# 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 114.32 5.37 11.45 18.26 112.78 -157.71 -89.18 131.94 99.91 0.07 0.02 99.84 0.08 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 71.08 4.10 10.15 15.86 113.68 -152.07 -92.77 139.87 89.92 3.16 6.92 86.07 1.37 3.85 3.37 2.21 0.00 1.91 1.23 2 E C C 126.64 3.62 10.17 15.34 106.40 -139.98 -84.55 92.32 79.43 5.25 15.32 59.01 11.51 8.85 5.98 9.34 0.00 3.26 2.05 3 R C C 140.71 5.53 10.00 16.96 103.08 70.02 -80.69 -1.20 68.28 3.92 27.80 39.26 12.99 16.63 6.66 20.71 0.01 2.37 1.36 4 N C C 106.33 4.13 11.87 17.38 101.32 56.72 -85.48 4.64 68.94 2.73 28.33 31.34 16.11 22.33 6.28 21.31 0.02 1.51 1.09 5 Q C C 108.57 5.16 12.55 19.19 107.72 83.49 -89.61 82.58 72.63 3.78 23.59 39.54 17.21 16.30 5.22 18.20 0.01 2.35 1.16 6 R C C 115.55 9.58 11.94 22.44 116.09 150.46 -92.44 134.69 82.03 10.95 7.02 56.70 19.33 6.40 2.35 4.51 0.00 9.37 1.34 7 K C C 103.79 7.59 16.53 25.11 116.62 -140.11 -93.63 136.84 65.09 32.02 2.89 53.24 8.15 2.89 0.94 1.80 0.00 31.62 1.36 8 V E E 66.04 12.07 16.32 28.83 120.64 -146.31 -106.85 133.00 38.54 60.93 0.53 34.17 3.28 0.52 0.18 0.30 0.00 60.62 0.95 9 Y E E 43.44 16.16 16.54 33.18 126.06 -170.07 -120.21 142.61 16.29 83.61 0.11 14.73 1.10 0.15 0.03 0.06 0.00 83.29 0.62 10 Q E E 90.60 8.47 22.72 31.85 122.31 -150.18 -115.41 136.93 9.12 90.84 0.04 8.05 0.62 0.07 0.01 0.02 0.00 90.97 0.26 11 G E E 9.18 18.86 16.93 35.68 142.41 151.67 -156.82 166.98 4.67 95.31 0.02 3.57 0.69 0.07 0.00 0.01 0.00 95.61 0.05 12 R E E 111.65 6.16 24.60 31.66 126.06 -102.60 -123.14 142.08 1.63 98.36 0.01 1.37 0.10 0.01 0.00 0.00 0.00 98.47 0.04 13 V E E 27.55 20.87 13.37 34.23 109.99 -113.90 -75.16 126.48 2.02 97.96 0.02 1.86 0.07 0.01 0.00 0.01 0.00 97.97 0.09 14 V E E 70.47 6.56 20.36 27.88 102.15 176.42 -100.71 -26.71 9.16 90.72 0.12 6.62 2.26 0.31 0.02 0.08 0.00 90.47 0.23 15 S E E 51.12 6.46 19.34 26.79 137.08 4.40 -150.87 153.48 28.20 71.51 0.29 16.63 10.68 1.39 0.05 0.21 0.00 70.61 0.42 16 D C C 71.42 12.33 12.63 25.02 115.21 -166.33 -122.34 115.84 61.42 37.67 0.91 44.65 12.63 2.96 0.15 0.76 0.00 38.23 0.62 17 K C S 135.84 3.93 15.00 19.95 103.43 155.68 -92.96 6.13 71.30 26.46 2.25 29.10 30.07 13.22 0.34 2.00 0.01 23.75 1.51 18 M C C 93.42 6.31 11.96 19.70 116.60 90.34 -105.21 146.73 69.91 26.44 3.65 28.84 25.48 17.26 0.70 3.10 0.04 18.82 5.75 19 D C T 116.07 2.37 15.49 18.42 97.76 -87.78 -66.21 -20.74 98.13 0.63 1.23 5.03 37.15 56.05 0.11 1.09 0.00 0.40 0.18 20 K C T 109.94 8.88 15.01 24.26 100.71 10.42 -103.53 6.03 98.15 1.04 0.81 3.27 39.29 55.77 0.04 0.71 0.00 0.78 0.13 21 T E E 35.35 10.89 17.69 30.11 130.07 72.71 -128.59 146.72 21.73 78.16 0.12 15.37 6.00 0.77 0.03 0.10 0.00 76.72 1.01 22 I E E 11.59 20.07 16.67 37.56 122.66 -157.13 -116.35 134.40 5.20 94.80 0.00 4.71 0.17 0.01 0.00 0.00 0.00 95.05 0.07 23 T E E 27.21 10.55 24.61 36.54 119.14 -155.24 -109.82 130.95 0.62 99.38 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 24 V E E 5.46 23.28 17.55 41.50 120.39 -165.48 -115.43 130.43 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 25 V E E 34.05 9.67 24.30 35.36 116.89 -155.99 -104.92 127.76 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 26 V E E 11.43 20.23 16.20 36.96 123.35 -169.91 -119.20 134.02 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 27 E E E 75.45 8.45 21.16 30.33 118.33 -149.04 -101.60 131.51 1.64 98.35 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.49 0.01 28 T E E 27.38 13.91 15.10 30.18 130.03 174.87 -130.72 151.88 3.07 96.92 0.01 2.71 0.12 0.01 0.00 0.00 0.00 97.12 0.03 29 Y E E 108.33 8.13 16.31 25.75 119.27 -137.04 -106.35 132.72 2.57 97.42 0.01 2.19 0.17 0.02 0.00 0.01 0.00 97.56 0.05 30 K E E 84.42 8.30 15.01 24.79 127.92 -173.65 -127.29 145.85 2.38 97.60 0.02 2.00 0.17 0.03 0.01 0.01 0.00 97.74 0.05 31 K E E 122.65 4.43 13.48 19.65 114.66 -120.05 -88.28 130.79 3.47 96.48 0.04 3.13 0.26 0.03 0.03 0.02 0.00 95.87 0.66 32 H C C 50.20 10.56 7.74 19.82 110.35 -136.37 -87.99 120.54 54.03 45.86 0.10 52.69 0.93 0.19 0.03 0.05 0.00 45.18 0.92 33 T C T 114.23 0.96 11.69 12.69 93.20 -148.25 -66.24 -27.83 98.31 0.29 1.41 0.43 2.96 95.08 0.06 1.20 0.00 0.20 0.06 34 L C T 128.06 1.33 10.79 12.67 97.45 48.43 -75.50 -38.66 98.61 0.15 1.24 0.19 2.37 96.30 0.04 0.97 0.00 0.08 0.05 35 Y C T 133.05 3.14 10.03 14.60 101.54 23.40 -105.50 -11.13 98.84 0.17 0.99 0.42 2.46 96.18 0.05 0.77 0.00 0.09 0.04 36 G C C 53.25 2.33 11.20 14.99 95.96 -125.35 73.87 10.46 98.69 1.00 0.30 56.37 6.11 36.17 0.06 0.21 0.00 0.95 0.14 37 K C C 111.59 3.01 12.01 16.74 124.69 125.63 -106.76 151.27 72.38 27.58 0.04 67.54 2.67 0.21 0.01 0.03 0.00 29.18 0.35 38 R E E 139.28 6.12 11.56 19.68 117.18 -121.08 -92.90 134.73 1.42 98.58 0.00 1.28 0.06 0.00 0.00 0.00 0.00 98.56 0.10 39 V E E 48.62 9.49 12.54 24.07 125.18 -171.64 -122.89 142.23 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 40 K E E 123.03 6.23 14.46 22.70 118.94 -142.02 -102.54 133.60 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 41 Y E E 76.70 10.15 13.69 25.49 129.49 -177.14 -132.49 148.73 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 42 S E E 60.81 8.63 14.76 24.83 124.64 -152.14 -117.26 142.01 1.69 98.31 0.00 1.51 0.04 0.00 0.00 0.00 0.00 98.44 0.01 43 K E E 78.77 10.23 15.74 27.08 