# 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 A C C 37.39 11.80 21.23 32.94 117.69 -155.71 -93.90 134.67 99.80 0.20 0.00 99.80 0.05 0.01 0.00 0.00 0.00 0.13 0.00 1 V E E 18.37 21.26 15.09 35.85 123.05 -151.58 -112.62 136.59 24.51 75.47 0.02 24.76 0.27 0.03 0.01 0.01 0.00 74.40 0.52 2 K E E 84.72 8.43 24.10 32.82 120.49 -159.32 -112.29 133.04 7.04 92.95 0.01 6.27 0.48 0.03 0.00 0.01 0.00 93.09 0.12 3 I E E 12.36 23.89 16.28 40.20 120.23 -160.49 -110.18 130.93 1.92 98.08 0.00 1.79 0.06 0.00 0.00 0.00 0.00 98.11 0.03 4 R E E 76.68 9.46 25.59 35.38 125.97 -173.05 -122.31 139.19 0.81 99.19 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.01 5 L E E 19.08 23.09 16.20 38.83 122.65 -158.18 -111.35 135.35 0.89 99.11 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.16 0.01 6 K E E 84.71 7.92 23.48 31.91 130.68 -174.56 -130.55 147.06 0.58 99.41 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 7 R E E 108.37 13.14 15.98 29.00 114.74 -116.24 -79.61 133.17 1.92 98.07 0.01 1.81 0.06 0.00 0.00 0.00 0.00 98.04 0.08 8 M E E 71.34 9.91 15.71 26.65 126.95 -176.49 -125.56 153.33 25.00 74.94 0.06 21.88 2.13 0.21 0.01 0.04 0.00 75.32 0.42 9 G C C 38.47 4.21 14.97 20.64 128.46 26.36 115.87 -172.14 61.19 38.63 0.17 39.62 19.84 1.81 0.02 0.19 0.00 37.65 0.87 10 A C C 68.76 4.13 12.61 18.25 121.40 -62.94 -103.25 152.46 73.07 25.97 0.97 45.73 23.81 4.58 0.19 0.97 0.00 20.40 4.32 11 K C T 157.29 2.28 11.46 15.14 103.45 -79.01 -65.80 86.83 97.73 0.76 1.51 3.24 41.91 52.66 0.06 1.47 0.00 0.45 0.20 12 K C T 173.11 0.94 13.93 14.26 96.41 12.08 -61.15 -0.54 97.90 0.64 1.46 4.05 40.95 52.82 0.05 1.56 0.00 0.41 0.16 13 S C S 49.14 7.31 13.02 21.94 115.35 52.30 -122.28 107.68 77.09 22.61 0.31 22.04 53.20 2.30 0.03 0.32 0.00 20.23 1.88 14 P C C 40.75 11.97 14.81 28.18 114.69 -143.79 -70.16 143.63 71.41 28.53 0.06 64.78 3.43 0.37 0.01 0.06 0.00 30.98 0.38 15 F E E 41.39 13.50 19.20 33.75 129.99 -172.46 -128.11 149.26 4.77 95.23 0.00 4.15 0.33 0.02 0.00 0.00 0.00 95.33 0.17 16 Y E E 31.49 18.67 19.60 38.07 126.46 -155.93 -119.21 142.51 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 17 R E E 48.65 15.61 24.56 39.73 129.98 -169.52 -128.94 144.85 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 18 I E E 8.29 23.20 21.77 45.14 118.03 -143.18 -106.46 128.51 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 19 V E E 11.47 18.89 25.55 44.22 123.87 -167.95 -117.53 135.48 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 20 V E E 10.84 20.96 24.16 44.78 119.77 -155.38 -110.71 129.71 0.51 99.49 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 21 A E E 9.69 17.44 20.34 38.31 133.44 174.00 -131.65 153.89 