# 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 E C C 120.59 4.71 18.61 24.36 115.12 -147.63 -94.74 127.07 99.35 0.64 0.01 99.40 0.06 0.02 0.00 0.00 0.00 0.51 0.01 1 V E E 46.14 17.65 10.64 27.40 120.49 -158.68 -107.84 131.21 45.40 54.30 0.30 44.91 0.50 0.20 0.12 0.11 0.00 52.80 1.36 2 Q E E 105.90 4.07 19.61 24.57 120.49 -164.43 -113.68 133.88 23.94 75.51 0.54 21.68 1.57 0.43 0.27 0.25 0.00 74.27 1.52 3 L E E 59.49 17.57 11.47 28.15 118.69 -149.52 -99.57 131.52 29.45 69.46 1.08 26.73 1.92 0.63 0.44 0.54 0.00 68.49 1.26 4 Q E E 96.93 6.18 18.10 25.32 120.32 -166.31 -111.33 137.54 41.88 56.32 1.80 33.29 6.65 2.27 0.51 1.17 0.00 54.68 1.42 5 Q C C 97.19 10.08 14.53 25.19 118.63 -135.42 -98.49 134.91 58.72 38.81 2.47 41.50 12.37 5.09 0.51 1.92 0.00 37.23 1.37 6 S C C 63.18 8.96 15.10 24.74 113.54 -166.58 -100.81 132.77 74.84 23.09 2.07 40.57 19.88 14.63 0.27 1.95 0.00 21.41 1.29 7 G C S 39.04 7.32 17.90 25.70 122.90 -84.80 115.87 -175.34 77.59 20.87 1.54 29.93 32.43 15.58 0.14 1.56 0.00 19.26 1.09 8 A C C 46.36 14.19 14.66 28.47 120.54 -55.28 -95.38 143.17 65.56 33.31 1.13 44.74 15.74 4.40 0.13 1.12 0.00 33.06 0.82 9 D E E 62.48 11.37 19.75 31.21 125.01 -168.63 -120.34 139.14 27.22 72.32 0.46 20.74 6.11 1.06 0.08 0.40 0.00 71.00 0.62 10 L E E 78.79 12.18 20.57 32.48 117.18 -135.22 -97.33 131.46 9.01 90.91 0.08 8.00 0.90 0.08 0.03 0.06 0.00 90.26 0.69 11 V E E 16.52 20.50 14.83 35.14 126.92 -171.51 -121.40 141.63 9.13 90.86 0.02 8.72 0.37 0.01 0.01 0.01 0.00 86.18 4.70 12 K C C 109.55 4.59 23.41 28.17 120.54 -128.65 -89.22 148.74 93.01 6.98 0.01 92.78 0.61 0.03 0.00 0.01 0.00 6.21 0.36 13 P C T 65.77 13.07 14.01 27.34 110.10 -87.75 -58.96 136.57 99.41 0.38 0.21 0.21 1.93 97.47 0.01 0.12 0.00 0.22 0.04 14 G C T 50.44 3.23 19.46 23.31 95.83 22.56 87.76 -5.67 99.63 0.22 0.15 0.35 2.18 97.20 0.01 0.10 0.00 0.15 0.01 15 A C C 35.72 10.76 15.28 27.39 121.41 126.97 -79.66 155.51 94.17 5.77 0.06 83.51 10.39 0.22 0.01 0.07 0.00 5.36 0.44 16 S E E 60.05 9.04 19.27 29.32 126.22 -137.95 -115.29 145.31 43.69 56.29 0.02 42.74 0.89 0.05 0.00 0.02 0.00 55.57 0.73 17 V E E 17.53 21.51 15.27 36.61 127.16 -167.22 -129.18 138.67 1.90 98.10 0.00 1.81 0.05 0.00 0.00 0.00 0.00 98.08 0.07 18 K E E 111.80 6.61 23.98 31.54 117.69 -148.71 -105.30 128.40 0.69 99.31 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.02 19 L E E 9.30 24.58 15.49 40.30 123.43 -170.24 -117.70 134.98 3.41 