# 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 R C C 157.86 3.48 18.08 22.28 111.73 -138.51 -89.33 117.89 99.85 0.15 0.00 99.84 0.06 0.01 0.00 0.00 0.00 0.08 0.01 1 L C C 49.26 17.80 10.55 27.34 119.88 -161.43 -102.36 132.93 72.86 27.08 0.06 74.69 0.39 0.12 0.02 0.03 0.00 22.51 2.24 2 R E E 137.77 3.75 20.59 25.19 122.16 -169.71 -120.23 133.54 47.86 52.06 0.09 45.46 2.03 0.18 0.03 0.06 0.00 49.80 2.44 3 P E E 43.35 17.48 11.89 28.88 113.92 -113.47 -68.81 143.48 44.50 55.04 0.46 43.23 1.17 0.35 0.16 0.27 0.00 46.96 7.86 4 L C C 81.28 8.04 17.40 26.26 105.44 -157.20 -93.07 8.71 85.35 11.19 3.46 48.16 24.57 12.09 0.33 4.05 0.00 8.90 1.89 5 Y C S 107.79 6.70 19.79 26.84 135.52 0.59 -146.75 172.63 87.89 9.59 2.52 7.33 45.00 35.59 0.14 2.65 0.00 8.02 1.27 6 D C S 72.57 11.06 18.34 29.52 99.93 -67.44 -77.14 38.43 92.90 5.22 1.87 24.10 42.46 25.74 0.09 2.46 0.00 4.57 0.58 7 K C C 53.81 13.84 20.48 34.62 132.23 108.48 -123.07 153.11 64.12 35.58 0.29 40.17 23.32 1.69 0.04 0.31 0.00 33.07 1.40 8 I E E 11.62 21.72 20.49 42.35 120.09 -136.60 -109.21 131.85 11.90 88.08 0.02 11.37 0.40 0.03 0.01 0.01 0.00 87.57 0.60 9 V E E 17.78 16.89 25.10 42.09 116.49 -149.08 -102.11 126.89 2.49 97.49 0.02 2.18 0.20 0.04 0.00 0.01 0.00 97.45 0.12 10 V E E 9.87 23.50 18.33 41.70 128.03 -173.48 -124.78 141.52 1.79 98.19 0.03 1.57 0.11 0.03 0.01 0.01 0.00 98.21 0.05 11 K E E 88.50 9.17 23.63 32.90 121.52 -146.89 -106.76 136.58 2.58 97.39 0.03 2.19 0.21 0.05 0.01 0.02 0.00 97.46 0.06 12 R E E 89.79 14.46 15.37 29.71 113.61 -114.36 -74.78 134.66 9.92 89.89 0.20 9.27 0.50 0.11 0.07 0.08 0.00 89.45 0.51 13 M C C 73.34 10.52 13.80 25.36 111.75 -145.94 -91.68 131.48 64.87 30.93 4.21 55.43 6.62 2.15 1.40 2.42 0.00 30.97 1.00 14 E C C 122.62 3.75 14.41 19.36 117.15 -119.44 -100.25 134.06 68.05 20.36 11.58 52.24 10.50 5.42 3.69 7.62 0.01 18.70 1.83 15 E C C 113.97 7.06 10.59 19.12 114.90 -149.81 -96.39 129.60 71.91 12.96 15.13 57.43 9.26 5.66 4.81 9.88 0.01 11.30 1.64 16 Q C C 119.42 3.44 12.70 17.57 116.18 -154.74 -100.44 134.25 76.03 10.73 13.24 61.81 8.98 5.57 4.26 8.61 0.00 9.16 1.61 17 E C C 108.78 7.14 9.76 18.41 116.45 -137.02 -95.49 134.97 77.14 14.59 8.27 64.43 8.46 4.42 2.91 5.02 0.00 12.97 1.80 18 Q C C 106.32 4.55 11.75 18.18 120.62 -162.53 -111.80 138.51 63.55 31.77 4.68 52.93 7.09 3.20 1.94 2.58 0.01 29.64 2.61 19 K E B 136.77 3.91 10.39 16.58 119.09 -143.65 -103.96 133.99 34.33 64.50 1.18 29.30 3.06 0.53 1.01 0.39 0.00 29.14 36.57 20 T C C 54.62 6.59 7.84 16.32 123.04 -141.94 -90.38 164.72 91.85 7.83 0.32 89.79 2.05 0.48 0.15 0.14 0.00 5.64 1.76 21 P C T 130.64 0.50 9.99 9.97 92.12 -98.91 -63.27 -24.72 95.96 2.70 1.34 4.67 7.74 83.63 0.21 1.09 0.00 2.21 0.46 22 S C T 87.48 1.29 9.12 11.10 94.71 54.32 -86.02 0.31 98.25 0.49 1.26 2.69 7.97 87.56 0.14 1.15 0.00 0.35 0.13 23 G C S 49.16 2.78 