# 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 V C C 86.06 7.07 10.48 18.96 116.01 -165.94 -101.46 129.73 99.75 0.13 0.12 99.60 0.15 0.09 0.07 0.01 0.00 0.06 0.02 1 E C C 141.18 2.14 9.57 13.38 115.36 -145.30 -93.31 129.76 85.96 1.90 12.14 81.58 1.38 3.64 9.97 1.65 0.00 1.02 0.77 2 Q C C 127.54 3.08 7.71 12.81 114.61 -144.26 -92.95 130.79 79.43 2.20 18.37 64.16 8.60 5.99 15.44 3.73 0.00 1.25 0.83 3 K C C 143.36 2.92 8.80 13.47 113.76 -130.90 -86.66 132.88 74.39 2.21 23.40 59.83 7.56 6.50 18.97 5.01 0.00 1.25 0.86 4 K C C 138.92 3.61 8.78 14.22 114.34 -133.13 -90.89 134.99 69.25 1.99 28.76 52.90 8.73 7.36 22.89 6.23 0.00 1.05 0.83 5 K C C 137.44 3.62 9.59 15.07 113.13 -137.46 -87.22 133.51 64.91 2.03 33.05 45.08 10.14 9.57 25.34 7.93 0.01 1.05 0.87 6 R C C 149.01 4.44 10.06 16.27 111.58 -142.67 -88.02 128.78 65.26 2.46 32.28 42.04 12.03 11.30 23.26 9.03 0.02 1.26 1.06 7 T C C 79.93 5.87 10.84 18.30 114.87 -155.95 -101.58 132.88 68.41 3.65 27.94 42.20 14.52 11.91 19.47 8.43 0.03 1.86 1.59 8 F C C 111.74 7.84 10.12 19.22 113.35 -140.75 -93.12 128.18 73.76 4.51 21.72 44.92 18.36 10.66 14.28 7.40 0.02 2.22 2.14 9 R C C 140.67 5.17 12.19 19.00 113.33 -143.55 -91.42 130.70 81.72 3.73 14.56 58.58 13.43 9.46 8.94 5.85 0.00 2.22 1.52 10 K C C 135.17 4.31 13.41 19.37 114.30 -140.28 -94.39 128.97 83.26 5.98 10.77 60.04 15.18 7.77 6.42 4.56 0.01 3.63 2.41 11 F C C 91.39 10.49 11.29 22.62 119.26 -157.76 -106.17 137.38 84.14 10.51 5.36 69.23 10.89 3.38 3.55 2.06 0.00 6.63 4.26 12 T C C 76.69 6.31 14.27 22.12 122.56 -160.40 -114.00 139.93 81.03 15.46 3.51 65.36 12.09 2.92 2.17 1.54 0.00 11.66 4.27 13 Y C B 89.39 11.80 10.67 23.07 117.82 -166.36 -114.71 121.23 48.47 46.42 5.11 26.17 15.38 5.85 2.89 2.30 0.36 18.72 28.34 14 R C T 164.66 3.82 13.84 19.19 96.08 -26.90 49.11 49.05 94.49 2.11 3.40 4.72 10.72 79.24 1.04 2.10 0.00 1.33 0.84 15 G C T 59.08 2.01 14.22 16.73 96.01 -49.79 83.03 1.90 97.15 0.91 1.94 4.82 13.61 78.88 0.40 1.38 0.00 0.67 0.24 16 V E C 48.13 11.29 9.89 22.48 122.53 111.68 -106.06 140.30 49.05 49.98 0.97 31.12 17.83 1.10 0.72 0.37 0.01 19.99 28.87 17 D C C 75.26 3.22 17.86 21.19 115.26 -119.97 -77.22 147.54 87.97 11.59 0.43 87.32 1.21 0.28 0.30 0.10 0.00 8.61 2.18 18 L H H 62.62 14.33 11.16 25.58 92.57 -123.09 -58.70 -38.11 4.73 