# 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 T C C 67.23 7.23 19.31 26.91 114.61 -152.62 -106.71 121.07 99.93 0.04 0.03 99.81 0.10 0.05 0.01 0.00 0.00 0.01 0.01 1 A C C 35.58 16.59 12.97 29.01 96.00 -130.21 -68.71 -19.82 51.26 0.95 47.79 34.59 2.58 14.54 21.53 25.78 0.00 0.61 0.36 2 Y H G 114.68 10.77 15.43 26.45 95.37 70.77 -70.16 -22.33 44.26 3.58 52.16 17.11 8.06 19.25 21.62 30.54 0.04 2.56 0.83 3 D H G 85.28 6.01 19.21 25.84 94.66 65.43 -74.43 -14.38 40.92 5.42 53.66 21.16 8.86 11.62 21.55 31.81 0.04 4.08 0.88 4 V C H 30.93 17.54 16.87 33.95 97.44 65.67 -79.55 -26.78 42.47 20.77 36.76 19.87 13.81 11.10 20.79 14.50 0.51 16.88 2.55 5 I E E 24.98 21.19 15.92 36.64 112.29 72.30 -96.10 116.32 26.40 56.79 16.82 16.17 6.25 5.18 13.63 4.88 0.24 44.90 8.74 6 L E E 69.63 12.17 20.65 32.55 110.10 -170.69 -95.58 98.07 38.09 57.16 4.75 28.32 7.65 2.19 4.24 1.50 0.06 50.39 5.64 7 A C E 48.69 11.25 21.23 32.50 129.16 9.73 -132.13 140.28 54.15 45.57 0.28 40.63 12.92 0.57 0.12 0.17 0.00 44.51 1.09 8 P C C 44.09 17.15 17.26 33.69 115.04 -106.23 -68.08 147.06 65.32 34.38 0.31 60.49 3.16 0.45 0.11 0.18 0.00 34.30 1.31 9 V C C 51.87 13.68 19.97 33.60 110.08 -133.42 -92.24 112.27 64.76 34.81 0.43 57.40 6.50 0.70 0.24 0.25 0.00 24.86 10.04 10 L C C 51.55 17.35 14.56 31.33 121.69 -150.93 -112.45 133.25 84.16 15.55 0.29 78.13 6.02 0.39 0.17 0.14 0.00 11.28 3.86 11 S C C 40.24 7.50 16.39 25.23 129.12 -151.88 -103.72 174.32 96.52 2.98 0.51 86.68 9.88 0.32 0.47 0.09 0.00 1.62 0.94 12 E H H 148.00 1.68 16.03 18.04 91.02 -95.36 -59.72 -36.95 9.50 0.09 90.42 1.68 2.66 5.77 87.64 2.13 0.05 0.03 0.05 13 K H H 129.43 2.89 17.72 21.10 91.76 51.84 -64.83 -39.49 8.39 0.10 91.52 1.33 1.24 6.11 87.87 3.31 0.05 0.05 0.04 14 A H H 10.33 19.81 11.80 31.31 92.29 50.35 -65.81 -41.02 5.85 0.14 94.01 1.90 0.89 3.34 89.28 4.44 0.02 0.09 0.04 15 Y H H 111.11 7.60 17.99 26.36 92.04 52.09 -63.21 -41.44 4.21 0.10 95.68 1.58 0.69 2.14 92.61 2.87 0.01 0.07 0.03 16 A H H 62.51 1.80 20.46 20.57 92.09 50.40 -64.53 -40.50 8.04 0.18 91.78 1.73 1.05 5.45 88.60 2.91 0.08 0.11 0.06 17 G H H 12.38 12.03 14.15 27.79 92.24 50.67 -65.68 -39.45 11.59 0.23 88.18 2.60 1.45 7.77 84.18 3.67 0.09 0.14 0.09 18 F H H 71.51 15.16 12.76 27.47 92.48 53.56 -64.30 -40.58 7.89 0.16 91.95 2.08 0.98 4.73 83.28 8.72 0.03 0.11 0.05 19 A H H 87.57 1.60 16.67 18.25 90.94 56.26 -65.93 -26.64 17.45 0.23 82.32 2.04 1.50 13.62 73.26 9.26 0.08 0.13 0.10 20 E C T 127.89 2.35 16.32 18.84 93.31 52.41 -87.11 0.47 72.00 0.10 27.90 1.02 2.36 70.38 19.42 6.69 0.01 0.04 0.08 21 G C T 38.30 8.02 16.00 25.22 95.61 -106.35 80.55 15.12 99.67 0.07 0.26 2.23 2.44 95.12 0.06 0.09 0.00 0.04 0.02 22 K C C 64.80 12.83 17.63 30.90 124.75 133.92 -102.29 147.21 68.82 31.14 0.05 65.19 3.03 0.18 0.01 0.04 0.00 30.77 0.80 23 Y E E 29.78 18.83 20.20 38.95 