96.58 0.01 3.24 0.12 0.01 0.00 0.00 0.00 96.55 0.08 20 S E E 48.00 8.40 25.78 34.68 126.94 -165.38 -115.61 145.58 16.63 83.33 0.03 15.33 0.65 0.05 0.01 0.02 0.00 83.79 0.15 21 C E E 9.83 23.62 15.57 39.03 134.49 171.49 -140.03 149.55 24.09 75.81 0.09 21.97 1.32 0.13 0.03 0.05 0.00 76.08 0.42 22 T E E 60.95 7.57 26.24 34.43 124.39 -153.41 -119.46 137.98 14.34 85.47 0.19 13.02 1.10 0.18 0.10 0.11 0.00 81.42 4.07 23 A E E 10.49 23.57 13.87 36.88 111.28 -167.23 -111.46 84.80 35.77 63.64 0.59 32.79 2.20 0.54 0.20 0.43 0.00 59.78 4.06 24 S C C 63.51 6.25 20.07 27.18 119.85 -148.58 -98.70 145.67 70.77 28.24 0.99 42.04 19.40 10.38 0.13 1.07 0.00 25.44 1.54 25 G C S 55.81 2.39 20.01 22.40 97.59 14.12 82.03 -0.64 90.44 8.43 1.13 20.25 52.55 17.53 0.10 1.21 0.00 7.34 1.00 26 F C C 48.89 18.27 11.83 29.27 123.75 104.89 -105.91 146.83 88.64 9.73 1.63 43.09 36.46 9.52 0.23 1.65 0.00 6.58 2.46 27 N C C 100.89 4.04 23.09 27.25 106.85 -132.56 -93.58 91.84 93.54 5.61 0.85 73.89 11.61 7.76 0.12 0.98 0.00 4.21 1.44 28 I C C 17.17 23.32 11.22 33.76 112.96 171.34 -101.23 109.25 89.82 8.44 1.74 80.43 5.89 2.92 0.40 1.43 0.00 4.84 4.08 29 K C T 125.07 4.41 20.88 26.03 114.10 123.76 -98.31 142.10 93.16 5.21 1.63 31.34 29.73 32.23 0.23 1.60 0.00 3.59 1.25 30 D C S 91.30 5.80 20.70 27.02 96.25 11.21 57.13 30.50 91.64 7.09 1.27 16.09 41.48 34.04 0.09 1.31 0.00 6.38 0.62 31 T C C 21.30 18.97 15.83 34.58 129.66 107.81 -119.68 152.41 69.93 29.64 0.42 51.86 15.96 1.40 0.06 0.42 0.00 29.25 1.06 32 Y E E 50.54 13.02 25.34 38.81 123.02 -141.81 -114.52 138.76 15.41 84.55 0.03 14.25 0.89 0.07 0.01 0.02 0.00 84.33 0.43 33 I E E 3.38 26.19 20.80 47.57 120.70 -157.33 -114.20 130.97 1.98 98.02 0.00 1.88 0.06 0.00 0.00 0.00 0.00 98.02 0.04 34 H E E 28.91 17.01 27.78 44.31 127.94 -170.88 -121.62 142.31 0.58 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.00 35 W E E 7.85 24.39 22.99 47.29 120.96 -151.60 -109.18 134.95 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 36 V E E 11.31 19.10 23.71 42.64 129.78 -171.18 -125.92 144.00 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 37 K E E 46.98 15.11 22.21 37.19 120.92 -152.73 -109.05 134.59 0.36 99.64 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 38 Q E E 58.80 13.41 17.11 31.02 117.10 -147.71 -102.35 128.05 3.14 96.86 0.00 2.65 0.19 0.01 0.00 0.00 0.00 97.08 0.06 39 R E E 83.42 8.62 14.24 24.52 115.57 -153.41 -94.27 130.41 36.55 