0.04 95.23 0.81 0.52 3.22 89.81 5.60 0.01 0.02 0.01 19 D H H 98.74 2.32 17.08 19.48 91.78 54.96 -64.63 -37.57 2.82 0.02 97.16 0.26 0.21 2.22 90.80 6.49 0.01 0.01 0.00 20 Q H H 91.23 3.41 17.16 21.04 92.53 49.44 -67.47 -37.59 1.39 0.01 98.60 0.14 0.10 1.02 92.20 6.52 0.00 0.01 0.00 21 L H H 18.43 18.58 11.25 29.74 91.92 53.23 -64.64 -39.39 2.58 0.01 97.41 0.25 0.19 1.92 90.31 7.32 0.00 0.01 0.00 22 L H H 77.29 9.82 15.20 25.91 91.05 56.45 -68.13 -23.73 36.71 0.03 63.26 0.47 0.75 36.95 56.78 4.99 0.02 0.01 0.03 23 D C T 116.94 1.15 18.10 17.89 94.13 55.34 -88.04 -3.68 68.86 0.03 31.11 0.99 1.75 67.48 26.20 3.53 0.00 0.01 0.04 24 M C S 41.72 14.67 8.17 22.96 121.43 102.75 -80.23 149.74 98.74 0.81 0.45 29.33 68.84 0.53 0.36 0.07 0.00 0.18 0.68 25 S C C 58.76 2.14 18.51 19.66 120.20 -110.14 -72.55 161.74 97.77 2.06 0.17 97.67 0.35 0.06 0.11 0.01 0.00 0.39 1.42 26 Y H H 135.44 7.84 12.26 21.41 91.26 -104.78 -58.62 -38.71 0.98 0.00 99.02 0.16 0.12 0.54 98.94 0.23 0.00 0.00 0.00 27 E H H 132.01 1.39 17.31 17.84 91.68 53.33 -63.83 -40.49 0.27 0.00 99.73 0.02 0.02 0.19 99.59 0.19 0.00 0.00 0.00 28 Q H H 74.27 6.74 16.41 24.43 91.73 49.04 -65.30 -40.19 0.10 0.00 99.90 0.01 0.01 0.06 99.74 0.18 0.00 0.00 0.00 29 L H H 27.10 16.20 13.91 30.61 91.74 50.99 -63.62 -41.87 0.06 0.00 99.94 0.00 0.00 0.04 99.89 0.06 0.00 0.00 0.00 30 M H H 83.59 5.59 19.54 25.64 91.52 50.83 -63.81 -40.83 0.14 0.00 99.86 0.01 0.00 0.11 99.80 0.08 0.00 0.00 0.00 31 Q H H 96.89 3.53 21.44 24.87 91.68 50.42 -64.80 -41.01 0.83 0.00 99.17 0.02 0.02 0.79 98.96 0.20 0.00 0.00 0.00 32 L H H 23.34 15.69 17.62 33.83 91.97 50.17 -64.22 -42.53 0.76 0.00 99.24 0.06 0.04 0.59 99.03 0.28 0.00 0.00 0.00 33 Y H H 71.64 11.24 20.22 31.90 91.66 50.37 -63.57 -42.16 0.67 0.00 99.33 0.11 0.05 0.41 99.17 0.25 0.00 0.00 0.00 34 S H H 51.47 3.70 21.95 25.29 91.71 50.05 -64.19 -41.39 1.34 0.00 98.66 0.22 0.09 0.88 98.51 0.30 0.00 0.00 0.00 35 A H H 26.01 8.36 18.54 28.78 91.77 50.77 -63.93 -41.40 1.34 0.00 98.66 0.19 0.09 0.89 98.42 0.41 0.00 0.00 0.00 36 R H H 65.45 13.17 17.55 30.99 92.14 50.62 -64.36 -40.82 1.49 0.00 98.50 0.24 0.12 0.95 98.15 0.54 0.00 0.00 0.00 37 Q H H 82.80 5.67 18.86 25.18 91.82 51.36 -63.93 -40.57 2.63 0.01 97.36 0.45 0.21 1.75 96.67 0.92 0.00 0.01 0.00 38 R H H 128.28 3.00 18.78 