# 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 79.41 12.19 10.28 22.69 116.27 -130.24 -83.32 143.34 99.89 0.10 0.01 99.81 0.11 0.01 0.00 0.00 0.00 0.03 0.03 1 K C C 130.56 3.06 12.14 16.63 115.85 -115.96 -77.27 141.05 99.06 0.69 0.25 98.36 0.53 0.25 0.10 0.05 0.00 0.17 0.54 2 P C T 112.78 2.13 10.55 14.52 109.78 -98.98 -61.78 138.86 93.60 0.80 5.60 5.89 6.71 80.71 0.76 4.97 0.00 0.42 0.53 3 G C T 62.01 1.19 12.66 14.00 96.15 18.62 82.61 -1.91 95.10 0.42 4.48 4.96 7.62 82.10 0.42 4.45 0.00 0.26 0.20 4 I C C 80.20 7.76 10.73 19.94 101.63 85.91 -87.50 -24.68 85.96 6.81 7.23 34.01 30.50 20.64 1.28 6.13 0.01 2.56 4.87 5 H C C 72.48 11.01 10.14 22.03 118.30 38.59 -114.68 126.13 91.17 6.00 2.83 54.16 31.50 5.08 0.57 2.62 0.00 2.92 3.15 6 P C T 75.64 5.97 13.85 21.27 105.43 -116.59 -68.99 146.75 92.60 2.26 5.14 29.90 12.03 49.55 0.33 6.11 0.00 1.54 0.55 7 D C T 104.36 3.52 16.24 20.67 103.67 -74.55 -85.87 59.91 90.17 4.77 5.06 29.75 12.66 46.74 0.29 6.17 0.00 3.73 0.68 8 Y C C 75.11 15.10 10.72 25.59 121.06 101.88 -102.22 139.88 72.99 25.99 1.01 62.12 8.64 1.41 0.27 0.92 0.00 17.58 9.06 9 H C C 90.05 7.13 17.98 26.20 122.21 -155.28 -116.46 135.56 68.90 31.05 0.06 60.38 7.57 0.29 0.01 0.06 0.00 30.14 1.54 10 P C E 65.01 9.50 17.83 27.95 114.90 -107.15 -67.71 145.33 53.04 46.95 0.01 47.78 3.86 0.09 0.00 0.01 0.00 47.83 0.42 11 V E E 26.67 16.16 14.83 31.79 125.04 -160.43 -122.28 138.81 5.12 94.88 0.00 4.83 0.16 0.00 0.00 0.00 0.00 94.90 0.11 12 V E E 53.24 8.96 20.25 30.56 116.40 -144.89 -103.80 126.43 0.96 99.04 0.00 0.94 0.01 0.00 0.00 0.00 0.00 99.04 0.01 13 F E E 39.59 15.77 16.40 32.79 123.28 -170.75 -117.16 137.61 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 14 Q E E 77.40 7.64 18.84 27.77 120.24 -153.58 -113.85 129.51 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.40 0.05 15 D E E 27.97 12.29 11.85 26.16 108.76 -136.71 -87.16 116.34 28.05 71.93 0.02 27.08 0.57 0.04 0.00 0.01 0.00 71.77 0.52 16 A C T 69.47 5.10 13.73 20.78 92.79 -157.13 -68.28 -25.92 99.48 0.08 0.45 0.19 2.97 96.42 0.01 0.34 0.00 0.04 0.02 17 A C T 86.46 1.61 14.12 15.75 97.18 50.35 -77.10 -38.29 99.50 0.03 0.47 0.08 2.11 97.44 0.01 0.35 0.00 0.01 0.01 18 T C T 80.59 3.15 12.81 16.92 101.18 20.42 -104.93 -15.48 99.59 0.06 0.35 0.38 2.97 96.28 0.01 0.32 0.00 0.03 0.01 19 G C C 46.44 3.94 12.68 18.43 95.34 -121.99 79.28 7.06 98.91 0.95 0.14 85.00 5.38 8.53 0.03 0.12 0.00 0.71 0.24 20 A C C 48.34 6.08 13.21 21.49 117.64 