131.23 -174.65 -133.88 147.16 2.33 97.67 0.00 2.12 0.10 0.00 0.00 0.00 0.00 97.73 0.03 44 K E E 115.59 7.26 18.40 27.01 118.79 -133.95 -102.13 132.76 4.46 95.54 0.00 4.11 0.29 0.01 0.00 0.00 0.00 95.52 0.07 45 F E E 26.21 18.81 15.43 34.53 129.66 -173.93 -127.52 146.47 6.11 93.88 0.00 5.90 0.20 0.01 0.00 0.00 0.00 93.76 0.14 46 K E E 88.04 9.17 24.06 33.73 122.16 -143.58 -104.31 140.07 5.90 94.10 0.00 5.82 0.15 0.01 0.00 0.00 0.00 93.71 0.31 47 A E E 5.83 23.67 16.76 40.56 132.70 -175.80 -133.68 149.41 14.09 85.90 0.02 13.53 0.46 0.03 0.01 0.01 0.00 85.14 0.82 48 H E E 65.75 9.85 23.84 34.27 123.69 -151.13 -118.65 136.05 20.94 79.00 0.06 19.28 1.43 0.11 0.02 0.04 0.00 75.00 4.11 49 D C C 19.83 19.41 13.75 32.95 110.46 -159.71 -110.72 105.24 85.88 13.95 0.18 83.70 1.85 0.37 0.04 0.12 0.00 12.85 1.06 50 E C T 123.91 4.37 17.32 23.14 94.45 -171.37 -68.11 -27.48 95.88 1.46 2.66 21.81 17.31 56.05 0.19 3.23 0.00 1.01 0.40 51 N C T 107.84 2.44 17.73 20.06 96.17 41.22 -93.77 4.21 96.42 0.67 2.91 4.73 28.33 62.94 0.14 3.22 0.00 0.40 0.25 52 N C S 81.63 11.93 13.58 26.04 93.97 -120.49 62.59 32.76 95.85 2.10 2.05 29.53 56.63 9.31 0.18 2.30 0.00 1.19 0.86 53 Q C C 103.70 4.70 22.14 27.29 102.24 123.75 -97.94 7.05 93.67 5.89 0.44 86.08 5.50 1.78 0.13 0.35 0.00 2.61 3.54 54 A C C 7.77 24.53 10.67 34.45 124.10 135.50 -101.28 145.62 94.03 5.83 0.15 92.52 2.20 0.29 0.04 0.10 0.00 2.61 2.25 55 K C C 115.70 3.03 25.02 28.29 131.00 -164.19 -127.19 155.61 94.81 5.11 0.08 94.24 1.33 0.18 0.03 0.04 0.00 1.80 2.38 56 I C T 90.42 12.10 16.07 28.41 110.51 -82.42 -59.45 135.07 99.51 0.37 0.12 0.19 1.59 97.90 0.00 0.07 0.00 0.16 0.08 57 G C T 36.58 5.63 20.52 27.34 96.71 26.36 89.69 -7.26 99.90 0.06 0.04 0.26 1.62 98.05 0.00 0.03 0.00 0.04 0.00 58 D C C 27.87 14.71 17.59 33.55 117.80 133.37 -71.10 145.44 97.19 2.81 0.00 96.00 1.37 0.01 0.00 0.00 0.00 2.55 0.06 59 I E E 52.89 10.97 24.26 36.02 115.81 -128.51 -94.87 131.31 0.61 99.39 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.24 0.11 60 V E E 3.45 25.74 17.06 43.49 131.33 -175.24 -128.48 151.56 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 61 K E E 64.24 9.72 26.96 37.69 118.70 -132.19 -100.82 133.87 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 62 I E E 8.39 24.61 16.82 41.79 119.32 -153.70 -106.37 129.47 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 63 M E E 55.42 9.87 23.80 34.11 129.11 -174.47 -124.14 150.57 1.09 98.90 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.01 64 E E E 87.22 11.49 19.09 30.63 114.82 -108.35 -79.58 136.70 3.98 96.00 0.02 3.51 0.28 0.03 0.00 0.01 0.00 96.08 0.09 65 T E E 30.83 