63.42 0.03 34.11 1.27 0.08 0.00 0.02 0.00 64.10 0.40 40 P C T 92.24 4.99 11.37 18.16 94.32 -111.38 -59.82 -34.70 92.80 0.43 6.77 0.44 3.66 87.08 0.05 8.46 0.00 0.25 0.06 41 E C T 166.04 0.55 13.20 12.25 96.55 42.60 -75.54 -23.93 93.79 0.07 6.14 0.34 2.94 88.91 0.05 7.69 0.00 0.04 0.02 42 Q C T 109.05 3.90 12.07 17.23 101.44 32.02 -103.32 -9.47 90.84 0.58 8.58 1.41 6.22 80.98 0.10 10.80 0.00 0.39 0.11 43 G E E 25.80 5.23 15.86 22.99 124.76 -130.56 83.92 -166.31 28.06 71.82 0.13 19.43 6.62 2.26 0.02 0.15 0.00 70.78 0.76 44 L E E 52.20 16.29 13.39 29.44 114.75 -16.96 -81.30 134.70 9.57 90.41 0.02 7.91 0.77 0.08 0.00 0.01 0.00 91.17 0.06 45 E E E 77.24 9.02 21.73 31.36 126.58 -170.91 -125.73 139.13 1.21 98.79 0.00 1.03 0.07 0.00 0.00 0.00 0.00 98.89 0.01 46 W E E 94.23 15.36 19.20 34.18 110.94 -114.76 -73.89 127.81 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 47 I E E 13.73 20.11 20.48 41.02 100.67 176.28 -102.20 -22.53 3.23 96.76 0.00 1.99 0.81 0.11 0.00 0.00 0.00 97.08 0.01 48 G E E 2.87 18.11 22.90 41.69 145.50 -44.26 165.35 172.34 2.64 97.36 0.00 1.65 0.50 0.04 0.00 0.00 0.00 97.80 0.01 49 R E E 63.42 14.41 25.26 39.59 133.45 -110.49 -137.82 150.00 1.10 98.90 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.98 0.01 50 I E E 12.95 21.39 18.01 39.76 119.27 -144.32 -113.04 129.13 0.94 99.06 0.00 0.81 0.08 0.00 0.00 0.00 0.00 98.77 0.33 51 D E E 37.09 8.43 21.11 31.35 109.64 -152.25 -103.32 109.44 39.47 60.52 0.01 38.70 0.59 0.03 0.00 0.01 0.00 60.29 0.38 52 P C T 40.99 16.20 13.35 30.13 92.83 -167.32 -65.79 -26.43 96.07 0.29 3.64 0.65 3.09 91.88 0.06 4.08 0.00 0.19 0.05 53 A C T 80.42 2.59 16.49 19.69 94.01 55.32 -71.28 -36.03 96.27 0.14 3.60 0.24 2.01 93.79 0.04 3.81 0.00 0.07 0.03 54 N C T 100.78 2.40 15.17 17.66 100.63 25.39 -102.99 -1.29 96.53 0.16 3.31 1.04 3.73 90.93 0.05 4.11 0.00 0.10 0.04 55 D C T 83.97 10.23 12.20 23.42 94.52 -127.16 61.43 31.31 98.93 0.59 0.48 37.65 5.19 56.15 0.09 0.34 0.00 0.48 0.10 56 N E E 85.30 3.83 20.27 24.59 121.69 127.15 -112.87 138.49 45.21 54.69 0.10 39.20 4.69 0.69 0.02 0.10 0.00 54.26 1.04 57 F E E 60.79 20.67 11.28 30.55 121.44 -152.09 -108.86 132.71 5.45 94.53 0.02 5.07 0.28 0.03 0.01 0.01 0.00 93.56 1.04 58 K E E 107.23 4.26 23.54 28.49 128.00 -173.19 -129.96 144.50 6.15 93.83 0.02 5.07 0.94 0.05 0.00 0.01 0.00 93.64 0.29 59 Y E E 82.59 18.22 13.38 30.48 121.02 -136.01 -98.62 140.31 20.54 79.41 0.05 18.95 1.56 