21.66 92.15 50.81 -65.47 -38.97 5.94 0.03 94.03 0.92 0.52 4.21 92.78 1.53 0.01 0.01 0.01 39 R H H 82.85 9.37 14.97 25.50 92.74 52.25 -67.63 -37.02 12.67 0.15 87.18 2.91 1.62 8.23 84.15 2.92 0.04 0.07 0.07 40 R H H 110.05 8.60 14.61 24.10 92.94 56.26 -66.26 -36.48 22.59 0.55 76.86 7.73 3.37 12.65 71.16 4.49 0.06 0.28 0.26 41 L H H 109.90 3.23 14.91 18.77 94.54 53.78 -73.52 -24.01 33.80 0.95 65.25 11.91 5.98 17.62 58.87 4.60 0.09 0.45 0.48 42 N C H 98.91 4.06 13.34 18.61 101.96 56.88 -90.21 12.90 55.47 1.21 43.33 21.91 10.60 23.92 38.48 3.92 0.05 0.50 0.63 43 R C T 136.43 5.80 12.34 19.51 103.13 82.46 -85.45 23.48 71.30 1.05 27.64 17.52 16.50 37.15 23.47 4.27 0.05 0.44 0.60 44 G C T 36.77 6.05 14.85 22.15 113.60 -105.74 89.41 -26.31 76.57 1.17 22.26 28.05 16.02 32.82 17.39 4.57 0.02 0.51 0.62 45 L C C 71.58 11.04 12.01 23.51 105.19 -9.00 -81.00 72.52 60.45 1.60 37.95 45.85 6.48 7.89 33.51 4.80 0.00 0.78 0.69 46 R H H 127.74 6.27 14.80 22.28 99.97 74.20 -73.07 -31.98 43.69 1.67 54.64 29.05 6.87 9.14 48.59 4.84 0.02 0.87 0.61 47 R H H 148.98 3.64 15.41 20.00 95.38 41.01 -69.29 -35.53 29.02 0.89 70.09 16.94 5.45 8.52 63.51 4.77 0.02 0.46 0.33 48 K H H 109.41 5.51 17.02 23.38 94.10 55.21 -69.49 -36.97 17.39 0.39 82.22 10.35 3.12 5.14 77.33 3.70 0.01 0.21 0.13 49 Q H H 52.96 14.59 14.87 29.34 92.89 52.94 -65.21 -39.94 12.01 0.21 87.78 6.31 1.79 4.38 84.56 2.76 0.01 0.11 0.08 50 H H H 92.25 6.73 18.66 26.16 92.26 52.28 -64.84 -39.06 8.28 0.09 91.62 3.52 1.23 3.67 89.59 1.90 0.01 0.04 0.04 51 S H H 46.14 4.03 20.47 24.88 91.76 52.69 -64.25 -40.95 4.11 0.04 95.86 1.78 0.52 1.71 95.17 0.79 0.00 0.01 0.01 52 L H H 24.36 15.23 17.72 33.62 92.01 51.01 -64.60 -42.47 1.32 0.01 98.67 0.43 0.14 0.64 98.43 0.34 0.00 0.00 0.00 53 L H H 33.89 14.69 18.24 33.31 91.79 51.34 -63.44 -41.53 0.66 0.00 99.34 0.18 0.06 0.34 99.23 0.19 0.00 0.00 0.00 54 K H H 111.99 2.53 23.55 24.98 91.47 50.64 -63.90 -41.59 0.42 0.00 99.58 0.10 0.03 0.23 99.55 0.10 0.00 0.00 0.00 55 R H H 98.26 6.90 21.35 28.73 91.72 49.57 -64.96 -41.28 0.31 0.00 99.69 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 56 L H H 14.23 19.93 15.69 35.85 91.86 50.58 -64.42 -42.17 0.29 0.00 99.71 0.04 0.02 0.19 99.66 0.10 0.00 0.00 0.00 57 R H H 107.81 6.30 20.96 27.80 91.48 51.35 -63.28 -41.47 0.46 0.00 