116.35 -124.66 -89.43 135.58 13.35 86.64 0.01 13.23 0.30 0.02 0.00 0.00 0.00 86.16 0.28 24 T E E 18.28 18.13 23.79 41.48 128.25 -167.80 -123.19 142.53 2.94 97.06 0.00 2.99 0.04 0.00 0.00 0.00 0.00 96.93 0.04 25 F E E 8.54 23.45 21.83 44.90 129.55 -170.87 -127.82 144.07 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 26 W E E 74.88 12.65 26.74 39.73 115.98 -141.94 -103.00 125.14 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.83 0.01 27 V E E 6.65 24.01 16.55 40.71 130.08 -173.73 -124.83 149.31 2.82 97.18 0.00 2.78 0.05 0.00 0.00 0.00 0.00 96.89 0.28 28 H C C 63.59 9.03 22.27 32.16 111.72 -103.98 -69.14 135.55 94.38 5.61 0.01 94.63 0.30 0.01 0.00 0.00 0.00 4.94 0.12 29 P C T 64.28 13.55 15.41 29.35 90.88 -129.16 -62.00 -24.48 99.01 0.29 0.70 0.41 2.97 95.69 0.01 0.71 0.00 0.17 0.04 30 K C T 152.69 1.56 21.12 21.88 93.01 59.56 -87.58 -2.46 99.18 0.14 0.68 0.45 2.49 96.21 0.01 0.73 0.00 0.09 0.02 31 A C C 10.25 21.19 9.41 30.31 116.74 121.64 -68.60 142.61 99.21 0.64 0.15 79.31 19.74 0.19 0.04 0.09 0.00 0.22 0.41 32 T C C 64.49 3.62 24.10 26.75 126.48 -141.56 -96.28 166.55 96.56 3.29 0.16 95.78 0.58 0.04 0.10 0.01 0.00 0.39 3.10 33 K H H 89.35 15.19 14.69 29.42 90.88 -102.22 -58.47 -38.33 1.19 0.00 98.81 0.14 0.16 0.68 98.92 0.10 0.00 0.00 0.00 34 T H H 85.55 2.46 22.01 23.70 91.73 52.49 -64.17 -40.83 0.50 0.00 99.50 0.04 0.04 0.34 99.50 0.08 0.00 0.00 0.00 35 E H H 66.66 9.39 20.75 30.74 91.99 48.96 -65.42 -40.74 0.13 0.00 99.87 0.02 0.01 0.08 99.85 0.06 0.00 0.00 0.00 36 I H H 1.81 26.96 15.77 43.57 91.09 49.56 -63.53 -43.79 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 37 K H H 73.95 14.61 22.09 35.60 91.25 51.34 -61.86 -42.41 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 38 N H H 88.52 2.85 26.66 28.70 91.77 49.33 -64.96 -41.54 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 39 A H H 9.08 16.01 21.27 38.08 91.67 50.46 -64.08 -43.31 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 V H H 1.73 26.70 17.83 45.12 91.65 48.52 -64.53 -43.12 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 41 E H H 67.60 11.26 19.91 31.42 91.87 51.09 -63.63 -41.88 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 T H H 87.62 2.80 22.59 24.99 92.35 48.18 -66.40 -40.47 0.23 0.00 99.77 0.00 0.00 0.22 99.73 0.04 0.00 0.00 0.00 43 A H H 24.61 16.22 17.33 33.24 94.84 44.47 -73.12 -39.29 1.22 0.00 98.78 0.02 0.03 1.20 98.67 0.07 0.00 0.00 0.00 44 F H H 26.98 19.08 14.79 33.97 101.54 25.54 -105.69 -2.72 15.41 0.04 84.55 0.75 1.68 12.27 84.98 0.26 0.02 0.01 0.03 45 K C T 156.86 1.90 21.27 22.97 94.55 -124.84 57.20 42.65 99.77 0.06 0.17 18.76 9.73 71.33 0.07 0.06 0.00 0.04 0.02 46 V C C 18.94 19.81 11.65 31.38 129.47 135.37 -122.01 151.65 95.12 4.85 0.02 74.22 20.73 0.21 0.01 0.02 0.00 4.56 0.26 47 K C C 123.43 3.09 24.53 27.33 112.68 -123.76 -89.29 128.26 85.39 14.60 0.01 85.11 0.63 0.03 0.00 0.01 0.00 14.04 0.18 48 V E E 20.62 23.15 10.87 33.43 111.59 -138.75 -85.53 122.30 16.80 83.19 0.02 18.03 0.15 0.01 0.00 0.01 0.00 80.69 1.10 49 V E E 80.57 4.50 21.32 26.27 99.38 177.33 -90.21 -34.15 18.79 81.19 0.02 10.41 8.29 0.18 0.00 0.02 0.00 81.01 0.10 50 K E E 99.65 4.28 23.62 28.60 138.10 -1.06 -154.44 150.07 3.35 96.64 0.01 2.13 0.90 0.06 0.00 0.00 0.00 96.88 0.02 51 V E E 30.41 23.07 11.86 33.78 125.17 -165.25 -131.51 130.85 1.44 98.56 0.00 1.28 0.06 0.00 0.00 0.00 0.00 98.64 0.02 52 N E E 69.39 5.63 24.74 30.47 127.58 -175.82 -125.55 143.76 2.08 97.92 0.00 1.74 0.11 0.01 0.00 0.00 0.00 98.13 0.01 53 T E E 44.19 19.60 13.27 31.73 125.07 -157.52 -119.33 137.79 2.55 97.45 0.00 2.44 0.05 0.00 0.00 0.00 0.00 97.44 0.06 54 L E E 66.65 7.73 19.42 28.32 126.24 -171.55 -126.01 140.50 1.45 98.55 0.00 1.37 0.03 0.00 0.00 0.00 0.00 98.43 0.17 55 H E E 105.30 9.23 15.70 26.15 115.64 -135.58 -95.67 125.57 4.65 95.34 0.00 4.19 0.25 0.01 0.00 0.00 0.00 95.41 0.14 56 V E E 49.88 11.17 12.95 25.59 123.19 -171.98 -116.96 138.06 25.32 74.66 0.02 23.96 0.84 0.05 0.00 0.01 0.00 74.35 0.78 57 R C C 165.73 2.30 17.46 20.43 112.65 -120.51 -80.48 132.40 58.58 41.35 0.07 53.76 2.75 0.28 0.01 0.05 0.00 42.61 0.53 58 G C C 26.14 13.97 9.08 22.57 125.22 -133.37 -83.65 166.91 64.19 35.72 0.08 55.55 6.39 0.63 0.01 0.08 0.00 36.51 0.82 59 K E E 126.70 2.97 15.89 19.77 122.32 -114.39 -110.66 147.14 24.46 75.47 0.06 22.67 1.45 0.14 0.02 0.04 0.00 74.27 1.41 60 K E E 132.37 5.24 11.12 18.52 114.69 -114.59 -80.19 133.67 14.61 85.35 0.03 13.94 0.49 0.05 0.01 0.02 0.00 85.11 0.38 61 K E E 99.63 5.50 10.40 17.99 125.64 -172.35 -123.60 147.12 6.30 93.67 0.03 5.64 0.48 0.08 0.01 0.01 0.00 93.56 0.21 62 R E E 165.75 2.30 8.89 13.23 115.85 -130.14 -95.49 127.91 6.78 93.18 0.03 6.03 0.42 0.07 0.01 0.02 0.00 92.82 0.64 63 L E E 105.21 3.18 7.75 12.94 115.20 -177.05 -123.36 107.29 26.24 73.62 0.14 22.53 2.31 0.49 0.04 0.09 0.00 73.78 0.76 64 G C T 64.82 0.43 10.46 9.78 109.74 -52.41 64.27 -127.02 98.36 1.30 0.33 13.29 21.93 63.08 0.03 0.36 0.00 1.18 0.13 65 R C T 207.44 0.34 9.30 8.52 96.96 -15.94 -89.63 -2.61 98.75 0.91 0.34 11.92 21.67 65.08 0.03 0.38 0.00 0.83 0.10 66 Y E E 146.67 2.46 8.51 12.95 121.94 82.04 -109.23 141.09 20.65 79.26 0.09 15.37 5.08 0.81 0.02 0.08 0.00 77.69 0.95 67 L E E 116.04 3.42 9.34 15.06 119.01 -147.81 -103.71 136.58 9.28 90.70 0.02 7.96 0.65 0.08 0.00 0.01 0.00 91.04 0.26 68 G E E 30.36 5.30 11.99 19.15 135.52 150.29 -145.14 175.52 7.00 92.99 0.01 5.73 0.79 0.09 0.00 0.01 0.00 93.24 0.14 69 K E E 128.74 4.77 12.56 19.45 121.10 -94.81 -105.20 142.05 7.00 92.99 0.01 6.39 0.40 0.02 0.00 0.00 0.00 91.23 1.95 70 R C C 107.91 8.80 12.35 22.58 123.98 -157.71 -113.32 140.48 59.98 40.00 0.02 57.52 1.39 0.05 0.00 0.01 