0.09 0.02 0.03 0.00 75.05 4.30 60 D C C 34.82 13.46 12.96 27.56 109.50 -123.96 -81.55 121.52 99.04 0.94 0.02 98.85 0.43 0.03 0.00 0.00 0.00 0.62 0.07 61 P H G 108.11 2.08 16.15 19.11 91.33 -139.62 -59.81 -29.83 32.80 0.17 67.03 1.25 2.13 27.12 1.39 67.96 0.00 0.11 0.03 62 K H G 124.16 4.69 16.98 22.91 90.48 63.71 -68.76 -20.37 32.72 0.14 67.14 0.43 1.57 30.38 1.25 66.27 0.00 0.08 0.03 63 F H G 12.60 21.97 10.12 32.04 98.24 44.18 -102.60 -0.73 33.36 0.52 66.11 1.76 3.32 27.06 1.73 65.67 0.00 0.33 0.13 64 Q C T 107.52 7.49 14.70 24.35 110.03 123.49 -60.92 129.57 93.85 1.67 4.48 3.86 4.11 86.44 1.56 2.21 0.00 0.83 0.98 65 G C T 62.20 1.25 18.14 18.54 94.90 12.89 80.01 -3.79 94.76 0.41 4.84 0.94 4.13 90.57 0.95 3.00 0.00 0.26 0.16 66 K C T 96.56 9.40 18.24 28.14 100.43 76.96 -100.10 -15.09 92.39 2.46 5.14 11.18 20.60 60.78 1.29 3.67 0.00 1.99 0.49 67 A E E 6.23 23.64 12.35 35.94 133.34 40.80 -131.95 151.86 35.43 64.16 0.41 27.81 7.31 0.83 0.12 0.30 0.00 61.91 1.72 68 T E E 63.44 6.48 26.44 33.65 127.91 -160.07 -126.98 143.67 4.68 95.27 0.04 4.16 0.40 0.05 0.01 0.02 0.00 94.99 0.37 69 I E E 16.65 24.58 14.84 39.40 122.23 -157.83 -119.57 130.95 3.18 96.80 0.02 2.92 0.14 0.01 0.00 0.01 0.00 96.81 0.09 70 T E E 64.28 6.01 26.41 32.80 124.49 -174.51 -124.29 136.12 5.25 94.73 0.02 4.74 0.28 0.02 0.00 0.01 0.00 94.83 0.11 71 T E E 32.61 21.79 12.90 33.57 123.87 -163.91 -119.23 135.90 11.24 88.69 0.07 9.86 1.08 0.13 0.02 0.05 0.00 88.34 0.52 72 D E E 63.84 5.87 21.00 27.67 110.12 -157.38 -109.17 107.76 34.14 65.70 0.16 32.30 1.39 0.21 0.06 0.11 0.00 63.41 2.53 73 T C T 63.14 13.50 12.84 27.13 93.42 -168.64 -68.65 -24.02 86.36 1.17 12.47 3.89 12.14 68.47 0.40 13.98 0.00 0.84 0.27 74 S C T 91.07 1.28 17.75 18.10 93.01 56.96 -71.18 -30.72 86.61 1.00 12.39 2.22 11.65 71.04 0.39 13.77 0.00 0.64 0.29 75 S C T 58.30 4.80 17.26 22.76 98.57 33.76 -97.69 -8.66 87.81 0.39 11.80 4.19 17.17 64.12 0.35 13.78 0.00 0.24 0.16 76 N C T 48.54 15.49 15.61 31.50 94.75 -127.66 61.16 37.69 98.83 0.65 0.52 13.06 15.58 70.17 0.06 0.47 0.00 0.56 0.09 77 T E E 31.31 11.49 23.35 36.05 127.86 133.61 -120.31 145.97 20.80 79.17 0.03 18.06 2.20 0.16 0.01 0.03 0.00 78.07 1.46 78 A E E 2.73 25.48 18.90 44.97 126.67 -165.06 -124.39 140.00 2.56 97.44 0.00 2.46 0.08 0.01 0.00 0.00 0.00 97.34 0.11 79 Y E E 49.19 13.59 27.74 41.78 125.13 -164.13 -121.76 136.57 0.95 99.05 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.12 