99.54 0.05 0.02 0.32 99.48 0.12 0.00 0.00 0.00 58 K H H 109.25 2.08 22.30 22.68 91.69 49.82 -64.40 -41.75 0.82 0.00 99.18 0.08 0.05 0.59 99.07 0.21 0.00 0.00 0.00 59 A H H 15.26 13.18 14.58 29.42 91.76 51.18 -63.97 -40.85 1.07 0.00 98.93 0.12 0.07 0.74 98.62 0.46 0.00 0.00 0.00 60 K H H 85.37 12.79 15.05 27.81 91.69 52.89 -64.15 -37.94 2.81 0.01 97.19 0.24 0.17 2.19 95.46 1.93 0.00 0.00 0.00 61 K H H 156.15 1.15 18.15 18.14 92.26 51.66 -70.27 -30.15 11.97 0.02 88.01 0.43 0.58 10.89 86.21 1.85 0.01 0.01 0.01 62 E H H 133.30 2.07 16.19 18.11 96.75 44.95 -92.23 -9.59 34.75 0.11 65.15 2.31 3.36 28.25 64.02 1.92 0.04 0.03 0.09 63 A C S 23.72 16.15 6.75 21.88 119.37 103.51 -79.76 147.40 99.67 0.22 0.11 26.67 72.76 0.25 0.07 0.02 0.00 0.04 0.19 64 P C C 70.56 3.00 14.38 18.25 116.72 -105.21 -64.97 152.70 99.81 0.12 0.07 98.18 1.40 0.24 0.02 0.03 0.00 0.03 0.10 65 P C T 112.85 2.45 10.90 14.98 97.35 -92.29 -60.64 -23.82 97.69 0.07 2.23 1.06 4.90 91.22 0.05 2.68 0.00 0.04 0.04 66 M C T 156.60 1.03 12.28 13.14 96.30 35.63 -75.88 0.41 97.20 0.12 2.68 1.13 4.66 90.77 0.07 3.26 0.00 0.07 0.04 67 E C C 98.79 5.91 10.67 18.46 118.57 99.87 -97.94 140.33 93.45 2.44 4.11 49.64 37.80 4.57 0.39 4.52 0.00 0.86 2.22 68 K C C 135.43 4.21 14.67 20.67 115.48 -135.49 -91.00 133.04 99.05 0.86 0.09 91.15 7.70 0.26 0.03 0.05 0.00 0.36 0.45 69 P C C 39.19 17.37 11.00 27.76 115.34 -108.74 -66.43 149.47 98.48 1.18 0.34 93.66 3.99 0.95 0.06 0.29 0.00 0.70 0.35 70 E C C 113.44 5.06 20.66 26.09 112.55 -119.44 -79.72 141.80 92.28 7.05 0.67 62.15 28.82 1.56 0.10 0.67 0.00 6.00 0.70 71 V E E 62.53 13.43 16.84 30.26 117.46 -118.21 -91.91 134.30 45.91 53.56 0.53 40.06 5.12 0.59 0.14 0.42 0.00 52.09 1.58 72 V E E 21.13 18.85 15.53 34.73 119.57 -158.99 -110.30 132.02 12.85 87.06 0.09 12.41 0.61 0.07 0.04 0.05 0.00 85.09 1.74 73 K E E 108.80 7.52 23.27 31.51 118.53 -148.00 -98.48 133.15 13.87 86.05 0.08 13.43 0.58 0.08 0.04 0.04 0.00 84.29 1.55 74 T C C 18.53 21.10 13.38 33.81 130.75 -170.36 -125.05 150.86 58.10 41.34 0.55 53.76 2.89 0.56 0.16 0.37 0.00 40.36 1.89 75 H C C 84.87 7.88 20.60 29.06 109.19 -131.82 -87.75 126.55 77.22 16.77 6.00 35.25 31.12 12.38 1.23 4.51 0.02 13.37 2.12 76 L C C 48.69 15.17 15.07 29.98 102.61 40.41 -86.83 41.81 77.45 5.99 16.56 42.01 19.25 16.69 3.45 