0.00 40.34 0.68 71 P C C 66.15 7.43 14.72 23.53 114.85 -104.82 -66.61 151.85 80.22 19.67 0.11 65.53 10.74 1.59 0.01 0.13 0.00 21.56 0.44 72 D C C 76.46 8.74 15.24 24.89 101.74 -119.73 -81.94 12.58 81.41 18.49 0.10 46.35 31.12 2.82 0.01 0.14 0.00 19.12 0.44 73 R E E 89.73 11.11 16.96 28.69 129.75 78.48 -124.05 146.59 29.92 70.05 0.03 25.57 3.45 0.21 0.00 0.03 0.00 70.02 0.70 74 K E E 46.27 15.34 17.00 32.77 128.93 -164.66 -125.38 144.94 4.22 95.78 0.00 3.88 0.17 0.00 0.00 0.00 0.00 95.79 0.14 75 K E E 70.80 11.88 21.97 34.02 122.99 -146.26 -110.81 139.67 0.96 99.04 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.05 0.02 76 A E E 7.81 21.82 17.03 39.34 124.49 -159.87 -117.98 139.69 0.88 99.12 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.10 0.01 77 I E E 49.02 10.33 24.49 35.78 117.27 -151.26 -109.48 126.15 0.41 99.59 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.56 0.02 78 V E E 9.09 23.03 17.51 40.90 121.41 -168.25 -114.56 131.95 0.80 99.20 0.00 0.84 0.00 0.00 0.00 0.00 0.00 99.14 0.01 79 Q E E 73.75 8.60 26.05 35.02 118.67 -158.83 -108.81 128.88 2.80 97.20 0.00 2.80 0.04 0.00 0.00 0.00 0.00 97.02 0.14 80 V E E 11.75 22.54 12.95 35.44 121.29 -160.56 -106.14 137.81 13.97 86.03 0.00 14.06 0.28 0.01 0.00 0.00 0.00 83.91 1.74 81 A C C 44.88 5.80 18.94 25.66 119.20 -118.56 -75.14 156.44 97.52 2.47 0.02 96.88 0.79 0.06 0.00 0.01 0.00 2.10 0.15 82 P C T 104.51 3.74 14.83 20.33 110.53 -80.93 -59.39 137.30 98.38 1.00 0.62 1.27 5.15 92.19 0.03 0.52 0.00 0.65 0.19 83 G C T 61.33 1.19 16.16 16.70 96.50 20.89 85.65 -3.40 98.60 0.80 0.59 2.37 4.67 91.64 0.03 0.57 0.00 0.62 0.09 84 Q C C 66.26 12.40 11.23 24.25 117.32 129.35 -80.08 141.93 90.82 8.59 0.58 86.61 4.06 0.54 0.12 0.43 0.00 7.19 1.05 85 K C C 130.03 4.91 17.98 24.91 125.13 -160.33 -123.01 139.21 59.14 40.17 0.68 57.47 1.27 0.35 0.36 0.30 0.00 30.86 9.38 86 I C C 32.55 19.24 11.80 30.71 118.63 -155.01 -109.57 128.91 63.42 34.94 1.64 60.76 1.76 0.64 0.88 0.64 0.00 32.90 2.43 87 E C C 110.22 5.09 19.48 25.42 111.27 -133.54 -84.22 125.36 70.63 24.84 4.52 66.19 2.82 1.50 1.83 2.06 0.00 23.78 1.82 88 A C C 46.03 14.31 13.69 27.65 100.76 -163.39 -80.97 -25.13 73.36 9.47 17.17 40.98 17.74 15.83 4.40 12.11 0.02 7.46 1.46 89 L C C 83.12 9.87 13.64 23.96 102.58 32.80 -88.20 31.19 70.64 9.54 19.82 37.05 16.41 18.76 4.54 14.49 0.04 6.58 2.13 90 E C C 119.47 5.43 12.83 19.85 107.17 99.56 -86.65 73.45 73.43 7.19 19.38 32.49 19.54 23.07 4.01 14.27 0.04 4.95 1.64 91 G C C 47.59 4.53 12.35 18.19 113.35 7.65 100.84 5.28 80.71 7.61 11.68 32.86 21.48 27.86 2.34 8.58 0.01 5.33 1.54 92 L C C 109.24 5.16 10.65 17.41 111.04 -52.73 -90.43 119.39 87.63 7.31 5.05 79.57 2.33 6.53 1.66 2.65 0.00 5.14 2.13 93 I C C 93.27 8.90 11.09 20.96 112.15 -148.77 -91.68 117.42 99.61 0.38 0.02 99.58 0.11 0.03 0.01 0.00 0.00 0.24 0.03