0.01 80 L E E 2.66 26.28 20.43 47.52 119.36 -160.73 -111.80 128.81 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 81 Q E E 55.44 11.34 27.47 39.30 118.25 -161.92 -111.17 126.22 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 82 L E E 6.58 24.70 17.04 42.25 117.43 -165.70 -111.40 124.99 6.60 93.40 0.00 6.72 0.06 0.00 0.00 0.00 0.00 92.78 0.44 83 S C C 46.26 8.09 22.97 31.29 124.11 -165.28 -100.26 159.02 90.68 9.23 0.09 45.40 36.65 7.43 0.00 0.14 0.00 10.13 0.24 84 S C S 68.70 4.41 24.30 28.92 95.47 11.01 58.73 49.40 97.59 2.37 0.04 12.25 76.92 8.21 0.00 0.06 0.00 2.41 0.14 85 L C C 11.78 24.84 10.66 35.40 114.80 -157.52 -74.66 135.91 97.83 2.15 0.01 97.03 1.04 0.02 0.00 0.00 0.00 1.31 0.59 86 T C C 53.18 5.43 24.50 29.80 133.67 -174.32 -125.93 167.22 97.17 2.77 0.05 96.72 0.60 0.03 0.02 0.02 0.00 0.91 1.70 87 S H G 59.60 12.10 16.16 28.48 90.79 -97.35 -60.91 -29.74 8.18 0.09 91.73 0.52 0.73 5.70 0.53 92.45 0.00 0.06 0.01 88 E H G 124.47 3.75 21.80 26.27 90.64 63.13 -71.35 -16.42 7.14 0.11 92.75 0.39 0.59 5.11 0.43 93.40 0.00 0.08 0.01 89 D H G 11.00 22.00 16.11 38.29 94.30 63.54 -84.02 -1.47 8.91 0.20 90.89 3.22 1.21 2.54 0.55 92.32 0.00 0.13 0.02 90 T C C 34.88 16.85 21.42 37.97 115.51 107.98 -80.95 134.36 89.28 9.97 0.75 85.44 3.89 0.35 0.15 0.54 0.00 9.09 0.53 91 A E E 12.84 17.83 23.63 40.94 143.62 143.25 -157.92 170.50 5.59 94.35 0.07 5.25 0.38 0.05 0.02 0.04 0.00 93.53 0.73 92 V E E 30.84 16.03 25.57 41.38 119.03 -108.47 -103.52 131.48 1.58 98.41 0.01 1.59 0.07 0.01 0.00 0.01 0.00 98.26 0.06 93 Y E E 7.66 24.87 21.14 45.91 124.01 -166.51 -114.63 138.35 1.03 98.95 0.02 0.97 0.07 0.02 0.00 0.01 0.00 98.89 0.03 94 Y E E 30.54 17.79 27.37 44.53 128.33 -169.37 -123.82 143.96 1.70 98.27 0.03 1.47 0.12 0.03 0.00 0.02 0.00 98.29 0.06 95 C E E 3.05 25.44 21.91 47.37 127.79 -166.02 -121.76 141.84 6.65 93.26 0.09 5.51 0.69 0.10 0.02 0.04 0.00 93.44 0.21 96 A E E 11.84 16.62 25.93 42.57 131.54 -172.43 -128.56 148.98 9.92 89.70 0.38 8.32 1.12 0.29 0.09 0.20 0.00 89.69 0.30 97 S E E 16.20 19.50 20.39 39.38 123.83 -146.18 -111.82 139.51 10.46 89.04 0.50 8.49 1.58 0.50 0.13 0.26 0.00 88.67 0.37 98 V E E 36.75 12.55 20.26 33.74 124.44 -163.59 -120.82 137.34 10.27 89.36 0.38 8.36 1.68 0.44 0.12 0.21 0.00 88.64 0.56 99 I E E 65.85 10.32 15.93 27.54 116.61 -142.19 -100.79 128.85 20.34 79.17 0.49 16.83 3.11 0.75 0.16 0.31 0.00 77.66 1.18 100 T C C 53.15 