4.99 95.01 0.00 4.68 0.14 0.00 0.00 0.00 0.00 94.96 0.23 22 D E E 37.62 10.63 19.40 31.12 115.38 -103.55 -72.31 150.80 28.88 71.05 0.07 26.63 1.76 0.17 0.02 0.05 0.00 69.94 1.42 23 S C T 65.39 9.54 15.32 25.85 91.45 -114.67 -64.10 -22.01 98.92 0.65 0.43 0.67 11.72 86.66 0.02 0.37 0.00 0.44 0.11 24 R C T 176.84 1.30 17.68 17.97 94.56 60.18 -85.90 -8.62 98.99 0.58 0.44 0.91 12.27 85.90 0.02 0.40 0.00 0.40 0.11 25 S C S 30.66 12.49 9.53 22.84 117.19 85.85 -95.23 129.67 96.40 3.40 0.20 25.45 70.86 0.50 0.06 0.11 0.00 1.18 1.84 26 P C C 68.87 5.13 14.47 20.99 110.40 -125.04 -65.88 156.31 95.42 2.18 2.40 85.77 4.09 5.08 0.41 2.32 0.00 1.20 1.13 27 R C T 146.99 7.71 11.74 20.73 93.67 -104.12 -62.59 -25.26 91.63 0.73 7.64 4.25 12.34 73.17 0.39 9.04 0.00 0.42 0.40 28 D C T 113.45 1.84 16.26 17.97 95.99 53.49 -84.91 3.66 90.21 0.48 9.31 2.88 11.05 74.43 0.43 10.66 0.00 0.27 0.27 29 G C C 30.70 12.21 12.70 24.98 100.27 -103.03 82.58 5.51 92.32 1.96 5.72 43.59 38.39 9.28 0.44 6.37 0.00 1.03 0.90 30 R C C 122.56 5.44 18.54 24.99 113.83 129.52 -84.23 134.41 93.94 5.56 0.50 81.47 10.76 1.66 0.10 0.50 0.00 4.09 1.43 31 F E E 76.88 15.27 13.72 28.65 113.36 -123.95 -83.08 129.46 44.18 55.67 0.15 42.17 1.74 0.19 0.05 0.11 0.00 50.44 5.30 32 I E E 68.74 11.40 17.89 29.78 101.03 -170.95 -93.12 -33.96 39.55 60.39 0.07 20.12 19.15 0.43 0.00 0.07 0.00 60.01 0.23 33 E E E 73.44 9.01 21.11 30.72 136.13 -2.89 -145.67 147.87 4.29 95.65 0.07 3.51 0.74 0.09 0.01 0.06 0.00 95.50 0.10 34 T E E 68.56 12.42 19.31 31.56 111.68 -125.77 -85.12 122.76 1.41 98.58 0.01 1.54 0.04 0.00 0.00 0.01 0.00 98.34 0.07 35 V E E 19.64 19.05 17.86 37.11 101.23 176.09 -99.79 -22.24 3.79 96.19 0.02 2.90 0.75 0.11 0.00 0.02 0.00 96.17 0.05 36 G E E 8.93 12.16 22.09 35.56 144.44 -44.92 162.79 177.94 3.16 96.82 0.02 2.19 0.75 0.12 0.00 0.02 0.00 96.88 0.04 37 T E E 44.83 13.16 21.44 34.95 133.39 -99.03 -135.93 151.20 3.03 96.95 0.02 2.72 0.27 0.03 0.01 0.01 0.00 96.79 0.18 38 Y E E 45.01 17.02 17.01 34.33 124.33 -150.72 -120.04 136.44 8.70 91.27 0.03 7.68 0.84 0.06 0.02 0.02 0.00 89.02 2.35 39 N C C 49.73 8.35 18.52 28.65 110.27 -156.30 -110.52 105.79 75.70 24.26 0.04 72.27 2.27 0.14 0.01 0.03 0.00 24.70 0.57 40 P C T 49.40 13.15 12.46 26.83 94.11 -169.40 -68.04 -19.73 92.10 5.58 2.32 23.29 30.69 38.12 0.23 2.18 0.00 4.80 0.69 41 V C S 106.83 2.81 14.30 17.94 98.09 57.26 -83.11 -23.14 94.75 2.59 2.66 11.21 42.70 41.12 0.31 2.25 0.00 1.66 0.75 42 A C S 68.62 3.54 12.00 16.77 109.78 47.01 -95.50 8.55 94.04 2.48 3.48 23.30 46.69 24.09 0.44 3.18 0.00 1.44 0.86 43 K C S 149.36 2.39 13.16 16.67 113.64 -43.48 -106.89 111.78 95.22 3.52 1.26 37.01 48.45 9.88 0.23 1.15 