# 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 M C C 107.51 6.49 13.76 21.71 117.03 -157.50 -98.20 132.05 99.85 0.14 0.01 99.73 0.17 0.02 0.00 0.00 0.00 0.05 0.03 1 D C C 62.40 9.45 11.11 21.95 109.04 -137.35 -89.61 111.61 99.13 0.36 0.51 98.69 0.30 0.37 0.22 0.09 0.00 0.10 0.25 2 V C T 83.79 5.83 14.73 22.23 94.10 -162.13 -69.42 -19.45 79.73 0.48 19.79 8.82 6.86 64.21 6.68 12.77 0.00 0.25 0.41 3 F C T 53.79 15.53 10.61 26.00 95.87 59.72 -85.80 -5.50 75.88 0.57 23.55 6.96 6.30 62.16 7.67 16.14 0.01 0.28 0.49 4 A C T 61.05 7.73 13.67 22.82 93.78 89.67 -64.23 -28.48 60.40 0.67 38.93 6.02 7.65 45.11 9.15 31.27 0.01 0.35 0.44 5 K C T 152.36 1.89 16.55 18.44 97.08 48.66 -89.85 0.11 63.41 0.96 35.63 6.54 9.24 46.62 8.93 27.46 0.03 0.52 0.67 6 H C C 86.32 10.80 12.58 24.03 111.74 73.17 -100.46 112.75 69.61 6.92 23.46 31.99 22.41 16.14 7.78 13.92 0.11 2.64 5.01 7 A C C 46.06 10.85 12.74 24.44 115.14 -133.37 -89.46 138.76 88.76 6.93 4.31 69.10 14.69 3.82 2.29 2.02 0.00 2.91 5.16 8 V C C 100.49 6.20 15.43 22.73 99.30 -148.60 -82.68 -16.73 91.49 3.36 5.15 55.21 28.06 8.25 2.03 2.88 0.00 1.45 2.11 9 S C C 49.11 5.72 17.90 24.47 132.13 22.54 -136.74 160.86 88.68 4.66 6.66 53.74 23.48 11.15 1.80 4.68 0.00 1.81 3.33 10 L C T 86.12 13.07 12.58 25.71 93.16 -108.14 -68.08 -19.00 93.17 1.25 5.58 9.33 19.19 64.26 1.03 4.79 0.00 0.72 0.68 11 E C T 137.53 2.80 18.53 21.82 95.17 60.65 -89.86 -2.80 92.22 2.76 5.02 10.69 17.57 63.55 0.78 4.61 0.00 1.77 1.03 12 S C S 34.48 11.45 13.99 26.90 119.86 103.30 -81.91 147.37 95.88 3.70 0.41 40.22 55.00 1.08 0.11 0.25 0.00 1.58 1.76 13 P C C 66.24 9.35 20.05 29.65 114.53 -99.93 -69.82 152.25 93.35 5.53 1.12 53.78 32.83 6.91 0.23 1.05 0.00 3.39 1.80 14 A C C 16.84 22.35 12.87 34.61 112.42 -106.51 -74.54 135.03 63.14 35.02 1.84 49.66 8.83 4.33 0.53 1.62 0.01 26.45 8.58 15 V C E 80.94 7.12 21.34 29.01 103.32 -178.39 -100.37 -25.46 50.85 47.81 1.33 26.91 22.23 4.86 0.30 1.16 0.02 41.39 3.15 16 R E E 122.58 5.38 22.96 28.89 131.52 15.93 -140.09 144.74 38.92 59.86 1.22 20.18 16.22 5.03 0.20 0.98 0.01 55.63 1.76 17 H E E 64.29 20.38 13.87 32.75 127.00 -160.52 -121.21 141.52 37.01 62.26 0.73 31.01 5.17 1.03 0.17 0.54 0.00 60.73 1.36 18 Y E E 77.75 10.50 20.82 32.12 132.60 -174.87 -136.11 148.95 13.68 86.11 0.21 11.69 1.82 0.22 0.07 0.11 0.00 84.53 1.55 19 E E E 108.46 7.47 22.05 30.26 113.78 -106.91 -74.46 137.61 18.93 81.01 0.07 17.28 1.27 0.11 0.02 0.04 0.00 80.59 0.70 20 I C C 24.04 22.56 13.39 35.51 115.41 -145.92 -99.39 127.55 52.02 47.89 0.09 