# 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 79.88 11.67 17.43 29.13 116.09 -165.15 -95.94 133.47 99.88 0.12 0.00 99.86 0.05 0.01 0.00 0.00 0.00 0.07 0.00 1 A C C 39.70 11.58 17.58 29.70 122.47 -158.29 -104.05 144.45 68.38 31.55 0.06 67.44 0.54 0.16 0.01 0.03 0.00 31.16 0.65 2 V E E 20.21 19.81 15.56 35.23 122.76 -152.45 -112.80 135.61 14.41 85.56 0.03 13.10 0.87 0.06 0.01 0.02 0.00 85.63 0.32 3 K E E 76.58 9.59 24.27 34.16 120.51 -157.61 -111.53 131.35 3.65 96.34 0.01 3.25 0.28 0.02 0.00 0.00 0.00 96.38 0.07 4 I E E 9.40 24.38 16.99 41.67 120.37 -161.81 -112.07 130.06 1.42 98.58 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.62 0.02 5 R E E 76.20 9.80 26.14 36.29 121.26 -167.33 -116.75 132.98 0.85 99.15 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.01 6 L E E 13.89 23.70 16.85 40.33 121.72 -160.85 -110.77 134.93 0.98 99.02 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.09 0.01 7 T E E 47.80 9.22 23.90 33.54 128.92 -174.44 -128.05 145.52 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 8 R E E 102.71 13.87 16.79 30.39 113.97 -116.65 -79.61 132.02 1.20 98.80 0.00 1.12 0.03 0.00 0.00 0.00 0.00 98.80 0.04 9 L E E 61.93 10.53 16.39 27.85 125.83 -177.79 -123.70 151.02 17.63 82.34 0.03 15.64 1.20 0.09 0.00 0.01 0.00 82.76 0.27 10 G E E 35.72 4.54 15.81 21.77 131.24 19.65 118.37 -171.95 47.65 52.26 0.09 30.35 16.84 1.13 0.01 0.10 0.00 50.83 0.75 11 S C C 62.21 4.45 13.73 19.55 126.47 -61.31 -117.49 161.56 69.61 30.10 0.29 56.66 11.89 1.22 0.07 0.28 0.00 26.06 3.81 12 K C S 155.54 2.86 11.20 15.75 96.84 -94.75 -64.26 -28.00 98.41 0.69 0.90 2.54 55.24 40.82 0.04 0.79 0.00 0.42 0.15 13 R C S 193.46 0.80 14.26 13.85 96.78 31.84 -78.73 -14.47 98.63 0.46 0.91 2.70 55.48 40.55 0.03 0.86 0.00 0.28 0.10 14 N C S 78.22 5.92 13.69 21.15 112.81 33.74 -128.13 86.82 74.47 25.17 0.36 22.41 49.62 2.91 0.03 0.39 0.00 23.17 1.47 15 P C C 35.34 13.85 13.60 28.55 115.44 -157.08 -70.29 143.67 59.33 40.63 0.04 54.75 2.03 0.19 0.00 0.03 0.00 42.65 0.34 16 F E E 42.65 12.62 20.20 33.96 129.40 -169.72 -125.65 146.86 3.23 96.77 0.00 2.80 0.20 0.01 0.00 0.00 0.00 96.89 0.11 17 Y E E 31.67 19.55 19.47 38.54 126.81 -156.36 -119.23 142.16 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 18 R E E 50.52 15.24 24.99 39.74 130.63 -172.74 -130.11 143.77 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 19 I E E 7.71 23.53 21.89 45.52 118.15 -142.74 -104.59 128.45 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 20 V E E 11.07 19.03 25.85 44.58 125.96 -170.09 -119.98 140.02 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 21 V E E 10.54 21.31 24.46 45.43 119.77 -151.67 -108.56 130.54 0.56 99.44 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.01 22 A E E 8.78 17.95 20.50 38.92 133.15 -170.65 -131.81 154.92 4.83 95.17 0.00 4.52 0.14 0.00 0.00 0.00 0.00 95.09 0.24 23 D E E 36.42 10.77 19.82 31.64 114.14 -103.16 -71.70 147.83 