15.11 13.27 28.80 131.84 -175.52 -128.97 155.07 34.87 65.05 0.08 31.89 2.13 0.16 0.02 0.05 0.00 65.03 0.73 66 R C C 159.18 2.40 17.76 20.52 115.20 -110.12 -92.22 135.13 66.95 32.87 0.19 52.26 13.05 0.82 0.03 0.16 0.00 32.88 0.79 67 P C C 63.54 11.69 9.17 21.23 112.75 -108.46 -67.69 140.84 78.13 20.92 0.96 62.85 11.54 3.23 0.21 0.80 0.00 19.52 1.84 68 L C S 124.61 2.04 12.57 15.61 98.78 -162.74 -85.95 -28.21 89.02 9.88 1.10 27.61 51.44 10.44 0.19 1.00 0.00 7.23 2.09 69 S C S 57.61 2.51 13.35 16.56 135.14 6.07 -148.00 166.47 89.27 9.36 1.37 24.40 53.76 11.48 0.24 1.22 0.00 5.61 3.30 70 A C S 92.76 2.20 11.19 14.81 92.40 -99.54 -66.80 -23.47 96.97 0.74 2.29 4.60 60.05 32.73 0.25 1.69 0.00 0.41 0.27 71 T C S 96.29 2.57 14.18 17.33 99.74 55.24 -92.76 -9.63 95.25 2.90 1.85 6.49 58.71 30.50 0.18 1.47 0.00 2.16 0.50 72 K C C 74.80 10.95 13.74 25.65 117.62 53.43 -108.00 128.34 65.83 33.16 1.02 50.76 11.06 3.46 0.21 0.89 0.00 31.38 2.25 73 R E E 67.09 12.37 18.52 31.63 128.82 94.35 -123.52 147.90 38.96 60.89 0.16 33.94 3.76 0.43 0.05 0.10 0.00 60.77 0.94 74 F E E 17.89 21.19 17.08 38.41 125.17 -148.21 -116.57 141.35 10.79 89.14 0.07 9.63 0.64 0.06 0.03 0.02 0.00 89.46 0.17 75 R E E 78.83 9.87 25.42 35.78 125.56 -160.62 -121.74 137.96 0.87 99.08 0.05 0.79 0.03 0.00 0.04 0.00 0.00 99.09 0.03 76 L E E 19.76 21.63 15.31 37.32 109.70 -117.10 -75.27 125.50 0.50 99.47 0.03 0.49 0.01 0.00 0.02 0.00 0.00 99.45 0.02 77 V E E 61.54 8.15 20.94 30.06 101.53 176.10 -98.07 -32.62 1.43 98.41 0.16 1.09 0.17 0.03 0.05 0.03 0.00 98.61 0.01 78 E E E 91.97 4.14 23.78 28.31 137.44 -1.08 -150.73 149.59 1.04 98.81 0.15 0.83 0.09 0.02 0.04 0.03 0.00 98.98 0.01 79 V E E 50.51 17.59 13.08 30.11 111.80 -129.02 -88.54 120.67 2.17 97.62 0.21 2.14 0.06 0.02 0.11 0.04 0.00 97.57 0.05 80 V E E 66.11 7.26 17.32 25.96 101.94 177.41 -94.56 -32.27 14.74 84.40 0.85 11.72 2.50 0.43 0.41 0.31 0.00 84.34 0.29 81 E E E 98.91 4.99 18.34 24.49 135.90 -2.27 -149.91 150.11 22.51 76.17 1.32 17.95 3.98 1.09 0.51 0.66 0.00 75.27 0.55 82 E C E 110.48 9.10 13.71 23.98 119.43 -138.47 -98.59 135.11 51.29 45.68 3.02 42.42 5.61 2.33 0.91 1.67 0.00 46.34 0.72 83 A C C 46.71 11.04 11.03 22.78 117.45 -142.62 -96.03 141.63 70.22 26.40 3.38 53.28 11.25 4.19 0.82 2.30 0.00 27.23 0.95 84 V C C 95.38 4.58 11.84 18.23 118.20 -145.85 -106.17 130.69 65.69 31.45 2.87 52.61 8.76 3.13 0.79 1.87 0.00 31.45 1.38 85 I C C 111.33 5.01 10.08 17.01 113.95 -142.68 -95.75 124.58 69.39 29.61 1.00 66.40 1.23 1.09 0.39 0.44 0.00 28.27 2.18 86 I C C 98.09 6.99 11.17 19.66 112.07 -161.64 -94.85 119.32 99.53 0.47 0.00 99.58 0.05 0.01 0.00 0.00 0.00 0.35 0.01