47.51 3.34 0.23 0.04 0.07 0.00 45.46 3.35 21 T C C 48.72 8.38 21.86 31.10 126.04 -175.19 -125.96 139.31 76.38 23.55 0.07 70.58 5.64 0.30 0.02 0.06 0.00 20.17 3.23 22 P C S 65.81 13.45 15.94 29.47 94.83 -129.05 -70.38 -14.84 94.59 5.11 0.30 32.84 49.90 12.01 0.04 0.33 0.00 4.10 0.79 23 S C C 54.15 5.77 18.44 25.08 115.98 84.73 -103.92 124.35 92.73 6.30 0.97 52.71 27.77 12.34 0.18 0.93 0.00 2.58 3.49 24 D C T 73.11 13.45 11.00 24.51 95.19 -154.27 -75.93 -4.27 95.34 2.18 2.48 10.82 30.29 53.89 0.20 2.67 0.00 1.17 0.96 25 S C T 92.88 1.15 16.60 16.85 95.24 66.76 -87.74 -8.25 95.92 1.85 2.24 9.84 30.28 55.62 0.21 2.30 0.00 1.10 0.64 26 T C S 66.22 6.63 13.29 21.62 121.32 74.57 -104.64 139.47 92.09 6.15 1.76 32.18 55.39 4.48 0.38 1.36 0.00 2.90 3.31 27 D C C 102.68 4.14 17.47 23.05 113.79 -115.52 -76.74 134.69 91.94 7.27 0.79 83.83 5.91 1.61 0.26 0.53 0.00 3.41 4.45 28 L C C 19.64 23.11 8.89 30.54 113.96 -128.02 -86.85 130.28 92.24 7.01 0.74 88.40 2.65 1.01 0.25 0.39 0.00 2.78 4.52 29 A C S 77.99 2.69 20.71 23.35 94.43 -143.03 -71.78 -25.65 98.10 1.61 0.30 35.25 54.96 8.04 0.05 0.27 0.00 0.94 0.49 30 R C S 108.14 7.02 20.56 28.42 129.46 28.47 -130.90 146.40 97.11 2.67 0.22 8.61 83.40 5.57 0.03 0.14 0.00 1.62 0.63 31 R C C 96.36 14.20 21.80 35.08 114.92 -112.65 -79.18 133.95 94.54 5.41 0.05 78.31 16.42 0.28 0.01 0.05 0.00 3.99 0.96 32 P C C 4.05 25.26 15.66 42.08 116.28 -116.37 -69.87 145.48 73.69 26.28 0.02 73.85 1.02 0.06 0.00 0.02 0.00 23.21 1.83 33 R C S 80.04 11.11 26.21 38.41 99.82 -164.57 -95.12 -27.52 57.68 42.31 0.01 9.28 49.42 0.20 0.00 0.01 0.00 40.87 0.23 34 A E E 8.45 18.59 26.70 45.26 142.39 6.46 -154.28 151.65 1.39 98.61 0.00 1.03 0.18 0.01 0.00 0.00 0.00 98.76 0.02 35 L E E 1.44 28.02 23.65 52.29 124.03 -157.32 -125.59 132.88 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 36 R E E 47.25 14.79 29.21 44.27 118.83 -164.02 -114.35 126.71 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 37 V E E 3.91 25.39 18.72 44.83 114.47 -160.80 -105.27 119.99 6.37 93.63 0.00 6.42 0.07 0.00 0.00 0.00 0.00 93.39 0.11 38 Q C E 77.09 8.18 24.63 33.50 99.21 174.77 -95.45 -22.97 59.30 40.67 0.03 20.62 36.25 1.68 0.00 0.04 0.00 41.18 0.24 39 T C S 61.72 5.29 24.91 30.40 136.16 18.68 -140.96 161.80 70.96 28.97 0.07 4.22 63.23 3.11 0.00 0.05 0.00 28.94 0.45 40 G C C 29.73 11.69 20.21 31.73 120.76 -88.20 -73.09 158.37 82.88 17.06 0.06 46.64 34.14 1.30 0.00 0.08 0.00 17.44 0.40 41 G E E 16.89 7.60 22.62 32.41 142.05 91.31 153.35 -170.67 22.21 77.77 0.02 14.11 8.42 0.24 0.00 0.02 