148.51 -73.70 143.72 91.31 8.67 0.02 90.79 0.94 0.07 0.00 0.01 0.00 7.90 0.28 21 Q E E 101.42 8.63 14.74 25.12 125.02 -158.24 -122.30 140.76 1.06 98.93 0.00 1.04 0.05 0.00 0.00 0.00 0.00 98.80 0.10 22 F E E 60.96 12.79 15.26 29.16 130.50 -173.53 -132.60 146.62 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 L E E 85.04 7.94 19.15 27.99 116.86 -132.91 -96.03 131.65 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 24 T E E 29.21 17.25 14.09 31.39 128.22 -174.61 -120.92 150.40 5.65 94.34 0.01 5.28 0.18 0.02 0.00 0.01 0.00 94.37 0.14 25 R E E 124.28 6.62 20.46 28.02 121.06 -137.19 -107.19 139.88 20.65 79.27 0.08 18.68 1.30 0.15 0.02 0.06 0.00 78.95 0.85 26 S C C 30.80 17.29 13.00 29.69 117.17 -125.08 -82.48 151.27 60.52 38.85 0.63 51.85 6.36 1.32 0.13 0.55 0.00 38.09 1.69 27 T C C 77.89 6.30 18.59 25.70 99.42 -143.98 -91.99 -4.38 85.82 13.16 1.02 41.15 40.55 4.61 0.15 1.01 0.00 10.96 1.56 28 A C C 41.27 11.27 13.13 25.44 116.26 90.00 -88.61 134.87 82.57 15.97 1.46 45.92 32.79 4.25 0.32 1.38 0.00 11.31 4.03 29 T C C 94.48 4.53 15.08 21.50 113.56 -160.99 -108.10 119.26 85.97 13.52 0.52 69.63 13.39 2.50 0.12 0.50 0.00 10.73 3.12 30 S C C 39.69 9.80 10.86 22.07 129.64 163.81 -123.44 155.82 84.70 14.73 0.57 65.15 17.14 2.32 0.13 0.53 0.00 11.30 3.43 31 T C C 115.99 1.56 15.08 16.95 97.05 -132.17 -87.39 -2.90 87.55 12.16 0.29 47.64 37.36 2.72 0.04 0.30 0.00 11.12 0.83 32 R C C 126.98 4.45 13.49 19.70 121.55 94.48 -94.51 144.99 70.07 29.62 0.30 37.74 30.53 2.00 0.03 0.31 0.00 28.58 0.80 33 T E E 74.54 8.51 12.21 22.16 122.42 -139.46 -108.32 140.65 21.58 78.36 0.07 19.92 1.26 0.15 0.01 0.05 0.00 78.04 0.57 34 I E E 53.46 9.99 12.38 24.38 122.75 -160.08 -118.32 136.37 2.34 97.64 0.01 2.18 0.13 0.02 0.00 0.01 0.00 97.49 0.19 35 E E E 123.93 3.90 14.69 20.33 116.18 -143.43 -99.04 128.35 2.43 97.57 0.00 2.25 0.08 0.01 0.00 0.00 0.00 97.57 0.10 36 W E E 79.55 10.31 9.70 21.59 123.74 -171.97 -119.93 141.96 15.62 84.35 0.03 13.49 1.20 0.08 0.00 0.02 0.00 84.97 0.24 37 P E E 108.92 1.70 13.02 15.46 112.69 -122.58 -84.89 130.25 32.81 67.09 0.10 26.37 5.16 0.57 0.01 0.09 0.00 67.29 0.51 38 T C C 53.26 7.27 7.15 16.06 129.58 168.31 -125.47 162.90 59.00 40.75 0.25 49.28 7.62 1.47 0.05 0.24 0.00 39.13 2.21 39 P C T 132.95 0.35 9.61 8.98 91.34 -94.64 -61.85 -27.77 99.09 0.48 0.43 4.48 21.44 73.12 0.02 0.48 0.00 0.39 0.07 40 S C T 100.05 0.47 9.17 8.90 96.22 43.43 -94.79 1.06 98.99 0.59 0.43 3.54 21.51 73.94 0.02 