# 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 93.66 9.34 9.52 19.72 115.55 -147.37 -87.53 140.03 99.90 0.08 0.01 99.84 0.08 0.02 0.01 0.00 0.00 0.03 0.02 1 K C C 130.58 2.83 10.27 14.66 113.77 -122.35 -82.15 135.29 95.74 2.17 2.09 94.78 0.68 1.04 0.82 0.57 0.00 0.66 1.45 2 K C T 160.05 1.99 9.36 12.98 102.76 -115.72 -65.00 -10.66 75.37 1.74 22.89 9.92 10.70 53.13 1.89 22.44 0.01 0.93 0.99 3 D C T 124.62 1.11 11.01 12.52 96.15 38.21 -71.31 2.06 77.38 0.86 21.76 6.92 10.86 57.47 1.49 22.32 0.00 0.50 0.44 4 I C T 92.43 5.60 9.63 16.85 101.60 88.83 -89.96 -11.37 68.06 5.66 26.29 21.09 21.89 26.23 2.48 22.78 0.04 2.59 2.91 5 H C S 91.62 8.08 9.40 19.03 117.98 79.46 -103.89 128.18 94.25 5.13 0.63 44.90 48.28 1.66 0.19 0.41 0.00 2.46 2.10 6 P C C 69.37 6.27 12.16 20.23 114.81 -109.73 -69.03 152.10 96.94 2.41 0.64 69.16 16.59 11.00 0.08 0.78 0.00 2.00 0.40 7 K C C 144.22 2.80 15.16 19.15 111.66 -106.19 -79.09 134.72 80.63 18.39 0.98 57.09 14.21 8.39 0.11 1.22 0.00 17.70 1.27 8 Y E E 96.68 13.29 9.28 22.34 127.12 -160.00 -119.96 149.38 38.66 61.23 0.11 34.80 3.13 0.23 0.02 0.09 0.00 60.18 1.54 9 E E E 103.94 4.50 16.36 22.14 124.04 -156.34 -116.47 143.40 11.74 88.22 0.04 10.14 1.10 0.10 0.01 0.02 0.00 88.32 0.31 10 E E E 122.18 5.70 14.77 22.32 114.55 -115.65 -79.91 133.92 6.91 93.08 0.01 6.48 0.28 0.02 0.00 0.01 0.00 93.14 0.07 11 I E E 37.70 13.29 11.98 26.54 131.48 -176.05 -132.52 151.93 4.05 95.94 0.00 3.70 0.15 0.01 0.00 0.00 0.00 96.11 0.04 12 T E E 72.22 5.67 18.65 25.44 118.71 -133.47 -105.65 132.65 0.79 99.20 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.26 0.01 13 A E E 16.52 17.01 12.70 30.31 129.23 -175.25 -129.03 147.62 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 14 S E E 56.86 5.10 19.12 25.12 117.18 -141.63 -105.47 127.34 1.43 98.57 0.00 1.26 0.05 0.00 0.00 0.00 0.00 98.58 0.10 15 C C C 21.92 16.14 9.74 25.88 123.85 -152.04 -90.90 167.34 59.58 40.33 0.10 57.45 1.40 0.19 0.02 0.07 0.00 39.45 1.42 16 S C T 84.45 3.16 14.38 18.68 91.77 -100.67 -64.61 -22.15 98.75 0.55 0.70 0.50 7.18 91.17 0.02 0.68 0.00 0.37 0.08 17 C C T 80.32 3.89 12.86 18.12 93.03 56.78 -87.98 -0.34 99.25 0.19 0.56 0.33 7.60 91.38 0.01 0.53 0.00 0.11 0.04 18 G C S 52.48 2.19 14.51 17.21 97.56 -101.47 88.03 5.27 98.47 1.16 0.37 16.12 81.34 1.25 0.04 0.26 0.00 0.66 0.33 19 N C C 68.30 6.71 11.58 20.45 118.16 136.33 -77.92 144.89 95.25 4.70 0.04 93.60 1.84 0.17 0.01 0.03 0.00 3.96 0.39 20 V E E 87.01 6.98 13.54 22.60 122.89 -156.50 -120.16 135.30 1.76 98.23 0.00 1.67 0.07 0.00 0.00 0.00 0.00 98.09 0.17 21 M E E 60.41 11.65 13.32 26.33 126.22 -173.21 -125.83 140.44 0.18 99.82 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.83 0.00 22 K E E 120.30 5.34 17.44 24.33 117.73 -146.88 -102.79 130.45 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 23 I E E 43.70 14.84 12.29 27.75 128.00 -176.05 -127.48 146.46 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 24 R E E 137.25 4.27 18.98 24.45 120.13 -150.48 -110.46 134.53 3.07 96.93 0.01 2.68 0.14 0.01 0.00 0.00 0.00 97.11 0.05 25 S E E 26.28 15.85 10.41 26.09 126.33 -165.45 -122.33 152.64 22.21 77.73 0.06 21.01 0.88 0.10 0.02 0.04 0.00 77.03 0.93 26 T C S 87.29 4.40 15.66 21.21 96.38 -140.57 -82.73 -14.27 88.61 10.93 0.46 18.52 60.33 9.21 0.05 0.42 0.00 10.83 0.63 27 V C S 85.68 5.28 12.71 19.36 112.04 58.65 -89.33 101.96 91.95 7.37 0.68 8.59 66.23 17.64 0.07 0.60 0.00 5.72 1.16 28 G C S 57.12 2.34 13.95 17.23 100.19 -111.72 82.21 4.75 96.72 2.71 0.57 39.77 46.84 10.15 0.05 0.74 0.00 1.90 0.55 29 H C C 120.39 3.19 13.64 18.32 125.67 95.79 -114.54 151.29 95.78 3.88 0.34 56.63 36.50 2.89 0.04 0.40 0.00 2.81 0.72 30 D C C 105.81 4.03 13.40 19.38 112.83 -108.58 -79.04 130.81 86.42 13.29 0.28 77.63 6.52 1.44 0.03 0.35 0.00 13.23 0.80 31 L E E 54.99 13.61 10.24 24.38 121.34 -167.12 -114.04 133.07 35.74 64.20 0.07 34.36 1.33 0.12 0.01 0.05 0.00 62.02 2.10 32 N E E 115.42 2.50 18.47 21.51 114.58 -147.82 -98.79 122.15 11.00 88.93 0.08 10.11 0.49 0.06 0.05 0.03 0.00 82.48 6.78 33 L E E 48.59 16.28 9.58 25.37 121.18 -168.68 -114.22 135.80 37.38 62.46 0.16 35.68 1.43 0.18 0.06 0.10 0.00 60.99 1.57 34 D C S 104.18 2.67 18.38 20.95 101.92 -147.20 -87.93 9.81 78.46 21.39 0.15 34.97 42.25 1.42 0.02 0.15 0.00 20.35 0.84 35 V C C 63.41 9.22 13.47 23.93 126.57 38.93 -121.26 141.48 74.68 24.90 0.42 50.06 24.87 0.93 0.17 0.31 0.00 13.51 10.13 36 C C C 40.86 8.92 14.29 24.95 122.79 -161.16 -106.11 154.18 94.48 5.25 0.26 93.40 1.58 0.22 0.08 0.14 0.00 2.65 1.94 37 S C T 66.02 7.20 13.58 22.26 91.41 -115.06 -62.66 -27.09 65.96 0.45 33.59 2.17 5.11 55.73 1.43 35.11 0.00 0.25 0.20 38 K C T 147.23 2.08 16.49 19.00 91.53 62.81 -71.85 -20.89 69.90 0.17 29.93 0.61 2.93 65.71 1.07 29.52 0.00 0.09 0.07 39 C C T 55.02 8.47 12.90 22.90 99.70 43.15 -101.22 -4.74 68.71 0.61 30.68 2.75 6.74 56.74 1.50 31.65 0.00 0.32 0.31 40 H C C 51.94 11.36 9.87 22.61 115.85 102.01 -84.57 134.94 97.75 1.30 0.95 66.06 30.61 0.54 0.69 0.23 0.00 0.25 1.63 41 P H T 83.44 4.20 13.82 19.62 92.83 -136.65 -61.85 -28.78 44.52 0.15 55.33 1.59 2.70 39.07 21.20 35.21 0.02 0.07 0.14 42 F H T 128.26 4.08 12.88 18.11 92.88 59.19 -71.63 -21.55 43.55 0.23 56.22 1.40 2.71 37.98 23.29 34.21 0.05 0.12 