11.39 15.47 100.81 -100.19 87.85 3.88 95.27 3.51 1.22 20.31 70.03 5.18 0.18 0.98 0.00 2.37 0.95 24 I C C 77.55 6.29 9.62 18.12 117.45 129.50 -90.95 137.06 81.92 17.83 0.26 64.76 16.21 1.00 0.10 0.20 0.00 13.68 4.04 25 I E E 94.94 5.31 13.68 20.77 113.79 -134.55 -93.23 126.11 17.02 82.73 0.25 13.21 2.82 0.31 0.20 0.10 0.00 41.75 41.60 26 I C C 56.49 12.06 11.12 24.31 118.49 -159.61 -103.68 132.96 65.30 34.51 0.19 56.37 7.42 0.59 0.07 0.13 0.00 33.51 1.90 27 P C C 58.11 6.91 14.09 22.79 113.24 -109.48 -66.03 149.90 79.97 15.60 4.43 65.66 8.79 5.24 1.43 3.10 0.00 13.66 2.12 28 D C T 101.09 5.32 13.12 19.96 97.14 -118.58 -69.45 -15.96 78.97 2.08 18.95 18.06 23.27 38.48 3.21 14.93 0.01 1.15 0.88 29 T C T 88.43 3.73 14.51 19.19 97.79 67.55 -83.42 -6.06 75.15 3.03 21.82 20.83 16.61 38.52 3.84 17.23 0.01 1.59 1.36 30 A C C 37.62 12.96 9.02 22.17 103.76 91.83 -75.53 43.94 77.19 2.25 20.55 50.01 14.58 11.99 3.98 17.23 0.00 1.15 1.07 31 K C C 143.04 3.30 14.08 18.70 99.84 107.86 -83.00 -9.79 87.48 2.59 9.93 51.27 24.39 11.89 2.56 7.16 0.00 1.15 1.59 32 E C C 110.81 5.06 13.60 20.16 119.95 77.48 -97.57 142.29 91.00 3.64 5.36 51.38 33.78 5.88 1.43 3.72 0.00 1.48 2.33 33 K C C 132.69 4.17 16.72 22.24 117.88 -102.53 -81.15 140.00 97.63 2.25 0.13 64.28 33.06 0.64 0.03 0.09 0.00 1.37 0.53 34 P C C 52.23 15.64 12.86 28.11 115.26 -101.48 -67.79 146.71 96.32 3.60 0.08 84.99 10.44 0.76 0.01 0.08 0.00 3.46 0.26 35 Q E E 57.93 12.57 19.07 32.17 125.25 -157.65 -117.80 142.58 18.86 81.09 0.05 16.47 2.08 0.18 0.01 0.04 0.00 80.06 1.17 36 I E E 76.74 11.18 22.41 33.51 121.46 -137.46 -102.89 137.42 4.82 95.18 0.00 4.04 0.46 0.02 0.00 0.00 0.00 95.35 0.13 37 G E E 6.43 18.03 19.27 37.49 142.89 152.47 -156.60 174.26 1.23 98.77 0.00 0.92 0.18 0.00 0.00 0.00 0.00 98.87 0.02 38 E E E 75.99 8.25 25.99 35.26 123.26 -92.57 -112.44 138.71 0.39 99.61 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.01 39 V E E 8.83 24.27 16.03 41.06 110.01 -118.23 -76.74 124.35 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 40 I E E 55.73 10.06 24.15 35.04 100.50 175.44 -96.43 -32.60 0.63 99.37 0.00 0.42 0.09 0.01 0.00 0.00 0.00 99.48 0.00 41 A E E 29.49 11.01 25.34 37.04 140.57 -0.46 -154.76 149.77 1.15 98.84 0.00 0.80 0.17 0.02 0.00 0.00 0.00 98.99 0.02 42 V E E 28.58 21.84 16.02 36.82 124.24 -162.28 -125.55 132.29 6.62 93.33 0.04 5.70 0.68 0.09 0.01 0.03 0.00 93.05 0.44 43 G C C 16.98 11.33 19.14 31.33 126.03 -141.59 -85.43 175.33 62.25 37.58 0.17 39.41 19.64 2.38 0.01 0.19 0.00 37.70 0.66 44 D C C 107.43 3.04 22.18 25.43 104.54 -68.88 -74.95 90.20 80.09 19.65 0.27 39.56 34.55 5.21 0.02 0.34 0.00 19.65 0.68 45 G C C 15.46 18.13 11.82 28.95 126.42 -143.10 -83.53 172.85 65.13 34.67 0.20 49.64 12.36 1.76 0.02 0.23 0.00 35.03 0.96 46 K E E 101.09 5.81 19.07 25.94 126.96 -113.21 -121.71 150.39 11.95 87.99 0.06 10.09 