0.00 2.28 0.99 44 P C C 82.15 5.72 12.47 19.68 110.12 28.94 -72.12 145.72 93.20 4.10 2.71 34.78 34.07 24.45 0.35 2.66 0.00 3.13 0.57 45 A C C 50.72 10.09 12.08 23.15 112.15 -129.71 -81.33 131.61 81.10 16.10 2.80 57.26 12.18 10.41 0.36 2.83 0.00 16.16 0.79 46 E E E 107.14 6.38 17.56 25.07 117.78 -149.10 -104.02 129.24 42.99 55.42 1.59 37.58 3.94 1.23 0.44 1.15 0.00 53.97 1.69 47 V E E 32.47 19.36 12.46 31.07 124.62 -166.53 -121.50 137.16 17.87 81.74 0.39 16.20 1.24 0.27 0.21 0.21 0.00 80.29 1.58 48 K E E 121.97 4.59 23.33 28.96 121.60 -158.26 -115.36 134.87 13.51 86.29 0.20 11.79 1.47 0.24 0.11 0.11 0.00 84.93 1.34 49 I E E 21.15 23.10 11.65 34.22 119.81 -154.80 -106.41 133.02 32.04 67.84 0.11 30.76 1.21 0.08 0.09 0.05 0.00 64.03 3.79 50 D C C 69.58 5.95 20.91 27.56 106.18 -131.49 -85.26 107.65 90.05 9.78 0.16 90.29 0.60 0.06 0.11 0.03 0.00 8.50 0.41 51 E H H 85.48 14.21 14.17 28.34 93.43 -168.23 -63.31 -36.25 1.65 0.00 98.34 0.38 0.16 0.83 98.26 0.36 0.00 0.00 0.00 52 E H H 132.62 1.49 21.57 21.65 91.54 54.08 -63.24 -40.88 0.47 0.00 99.53 0.04 0.02 0.33 99.25 0.35 0.00 0.00 0.00 53 L H H 48.93 9.28 19.20 29.69 91.94 48.79 -65.55 -40.83 0.13 0.00 99.87 0.01 0.01 0.08 99.64 0.25 0.00 0.00 0.00 54 A H H 2.35 24.66 14.11 39.28 91.08 51.05 -63.18 -43.38 0.09 0.00 99.91 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 55 L H H 50.11 10.68 20.67 32.09 91.50 50.52 -63.43 -41.67 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 56 K H H 113.53 2.26 24.22 25.01 91.53 50.88 -63.70 -42.03 0.15 0.00 99.85 0.01 0.00 0.11 99.80 0.07 0.00 0.00 0.00 57 W H H 30.27 16.26 17.83 34.62 91.82 50.00 -64.30 -42.60 0.35 0.00 99.65 0.02 0.01 0.28 99.39 0.30 0.00 0.00 0.00 58 L H H 24.95 20.20 15.11 34.68 91.73 50.88 -64.56 -38.84 1.15 0.00 98.84 0.06 0.04 1.04 98.07 0.78 0.00 0.00 0.00 59 Q H H 127.25 3.26 18.98 23.24 90.65 55.62 -66.94 -25.44 11.10 0.01 88.89 0.22 0.31 11.06 87.55 0.84 0.01 0.00 0.01 60 T C T 85.68 3.86 17.53 22.04 94.30 53.15 -89.50 -0.97 80.46 0.04 19.51 0.51 2.10 76.35 20.21 0.78 0.00 0.01 0.04 61 G C T 42.19 5.69 19.08 25.55 100.85 -97.55 92.62 7.46 99.50 0.04 0.46 5.49 3.16 90.93 0.30 0.09 0.00 0.02 0.01 62 A C C 16.41 20.32 11.59 31.51 116.80 160.42 -71.08 143.91 98.01 1.93 0.05 96.93 1.23 0.12 0.02 0.02 0.00 1.34 0.34 63 K C C 135.77 3.20 24.37 28.15 116.34 -138.00 -101.81 128.52 84.22 15.76 0.02 84.17 1.31 0.04 0.01 0.01 0.00 13.08 1.39 64 P C C 30.84 21.79 12.54 33.33 117.26 -116.52 -69.37 149.00 77.39 22.57 0.04 79.47 0.59 0.03 0.02 0.01 0.00 14.76 5.11 65 S C C 31.72 10.25 16.67 28.27 121.24 -115.29 -75.29 163.62 98.12 1.79 0.08 98.17 0.44 0.03 0.04 0.01 0.00 0.76 0.54 66 D H H 115.44 1.84 