 53.16 17.79 1.45 24.59 54.79 1.01 0.00 0.14 0.23 90 A C C 75.30 2.96 10.74 15.14 102.11 88.03 -75.92 37.90 99.79 0.06 0.15 99.45 0.16 0.20 0.14 0.01 0.00 0.03 0.01