0.00 76.40 0.82 42 T E E 55.42 8.38 25.23 34.46 120.63 -55.83 -107.45 136.54 5.02 94.97 0.00 4.48 0.27 0.01 0.00 0.00 0.00 95.16 0.08 43 L E E 2.26 27.07 16.24 44.63 123.21 -164.83 -117.97 137.49 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 44 V E E 31.47 10.04 27.82 39.41 119.75 -159.92 -114.03 129.62 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 45 L E E 3.03 26.03 17.85 44.85 122.13 -166.27 -113.20 131.99 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 46 R E E 69.55 8.87 24.72 34.35 119.20 -161.07 -112.50 126.90 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.01 47 D E E 15.25 17.63 13.96 32.17 124.59 -146.16 -87.72 172.74 30.43 69.54 0.03 29.52 0.63 0.05 0.01 0.02 0.00 69.15 0.62 48 E C T 112.34 8.71 15.00 24.77 91.07 -95.19 -64.08 -22.58 98.58 0.61 0.81 0.42 3.23 95.09 0.02 0.74 0.00 0.44 0.06 49 T C T 99.82 1.82 15.11 16.97 93.31 56.91 -86.84 0.54 99.06 0.17 0.76 0.24 2.88 95.99 0.02 0.75 0.00 0.10 0.03 50 G C S 47.77 3.93 13.57 18.90 97.52 -102.97 88.51 5.64 97.95 1.33 0.73 18.78 77.04 2.38 0.06 0.60 0.00 0.78 0.36 51 I C C 83.86 4.91 14.53 21.29 116.28 141.55 -77.51 140.11 95.07 4.91 0.01 94.95 0.75 0.05 0.00 0.01 0.00 3.99 0.25 52 T E E 80.10 8.95 14.65 25.18 120.12 -147.08 -110.66 132.85 2.32 97.67 0.00 2.24 0.08 0.00 0.00 0.00 0.00 97.47 0.20 53 V E E 36.84 14.08 15.41 30.54 124.85 -172.03 -124.56 135.92 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 54 T E E 76.89 8.59 18.53 28.49 121.41 -155.95 -112.13 131.34 0.69 99.31 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.01 55 Y E E 41.99 17.40 15.76 33.35 125.99 -174.80 -128.39 135.65 3.01 96.98 0.01 2.69 0.19 0.02 0.00 0.00 0.00 97.04 0.05 56 T E E 82.53 4.96 23.96 29.59 113.07 -132.87 -87.80 126.53 9.07 90.91 0.02 8.05 0.61 0.04 0.00 0.01 0.00 91.13 0.16 57 V E E 7.10 24.85 11.44 36.40 120.77 -168.12 -115.74 131.02 33.23 66.70 0.07 31.89 1.14 0.08 0.03 0.04 0.00 64.18 2.62 58 F C C 107.82 3.85 23.45 26.74 120.32 -137.48 -86.40 152.62 83.92 15.89 0.19 80.23 3.42 0.45 0.06 0.14 0.00 13.63 2.07 59 A C T 58.38 10.50 14.85 26.08 109.93 -81.31 -59.97 134.85 95.98 3.45 0.57 1.29 6.94 88.42 0.04 0.48 0.00 2.38 0.46 60 G C T 45.33 4.55 18.90 24.32 96.29 21.75 87.97 -5.92 96.96 2.68 0.36 2.04 6.17 88.64 0.02 0.37 0.00 2.66 0.11 61 E C C 71.59 10.38 17.23 28.67 119.48 126.78 -83.29 144.48 66.33 33.56 0.12 60.46 4.79 0.33 0.02 0.11 0.00 32.99 1.29 62 I E E 78.76 11.51 20.15 31.92 116.71 -134.96 -99.54 128.03 9.44 90.53 0.03 8.87 0.56 0.04 0.02 0.02 0.00 86.34 4.16 63 L E E 10.52 