18.30 20.28 90.76 -102.25 -60.31 -34.83 1.22 0.00 98.78 0.13 0.18 0.73 98.81 0.15 0.00 0.00 0.00 67 T H H 63.66 6.12 19.21 26.13 91.71 53.08 -64.66 -41.40 0.53 0.00 99.47 0.04 0.03 0.37 99.42 0.13 0.00 0.00 0.00 68 V H H 6.16 23.37 14.49 37.92 91.66 48.14 -64.85 -42.68 0.13 0.00 99.87 0.01 0.01 0.08 99.81 0.09 0.00 0.00 0.00 69 R H H 89.00 13.14 18.54 31.42 91.03 51.59 -61.75 -42.33 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 70 N H H 93.94 1.84 23.38 23.24 91.65 49.64 -64.29 -41.58 0.26 0.00 99.74 0.01 0.00 0.22 99.73 0.04 0.00 0.00 0.00 71 L H H 33.13 11.43 19.24 31.92 91.69 49.16 -64.40 -42.99 0.51 0.00 99.49 0.02 0.02 0.42 99.46 0.09 0.00 0.00 0.00 72 F H H 11.06 21.20 14.41 35.79 92.01 47.72 -64.94 -42.00 1.40 0.01 98.60 0.17 0.13 0.98 98.45 0.27 0.00 0.00 0.00 73 S H H 53.84 7.40 16.72 25.19 91.97 51.59 -64.13 -40.48 3.57 0.01 96.42 0.42 0.21 2.69 95.71 0.97 0.00 0.00 0.00 74 S H H 86.51 1.48 17.88 18.86 91.56 52.62 -66.90 -29.31 10.57 0.01 89.41 0.30 0.42 10.05 88.23 0.98 0.01 0.00 0.00 75 Q C T 86.46 8.21 14.15 23.53 93.62 51.33 -87.46 -2.26 79.56 0.02 20.42 0.36 2.30 76.54 19.76 1.00 0.00 0.00 0.03 76 G C T 40.73 4.34 18.41 23.62 96.01 -111.85 80.64 12.45 98.33 0.02 1.65 1.69 3.45 93.26 1.43 0.15 0.00 0.01 0.01 77 I H H 29.14 13.66 15.50 30.58 95.37 122.07 -73.25 -33.39 12.24 0.05 87.72 7.49 1.64 3.21 86.78 0.83 0.00 0.01 0.02 78 M H H 33.90 17.25 14.89 31.91 92.75 57.14 -63.67 -42.32 2.06 0.01 97.94 0.44 0.26 1.25 97.25 0.79 0.00 0.00 0.00 79 E H H 108.24 3.51 20.14 23.80 91.79 51.54 -63.59 -41.09 0.49 0.00 99.51 0.12 0.04 0.27 99.00 0.57 0.00 0.00 0.00 80 K H H 113.76 2.83 20.22 22.75 92.06 49.14 -65.38 -41.46 0.38 0.00 99.62 0.07 0.03 0.22 99.24 0.44 0.00 0.00 0.00 81 F H H 44.94 12.21 15.56 28.87 92.52 48.24 -65.94 -41.82 0.67 0.00 99.33 0.11 0.05 0.41 99.03 0.39 0.00 0.00 0.00 82 H H H 63.99 9.47 15.01 25.85 92.31 49.82 -64.51 -41.04 1.73 0.01 98.26 0.29 0.15 1.12 98.03 0.40 0.00 0.00 0.00 83 N H H 92.72 2.15 16.69 18.59 92.47 50.24 -65.70 -38.67 4.97 0.02 95.01 0.84 0.46 3.34 94.65 0.69 0.00 0.01 0.01 84 A H H 58.41 3.72 13.65 18.63 92.83 52.40 -66.94 -37.50 10.57 0.05 89.38 1.95 1.24 7.06 88.37 1.31 0.01 0.02 0.03 85 K H H 115.46 5.51 12.18 19.00 94.15 50.87 -72.28 -30.72 22.46 0.16 77.38 4.12 2.99 15.22 75.83 1.66 0.03 0.06 0.09 86 Q H H 117.59 3.49 10.64 15.59 99.12 50.03 -84.05 -9.92 47.07 0.43 52.50 10.24 8.42 28.46 50.64 1.79 0.04 0.14 0.27 87 G C C 55.89 2.14 10.67 14.13 104.84 -108.39 45.49 11.98 85.30 0.27 14.43 52.28 2.30 29.53 14.44 1.15 0.00 0.11 0.19 88 K C C 151.16 2.44 10.95 14.93 108.17 55.55 -83.97 101.72 99.96 0.02 0.02 99.84 0.07 0.06 0.01 0.00 0.00 0.01 0.00