0.23 43 F H G 103.41 7.07 10.37 18.81 98.02 50.88 -86.92 -13.38 39.46 1.65 58.89 6.03 6.63 24.85 24.13 36.19 0.32 0.85 1.00 44 T C T 83.08 3.59 11.18 16.13 100.39 54.99 -91.68 -6.05 59.14 4.06 36.80 17.42 15.49 27.59 23.77 10.99 0.36 1.76 2.63 45 G C T 55.66 2.57 10.83 14.86 99.64 -113.60 77.60 4.27 88.30 1.96 9.74 28.74 26.42 33.90 3.87 5.12 0.01 0.94 1.00 46 K C C 152.27 1.47 11.14 13.36 108.00 99.70 -95.55 60.75 87.57 4.09 8.34 46.29 24.78 16.65 3.20 5.17 0.00 2.30 1.61 47 Q C C 120.05 4.36 9.02 15.36 112.33 82.01 -92.78 124.77 83.30 9.19 7.51 63.54 13.15 6.42 3.41 4.22 0.00 6.91 2.35 48 R C C 159.51 3.19 10.02 15.14 117.30 -164.35 -104.67 134.47 78.04 14.70 7.26 63.90 9.89 3.82 4.34 3.21 0.00 11.49 3.35 49 D C C 108.13 2.92 10.58 15.20 113.00 -134.02 -89.50 123.30 72.29 19.23 8.48 58.78 8.88 3.91 5.76 3.27 0.01 14.65 4.74 50 V C C 93.98 5.87 9.52 16.86 109.39 -163.35 -95.94 100.79 72.22 14.97 12.81 53.41 11.77 6.40 9.11 4.31 0.02 11.48 3.50 51 A C C 74.19 4.27 10.37 16.23 106.33 69.34 -85.63 73.62 80.26 7.43 12.31 57.49 13.37 8.87 8.60 4.15 0.01 5.56 1.95 52 T C C 97.29 3.07 10.80 15.33 106.73 94.83 -95.50 24.22 78.28 4.04 17.68 38.65 22.59 17.28 13.49 4.22 0.03 2.30 1.42 53 G C S 46.78 3.86 11.84 16.85 105.90 51.94 11.20 -2.81 74.66 1.46 23.88 20.97 31.07 22.48 20.45 3.60 0.04 0.60 0.79 54 G C H 39.46 3.53 13.27 17.93 110.75 31.15 49.17 -133.08 55.40 1.29 43.30 19.57 23.82 12.65 40.12 2.66 0.06 0.45 0.67 55 R H H 139.00 4.08 13.68 18.72 94.37 -21.76 -66.67 -35.67 11.52 0.46 88.02 5.29 2.79 4.67 84.93 1.89 0.04 0.24 0.15 56 V H H 67.58 6.14 12.35 20.01 92.88 52.25 -65.50 -40.43 5.18 0.34 94.48 2.23 0.94 2.49 92.41 1.59 0.04 0.23 0.07 57 D H H 78.37 2.45 14.58 17.49 92.28 51.07 -64.96 -40.28 3.72 0.29 95.99 1.73 0.58 1.77 93.93 1.69 0.02 0.24 0.04 58 R H H 126.01 2.13 14.57 16.86 92.32 50.76 -65.47 -40.46 4.24 0.30 95.45 1.60 0.63 2.33 93.32 1.80 0.02 0.25 0.05 59 F H H 86.84 4.92 11.99 18.66 92.50 50.15 -65.80 -40.25 4.71 0.27 95.02 1.71 0.64 2.61 92.93 1.81 0.02 0.22 0.05 60 N H H 85.18 3.45 12.05 16.94 92.48 52.24 -64.99 -38.70 4.88 0.15 94.96 1.73 0.57 2.67 92.34 2.52 0.01 0.12 0.03 61 K H H 143.75 1.13 12.51 13.37 92.70 52.39 -66.73 -36.43 8.89 0.10 91.01 1.53 0.79 6.28 86.61 4.67 0.02 0.07 0.03 62 R H H 155.76 1.88 10.98 13.70 93.73 51.79 -70.35 -33.20 14.89 0.13 84.99 2.19 1.32 10.80 82.38 3.16 0.03 0.06 0.06 63 F H H 130.51 3.84 8.49 13.91 99.24 47.45 -89.63 -6.11 37.82 0.64 61.54 16.52 2.19 19.23 59.41 1.94 0.01 0.21 0.48 64 N C C 115.40 2.76 11.73 15.92 103.74 87.31 -75.37 56.81 99.90 0.04 0.05 99.52 0.15 0.26 0.03 0.00 0.00 0.02 0.01