0.46 0.00 0.45 0.08 41 G C E 35.59 1.97 12.74 15.53 134.31 -84.94 130.41 -175.46 53.06 46.73 0.21 25.24 28.35 2.18 0.03 0.23 0.00 41.95 2.01 42 P C E 92.68 4.43 9.69 16.12 117.85 -43.06 -76.59 144.83 50.85 49.09 0.06 45.97 2.39 0.25 0.01 0.05 0.00 50.90 0.43 43 K E E 103.01 5.88 12.33 20.31 126.69 -165.79 -127.91 145.88 12.69 87.28 0.04 10.91 1.27 0.14 0.00 0.03 0.00 87.17 0.47 44 T E E 81.94 6.29 13.64 21.86 119.99 -137.80 -106.13 134.27 3.95 96.04 0.01 3.59 0.29 0.04 0.00 0.01 0.00 95.58 0.49 45 Y E E 68.68 11.98 12.54 25.78 125.02 -173.08 -125.85 140.23 8.98 91.01 0.01 8.14 0.52 0.04 0.00 0.01 0.00 91.07 0.22 46 P E E 62.12 6.73 18.01 25.69 115.07 -105.90 -67.79 148.37 14.57 85.41 0.02 13.10 0.81 0.06 0.00 0.01 0.00 85.87 0.15 47 L E E 62.21 13.36 14.15 28.02 117.30 -128.70 -95.17 133.78 13.79 86.17 0.04 11.79 1.63 0.10 0.00 0.03 0.00 86.06 0.38 48 I E E 44.86 12.65 15.74 29.86 118.37 -157.14 -111.12 128.05 3.45 96.53 0.01 3.19 0.19 0.01 0.00 0.01 0.00 96.38 0.21 49 V E E 79.02 7.54 19.55 28.16 116.83 -150.37 -102.62 126.43 3.69 96.29 0.01 3.56 0.12 0.01 0.01 0.01 0.00 96.02 0.27 50 V E E 31.70 16.81 12.76 29.83 122.59 -171.24 -115.51 133.96 17.23 82.69 0.08 16.44 0.51 0.07 0.03 0.04 0.00 82.33 0.57 51 D E E 89.20 4.42 21.06 25.82 109.84 -135.02 -86.77 122.66 48.64 51.20 0.16 31.55 16.06 0.63 0.04 0.12 0.00 50.86 0.73 52 V C C 41.15 15.93 13.23 29.11 122.08 -144.53 -116.32 138.74 63.52 36.06 0.42 51.91 10.70 0.73 0.20 0.30 0.00 31.48 4.68 53 T C C 45.91 7.02 18.38 26.52 130.46 -160.30 -118.74 164.68 86.45 13.28 0.27 84.16 2.31 0.28 0.11 0.14 0.00 8.94 4.07 54 S C T 62.80 8.95 13.96 24.03 91.00 -104.68 -61.56 -29.05 61.65 0.51 37.85 2.61 6.19 50.75 1.81 38.12 0.00 0.29 0.23 55 D C T 109.72 2.23 17.82 20.31 92.02 63.11 -73.78 -17.12 64.62 0.20 35.18 1.03 4.03 58.42 1.47 34.87 0.00 0.12 0.08 56 S C G 37.43 11.30 13.17 25.51 99.00 50.47 -98.63 -4.89 58.91 1.98 39.11 9.39 12.03 36.57 2.58 37.26 0.01 0.90 1.26 57 H C C 52.14 12.24 11.57 24.93 114.37 101.53 -84.06 132.70 95.37 1.45 3.18 69.40 24.17 1.30 2.45 0.71 0.00 0.35 1.63 58 P H T 75.58 5.70 14.73 22.14 92.38 -129.03 -63.99 -29.05 45.31 0.23 54.46 2.43 3.38 37.65 24.79 31.39 0.03 0.11 0.23 59 F H T 116.79 5.56 13.69 20.43 93.57 58.05 -74.54 -23.83 42.47 0.35 57.18 1.84 3.19 35.43 27.02 31.89 0.11 0.19 0.34 60 W H G 123.82 7.47 11.40 20.10 98.10 51.36 -83.24 -16.41 39.75 2.07 58.17 6.22 7.14 24.43 25.94 33.40 0.49 1.10 1.28 61 T C T 77.92 4.36 11.61 17.34 