1.71 0.18 0.01 0.05 0.00 86.59 1.36 47 L E E 91.10 7.42 12.65 21.73 115.96 -120.14 -92.10 131.27 2.58 97.40 0.02 2.44 0.14 0.01 0.02 0.01 0.00 83.07 14.31 48 L C C 56.46 7.86 8.79 18.58 122.64 -139.03 -84.24 168.54 94.80 5.17 0.02 95.31 0.32 0.06 0.00 0.01 0.00 3.79 0.51 49 S C T 104.68 0.52 9.93 10.18 90.29 -96.29 -62.18 -24.58 98.39 0.96 0.66 0.94 3.83 93.67 0.02 0.70 0.00 0.73 0.12 50 N C T 128.88 0.74 10.37 10.69 93.77 55.19 -87.30 0.82 99.25 0.09 0.66 0.37 3.25 95.57 0.01 0.73 0.00 0.05 0.02 51 G C S 45.98 4.16 10.07 16.09 96.71 -102.80 85.02 5.08 99.08 0.35 0.57 11.07 86.27 1.95 0.03 0.39 0.00 0.18 0.12 52 Q C C 105.01 2.42 13.40 17.01 118.32 134.10 -82.21 144.72 97.06 2.92 0.02 94.18 3.09 0.11 0.00 0.01 0.00 2.23 0.38 53 I E E 85.20 10.14 10.68 21.97 114.59 -121.18 -87.99 130.42 2.35 97.65 0.01 2.25 0.13 0.01 0.01 0.00 0.00 82.19 15.41 54 V E E 63.94 7.35 15.54 24.60 123.04 -171.07 -118.22 137.95 19.11 80.87 0.01 18.37 0.64 0.04 0.00 0.01 0.00 79.45 1.49 55 S C C 65.06 7.11 17.55 25.73 115.09 -105.21 -69.88 144.44 69.56 30.39 0.05 65.53 2.70 0.17 0.01 0.04 0.00 30.60 0.94 56 P C C 23.21 20.83 11.39 31.53 114.05 -110.36 -69.68 146.85 96.31 3.59 0.10 82.36 12.68 1.32 0.01 0.11 0.00 3.08 0.43 57 K C C 141.73 2.71 23.60 26.28 102.99 -136.59 -87.78 57.54 95.58 4.36 0.06 83.27 11.86 0.75 0.01 0.06 0.00 2.50 1.53 58 V C C 10.90 24.52 10.04 33.73 121.66 137.38 -101.48 140.04 90.81 9.16 0.04 89.55 2.07 0.05 0.01 0.02 0.00 3.31 4.98 59 K C C 117.17 3.04 23.64 26.58 128.09 -158.87 -116.62 157.79 94.68 5.28 0.04 94.74 0.70 0.04 0.01 0.01 0.00 1.65 2.84 60 K C T 125.08 8.16 15.11 24.65 109.87 -83.05 -59.46 133.71 99.53 0.35 0.12 0.15 1.37 98.20 0.00 0.07 0.00 0.15 0.06 61 G C T 42.71 4.35 19.32 24.50 96.76 25.30 89.04 -7.12 99.92 0.05 0.03 0.21 1.42 98.30 0.00 0.02 0.00 0.03 0.00 62 D C C 31.75 14.38 15.85 31.51 117.48 135.20 -69.38 144.97 98.21 1.79 0.00 97.70 0.72 0.01 0.00 0.00 0.00 1.50 0.06 63 K E E 78.18 11.84 23.83 35.63 118.82 -131.88 -101.47 133.68 1.13 98.87 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.55 0.24 64 V E E 4.03 25.06 19.80 45.14 128.34 -171.93 -124.93 141.95 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 65 V E E 22.29 16.07 26.72 43.04 117.07 -145.20 -102.24 127.21 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 66 F E E 9.37 24.12 19.16 43.11 130.16 -173.07 -123.11 148.60 3.17 96.83 0.00 2.90 0.12 0.01 0.00 0.00 0.00 96.84 0.13 67 N C C 43.24 11.56 21.25 33.30 116.56 -108.72 -71.97 152.66 77.06 22.73 0.21 73.44 2.20 0.33 0.03 0.15 0.00 23.37 0.47 68 K C T 108.97 10.46 18.06 28.78 93.44 -107.02 -63.18 -29.52 88.38 2.63 8.99 4.20 17.22 67.14 0.59 8.37 0.00 2.01 0.47 69 Y C T 142.50 5.19 20.21 26.17 95.42 55.77 -84.26 2.12 89.22 3.25 7.54 6.11 13.57 69.47 0.58 7.12 0.00 2.53 0.62 70 A C C 29.50 15.42 15.58 31.17 99.50 99.54 -78.35 -6.04 82.81 8.11 9.08 39.22 21.74 21.94 0.87 8.89 0.00 6.10 1.25 71 G C E 21.31 17.45 14.96 31.12 129.65 64.94 -122.52 166.67 58.60 40.50 0.90 33.86 12.90 11.78 0.10 0.95 0.00 39.47 0.95 72 T E E 64.44 6.85 21.21 28.79 129.96 -139.50 -125.64 154.46 15.67 84.24 0.09 13.44 1.66 0.25 0.02 0.07 0.00 84.04 0.52 73 E E E 111.40 8.22 16.26 25.84 115.95 -117.09 -86.23 132.62 3.78 96.21 0.01 3.58 0.14 0.01 0.00 0.00 0.00 96.14 0.12 74 V E E 37.81 13.01 12.32 26.46 131.35 179.37 -132.71 152.58 2.44 97.55 0.01 2.24 0.08 0.01 0.00 0.00 0.00 97.64 0.03 75 E E E 131.31 2.93 15.88 20.07 114.90 -126.98 -97.36 126.19 3.24 96.75 0.01 2.81 0.16 0.02 0.00 0.00 0.00 96.96 0.05 76 L E E 41.60 15.27 8.17 22.99 120.35 174.43 -129.82 120.74 6.64 93.27 0.09 3.87 1.78 0.73 0.02 0.09 0.00 93.03 0.49 77 D C T 123.24 1.66 12.63 15.20 92.95 -16.82 52.24 40.45 99.37 0.43 0.20 0.43 4.60 94.44 0.00 0.20 0.00 0.30 0.03 78 G C T 66.66 0.58 12.85 12.20 94.84 -50.61 80.00 3.32 99.73 0.13 0.13 0.50 5.27 93.97 0.00 0.15 0.00 0.09 0.01 79 E E E 91.66 6.35 11.53 19.90 124.75 105.07 -110.58 143.89 5.61 94.38 0.01 3.53 1.56 0.11 0.00 0.01 0.00 94.62 0.17 80 K E E 110.34 6.46 15.88 23.79 114.33 -124.58 -86.78 128.64 1.58 98.42 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.59 0.01 81 Y E E 31.05 17.25 15.34 33.14 132.43 -174.63 -131.06 152.25 0.35 99.65 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.67 0.00 82 L E E 24.51 15.54 21.89 38.16 117.01 -128.95 -98.23 130.82 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 83 I E E 20.43 18.45 23.32 41.56 117.92 -158.52 -107.30 127.61 0.61 99.39 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 84 M E E 8.16 23.00 19.26 42.24 128.65 -171.51 -119.70 147.89 8.22 91.78 0.00 8.00 0.13 0.00 0.00 0.00 0.00 91.73 0.13 85 S E E 30.70 9.01 24.78 34.59 119.63 -119.98 -78.99 155.29 43.95 56.02 0.02 44.31 0.52 0.02 0.00 0.02 0.00 54.61 0.52 86 E H G 63.50 17.81 15.71 32.98 91.18 -112.50 -58.96 -33.89 3.15 0.06 96.80 0.23 0.30 2.18 0.70 96.54 0.00 0.05 0.00 87 D H G 102.97 3.11 22.85 26.56 89.99 63.74 -69.22 -17.65 2.90 0.05 97.05 0.11 0.20 2.26 0.42 96.98 0.00 0.04 0.00 88 E H G 35.43 17.06 17.97 35.33 94.98 55.43 -91.71 -4.45 3.77 0.11 96.12 0.34 0.38 2.34 0.41 96.42 0.00 0.09 0.00 89 V E E 8.40 24.67 14.82 39.91 111.65 97.90 -80.68 123.08 5.18 94.79 0.03 4.99 0.27 0.02 0.01 0.02 0.00 93.86 0.82 90 L E E 58.68 10.33 22.99 33.92 99.99 178.05 -94.52 -29.88 4.69 95.29 0.02 3.32 1.36 0.12 0.00 0.02 0.00 95.12 0.07 91 A E E 23.30 11.48 23.33 35.73 145.32 -10.35 -167.13 161.93 2.27 97.70 0.02 1.63 0.48 0.09 0.00 0.02 0.00 97.66 0.12 92 V E E 43.52 17.88 17.55 34.94 120.67 -125.61 -115.63 130.51 6.33 93.64 0.03 6.10 0.06 0.08 0.01 0.02 0.00 93.18 0.55 93 I C C 46.27 14.94 18.79 33.79 113.76 -159.90 -102.78 123.19 85.70 14.30 0.00 86.44 0.05 0.00 0.00 0.00 0.00 13.46 0.05