13.00 0.01 3.61 1.98 77 R C T 124.51 9.55 15.78 25.97 95.64 135.52 -68.51 -28.85 67.23 2.75 30.03 18.21 14.87 35.02 4.60 24.52 0.02 1.60 1.15 78 D C T 101.82 3.84 18.18 22.62 96.59 50.28 -89.41 3.08 68.67 1.84 29.49 15.92 16.66 36.76 4.39 24.36 0.01 1.03 0.86 79 M C C 57.22 15.74 12.59 27.97 115.85 97.92 -95.32 132.14 74.50 4.79 20.70 45.60 18.72 10.33 4.05 16.72 0.01 2.77 1.81 80 I C C 85.93 8.63 19.07 28.31 113.90 -149.04 -95.57 122.01 80.48 15.51 4.01 62.11 14.50 3.04 2.05 2.19 0.01 8.33 7.77 81 I C C 56.55 16.55 14.99 30.95 113.34 -152.50 -97.25 119.01 82.40 16.26 1.34 72.13 8.28 0.93 0.87 0.57 0.00 8.07 9.15 82 L C C 52.84 12.08 16.20 29.09 116.04 -158.63 -103.71 124.10 98.79 0.68 0.53 95.33 3.38 0.27 0.28 0.15 0.00 0.32 0.27 83 P H G 77.92 8.12 15.95 25.35 92.59 -133.32 -60.06 -30.66 16.95 0.26 82.79 4.78 2.13 9.12 5.29 78.45 0.00 0.19 0.04 84 E H G 115.58 5.91 18.77 25.44 90.83 64.31 -68.12 -18.31 14.33 0.18 85.50 1.43 1.51 10.55 4.88 81.48 0.00 0.12 0.02 85 M H G 19.46 20.96 13.29 34.41 95.23 55.80 -90.94 -9.02 13.98 0.27 85.76 2.75 1.94 8.57 4.03 82.49 0.00 0.18 0.04 86 V C T 64.64 12.76 15.75 29.17 110.76 114.93 -62.82 130.43 90.77 1.16 8.08 1.94 3.22 86.97 2.68 3.81 0.00 0.44 0.93 87 G C T 46.63 4.20 20.96 25.90 95.00 19.52 85.78 -3.98 97.61 0.22 2.17 1.32 3.95 92.81 0.37 1.35 0.00 0.15 0.05 88 S C C 23.51 16.33 15.76 32.51 122.10 124.38 -84.03 156.69 95.39 3.91 0.70 67.05 26.57 1.83 0.12 0.58 0.00 3.44 0.40 89 M E E 73.09 10.20 24.18 34.93 117.34 -128.47 -103.04 129.88 10.46 89.47 0.08 9.21 1.21 0.15 0.03 0.05 0.00 87.45 1.91 90 V E E 10.76 24.29 18.03 42.33 122.85 -167.87 -116.72 133.53 2.66 97.34 0.01 2.38 0.19 0.02 0.00 0.00 0.00 97.32 0.08 91 G E E 14.12 13.53 25.53 39.25 122.21 -155.08 -102.99 142.48 1.01 98.98 0.00 0.92 0.05 0.00 0.00 0.00 0.00 99.01 0.03 92 V E E 24.95 20.14 18.84 38.52 120.11 -154.14 -112.60 128.43 2.33 97.66 0.01 2.20 0.08 0.01 0.00 0.00 0.00 97.49 0.22 93 Y E E 71.88 12.53 17.93 31.10 119.86 -164.22 -108.29 132.59 22.34 77.54 0.12 18.69 2.82 0.59 0.03 0.10 0.00 76.85 0.92 94 N C C 90.40 8.03 17.03 25.86 102.69 -149.07 -93.67 48.74 80.77 19.06 0.17 70.68 4.90 3.07 0.02 0.17 0.00 20.30 0.86 95 G C C 36.09 8.72 16.54 25.86 112.17 -93.57 92.77 -51.53 99.84 0.15 0.01 99.29 0.42 0.16 0.00 0.00 0.00 0.10 0.02