23.42 17.11 40.65 115.83 -157.72 -105.00 123.57 15.63 84.36 0.00 14.54 0.57 0.02 0.00 0.00 0.00 84.51 0.36 64 P E E 50.45 9.05 26.45 36.46 109.12 -127.07 -75.23 126.10 22.88 77.10 0.01 17.55 4.31 0.17 0.00 0.01 0.00 77.73 0.22 65 V E E 3.74 26.31 17.54 44.45 130.73 163.62 -132.58 147.57 14.50 85.48 0.02 12.53 1.80 0.09 0.01 0.02 0.00 84.13 1.43 66 R E E 80.23 10.50 28.44 39.74 124.01 -159.50 -123.80 133.76 15.83 84.16 0.01 14.97 0.48 0.02 0.00 0.00 0.00 84.13 0.39 67 P E E 4.83 25.63 16.59 42.93 112.30 -121.20 -71.77 133.97 8.93 91.06 0.01 9.00 0.15 0.01 0.00 0.01 0.00 90.57 0.27 68 V E E 61.85 7.85 24.69 33.45 100.98 176.74 -97.28 -31.74 9.80 90.18 0.02 5.02 4.74 0.12 0.00 0.01 0.00 90.02 0.09 69 R E E 83.92 8.12 26.19 35.46 140.01 2.18 -154.51 149.18 1.24 98.75 0.01 0.85 0.25 0.02 0.00 0.00 0.00 98.85 0.02 70 V E E 10.30 25.41 16.50 42.17 119.55 -155.72 -119.65 123.89 0.73 99.27 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.22 0.10 71 L E E 64.46 8.80 25.87 34.87 111.77 -164.14 -104.11 113.30 11.33 88.64 0.02 9.74 1.19 0.07 0.01 0.01 0.00 88.69 0.29 72 A C C 35.01 17.73 17.26 34.02 110.04 -109.57 -96.99 123.31 61.29 38.49 0.21 53.05 5.76 0.72 0.04 0.18 0.00 39.25 1.00 73 T C C 68.83 8.68 19.20 28.37 116.09 147.40 -102.35 137.02 75.78 23.46 0.75 31.61 25.43 19.67 0.13 0.75 0.00 19.67 2.73 74 G C S 51.64 3.60 21.50 25.25 97.48 0.73 79.66 8.70 85.43 14.12 0.45 16.73 46.29 22.16 0.04 0.51 0.00 13.05 1.21 75 T C C 28.99 18.49 13.86 31.83 127.05 120.42 -102.77 153.21 76.15 23.63 0.22 61.83 12.87 1.29 0.07 0.21 0.00 19.45 4.29 76 T C C 71.36 6.50 25.51 32.70 107.01 -140.29 -104.48 55.24 64.76 35.07 0.18 51.85 11.63 0.98 0.06 0.17 0.00 27.26 8.05 77 A C C 7.85 25.21 14.11 39.12 117.24 -136.08 -86.22 137.43 58.72 41.05 0.23 51.21 5.65 0.71 0.05 0.23 0.00 38.63 3.50 78 T C E 64.82 6.97 24.96 32.54 103.05 175.18 -102.26 -22.50 60.59 39.20 0.21 24.56 32.88 3.13 0.02 0.27 0.00 38.44 0.70 79 A E E 43.46 9.01 25.10 34.54 131.67 5.85 -150.89 139.59 23.49 76.32 0.19 13.75 8.36 2.03 0.02 0.23 0.00 75.29 0.33 80 V E E 15.08 24.17 16.28 39.93 123.52 -167.00 -119.06 132.31 7.15 92.79 0.06 6.23 0.86 0.13 0.02 0.05 0.00 92.33 0.39 81 G E E 19.86 10.93 24.07 35.30 136.72 170.58 -139.04 160.91 3.21 96.76 0.02 2.75 0.28 0.05 0.01 0.01 0.00 96.62 0.28 82 W E E 82.78 16.81 16.07 32.11 128.74 -147.40 -128.88 141.72 8.19 91.79 0.02 7.65 0.26 0.04 0.01 0.01 0.00 91.48 0.55 83 E C C 94.80 9.64 19.79 29.35 114.52 -140.58 -94.65 127.48 97.04 2.96 0.00 97.04 0.08 0.01 0.00 0.00 0.00 2.84 0.03