9.04 11.66 22.17 118.41 -148.94 -92.68 155.37 60.79 38.38 0.83 50.14 6.80 2.08 0.18 0.65 0.00 38.94 1.22 101 T C T 109.89 2.25 12.09 15.19 96.84 -108.83 -71.75 -18.54 85.54 10.31 4.16 12.18 23.15 50.48 0.51 3.56 0.01 8.96 1.15 102 T C T 104.16 1.65 11.65 13.88 99.73 48.25 -90.45 8.98 94.63 1.20 4.17 8.14 22.15 64.23 0.49 3.81 0.00 0.83 0.35 103 G C S 48.27 3.30 12.92 17.37 104.19 -89.59 89.22 -3.56 89.28 6.96 3.75 18.53 44.93 26.32 0.40 3.36 0.00 5.38 1.09 104 Y C C 117.50 7.19 12.86 21.39 117.63 93.39 -98.27 135.14 71.63 26.60 1.77 49.78 13.32 7.73 0.39 1.50 0.01 25.00 2.26 105 A E E 42.49 11.84 14.89 27.39 120.81 -156.87 -109.36 141.77 35.28 63.61 1.11 25.82 8.42 2.95 0.32 0.88 0.01 58.96 2.63 106 L E E 45.84 14.44 17.43 32.21 122.80 -152.80 -110.87 140.41 22.82 76.86 0.32 18.56 3.59 1.02 0.07 0.25 0.00 75.63 0.87 107 D E E 48.92 14.75 20.12 34.52 120.27 -142.75 -101.20 137.18 15.56 84.29 0.15 12.17 2.70 0.48 0.03 0.10 0.00 84.19 0.34 108 Y E E 52.99 17.36 20.40 37.13 126.71 -168.92 -121.71 138.43 9.12 90.76 0.12 8.05 0.85 0.20 0.04 0.07 0.00 89.63 1.15 109 W E E 64.23 16.99 21.00 37.17 120.37 -151.51 -105.06 136.48 21.91 77.84 0.25 19.32 1.92 0.60 0.09 0.17 0.00 75.45 2.46 110 G C C 11.75 18.64 18.59 36.33 122.92 -136.46 -82.73 173.55 71.10 28.59 0.31 50.08 17.36 2.96 0.04 0.33 0.00 28.19 1.04 111 Q C C 103.57 7.74 23.48 31.28 99.62 -76.28 -79.22 0.53 80.52 19.10 0.38 42.56 32.62 5.19 0.04 0.41 0.00 18.16 1.01 112 G C C 19.33 16.11 19.20 34.24 124.39 -116.96 84.42 173.65 77.30 22.48 0.22 58.85 14.09 2.77 0.02 0.25 0.00 23.38 0.63 113 T E E 25.69 18.54 19.20 37.23 125.26 -101.53 -111.88 142.70 16.98 82.98 0.05 15.47 1.16 0.10 0.01 0.04 0.00 82.36 0.86 114 S E E 50.74 9.86 24.86 34.77 119.42 -135.27 -101.09 133.92 3.04 96.96 0.00 2.77 0.16 0.01 0.00 0.00 0.00 96.90 0.15 115 V E E 7.95 24.56 15.39 40.19 121.48 -165.16 -114.30 130.66 2.21 97.79 0.00 2.18 0.07 0.00 0.00 0.00 0.00 97.70 0.04 116 T E E 60.44 7.09 25.38 32.77 120.01 -161.33 -109.71 132.54 2.24 97.76 0.00 2.16 0.10 0.01 0.00 0.00 0.00 97.56 0.17 117 V E E 23.89 21.29 12.78 33.31 120.17 -160.58 -108.05 132.03 9.84 90.13 0.03 9.15 0.51 0.07 0.01 0.02 0.00 89.42 0.83 118 S E E 57.60 5.78 17.57 24.23 125.60 -166.03 -113.26 155.31 44.80 55.09 0.11 43.24 0.80 0.21 0.03 0.08 0.00 54.49 1.16 119 S C C 73.50 6.65 15.32 23.00 108.68 -105.08 -80.75 122.23 99.74 0.24 0.01 99.68 0.10 0.03 0.00 0.00 0.00 0.17 0.01