101.48 50.26 -94.93 -5.90 58.65 5.34 36.01 14.74 16.36 28.29 22.34 11.86 0.66 2.45 3.30 62 G C T 53.39 3.04 11.23 15.77 99.91 -108.15 74.45 -2.90 82.66 1.93 15.41 18.62 24.52 40.40 5.53 8.81 0.02 0.95 1.15 63 S C T 91.37 1.20 12.32 13.47 99.10 79.46 -87.65 -9.98 82.61 2.06 15.33 26.06 27.34 29.98 4.67 9.81 0.02 1.09 1.03 64 A C C 65.70 5.36 9.42 16.61 113.64 78.59 -92.84 128.62 81.03 5.07 13.90 50.88 18.78 11.39 5.12 8.88 0.02 3.27 1.68 65 R C C 158.97 3.91 10.72 16.36 114.96 -162.51 -98.95 128.33 78.75 11.44 9.81 62.06 11.08 4.94 5.23 5.00 0.00 8.17 3.51 66 H C C 131.49 3.95 11.17 16.94 115.06 -155.99 -99.83 127.63 74.56 17.44 8.00 59.31 10.39 4.04 5.44 3.19 0.01 12.30 5.32 67 I C C 102.49 6.39 10.34 18.27 115.61 -159.99 -101.79 128.08 75.45 14.19 10.35 57.98 12.01 4.60 8.18 2.93 0.01 10.17 4.12 68 D C C 90.93 5.24 11.12 17.98 110.98 -156.53 -94.36 113.63 83.92 5.71 10.37 65.67 11.47 6.04 8.41 2.76 0.00 3.95 1.71 69 S C C 73.30 4.91 11.51 17.87 100.52 95.89 -86.96 -2.00 69.81 2.54 27.66 36.73 19.44 13.39 24.22 3.92 0.02 1.30 0.98 70 A C H 70.35 3.49 12.45 17.02 98.73 81.22 -74.85 -13.67 52.95 0.88 46.17 11.52 16.09 25.31 42.51 3.63 0.09 0.43 0.42 71 G H H 37.53 4.19 13.80 19.23 101.55 28.49 20.63 -37.87 47.99 1.09 50.92 17.37 13.28 18.01 47.25 3.07 0.05 0.50 0.47 72 Q H H 91.10 5.35 14.15 20.63 94.20 56.39 -68.06 -37.82 12.26 0.63 87.11 7.17 2.47 3.56 84.65 1.54 0.01 0.44 0.14 73 V H H 59.29 7.46 13.06 21.84 93.47 51.26 -66.11 -41.86 4.82 0.71 94.47 2.56 0.84 1.88 92.82 1.14 0.01 0.67 0.07 74 E H H 98.06 2.38 15.55 18.09 92.09 50.87 -64.63 -41.05 3.40 0.75 95.85 1.84 0.50 1.38 94.27 1.16 0.01 0.79 0.05 75 K H H 107.36 2.27 15.24 17.68 92.13 50.44 -64.66 -40.66 3.67 0.77 95.56 1.82 0.53 1.63 93.92 1.23 0.01 0.81 0.06 76 F H H 79.84 6.21 12.06 20.11 92.43 50.65 -65.00 -41.15 3.83 0.72 95.45 1.73 0.50 1.85 93.63 1.44 0.01 0.77 0.06 77 R H H 134.65 3.47 12.71 17.44 92.29 51.90 -64.66 -38.91 3.75 0.52 95.73 1.56 0.45 1.89 93.52 1.96 0.01 0.57 0.05 78 R H H 167.32 1.04 12.92 13.56 92.44 51.63 -66.49 -37.00 6.89 0.42 92.68 1.83 0.71 4.37 88.66 3.93 0.02 0.43 0.06 79 R H H 156.64 1.95 11.45 14.26 93.69 50.38 -70.30 -32.69 13.53 0.37 86.10 2.68 1.20 9.27 83.78 2.64 0.02 0.32 0.09 80 Y H H 139.83 4.42 9.47 15.30 99.09 45.45 -91.14 -6.75 32.38 0.59 67.04 12.10 1.71 17.89 66.14 1.55 0.01 0.23 0.36 81 G C C 47.73 3.64 12.87 17.83 107.85 -107.54 46.41 13.43 99.91 0.04 0.05 99.34 0.22 0.37 0.03 0.00 0.00 0.02 0.00