23.58 76.35 0.06 21.85 1.43 0.15 0.02 0.04 0.00 75.10 1.42 24 A C T 60.34 10.37 15.31 26.53 91.77 -116.64 -63.15 -25.16 98.92 0.58 0.51 0.58 11.44 87.07 0.02 0.41 0.00 0.38 0.10 25 R C T 176.89 1.29 17.95 18.18 94.45 58.20 -84.05 -9.71 99.00 0.47 0.53 0.80 12.68 85.62 0.03 0.45 0.00 0.32 0.10 26 S C S 31.29 12.35 9.95 23.14 114.04 75.73 -103.77 110.52 96.37 3.39 0.24 28.31 67.87 0.57 0.07 0.12 0.00 1.19 1.86 27 P C C 71.80 6.03 13.88 21.47 102.26 -141.44 -66.34 0.99 93.56 1.97 4.47 78.49 5.28 8.76 0.59 4.78 0.00 1.08 1.01 28 R C T 149.80 6.44 12.75 20.58 94.58 -95.22 -66.96 -24.40 87.15 0.77 12.09 4.79 12.22 67.40 0.54 14.22 0.00 0.43 0.41 29 D C T 107.74 2.54 16.30 19.07 97.26 52.20 -86.95 1.53 85.73 0.54 13.74 3.73 11.01 68.42 0.59 15.68 0.00 0.29 0.29 30 G C C 29.35 12.57 13.12 25.69 100.77 -108.09 81.39 5.34 91.12 1.88 7.00 46.01 32.73 10.89 0.47 8.10 0.00 1.03 0.78 31 R C C 119.08 5.93 18.87 25.76 113.38 144.47 -83.21 134.31 93.07 6.44 0.49 79.17 12.35 1.48 0.11 0.47 0.00 4.78 1.65 32 I E E 63.57 15.31 14.32 29.35 112.07 -127.83 -80.63 125.47 42.92 56.98 0.10 41.36 1.41 0.13 0.04 0.07 0.00 52.64 4.35 33 I E E 65.48 11.87 18.08 30.38 100.82 177.88 -94.23 -34.06 38.11 61.87 0.03 20.72 17.44 0.25 0.00 0.02 0.00 61.37 0.19 34 E E E 73.86 8.79 21.64 31.03 139.42 -4.23 -151.62 151.07 2.35 97.64 0.01 1.88 0.33 0.02 0.00 0.01 0.00 97.72 0.04 35 Q E E 89.77 12.89 19.19 31.76 113.00 -125.16 -89.57 124.51 0.56 99.44 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.38 0.03 36 I E E 22.34 19.30 18.01 37.36 101.10 176.19 -98.77 -22.44 2.93 97.05 0.01 2.33 0.47 0.06 0.00 0.01 0.00 97.09 0.04 37 G E E 8.93 12.40 22.28 35.90 144.33 -45.47 161.54 177.33 4.00 95.98 0.02 2.75 1.01 0.12 0.00 0.01 0.00 96.07 0.04 38 T E E 44.12 14.06 21.65 35.76 133.79 -104.43 -138.30 151.66 3.78 96.20 0.02 3.46 0.30 0.03 0.00 0.01 0.00 95.99 0.21 39 Y E E 45.74 17.63 18.07 35.68 122.76 -148.21 -115.17 135.21 10.30 89.67 0.03 9.10 0.99 0.06 0.02 0.02 0.00 86.70 3.11 40 N C C 49.21 10.08 18.93 30.35 111.17 -162.70 -115.98 107.36 80.73 19.23 0.05 76.57 3.08 0.19 0.01 0.04 0.00 19.50 0.61 41 P C T 52.84 12.59 14.26 27.86 95.35 -165.10 -67.46 -19.88 89.92 7.08 3.00 31.93 26.17 32.01 0.33 2.88 0.00 5.80 0.87 42 T C S 94.47 3.55 15.21 19.60 97.87 55.10 -87.35 -10.78 92.37 3.18 4.45 21.46 35.91 35.12 0.64 3.89 0.00 1.80 1.19 43 S C C 52.76 6.50 10.44 18.76 116.12 68.22 -106.24 130.30 91.43 3.33 5.24 46.35 30.74 13.96 0.97 4.56 0.00 1.47 1.94 44 A C T 86.72 2.89 11.65 16.16 98.70 -150.84 -73.91 -20.66 95.90 1.00 3.10 18.96 33.00 43.86 0.46 2.74 0.00 0.51 0.48 45 N C T 134.60 0.98 14.21 14.52 99.02 45.95 -89.74 21.51 96.77 1.00 2.22 20.18 32.99 43.44 0.26 2.19 0.00 0.54 0.39 46 A C C 37.24 12.58 9.51 22.47 116.61 114.23 -81.32 142.45 94.04 3.56 2.40 54.25 34.13 5.66 0.42 2.25 0.00 2.00 1.29 47 P C C 76.73 6.35 15.79 23.24 104.71 -127.57 -71.50 24.29 93.39 5.00 1.61 73.71 14.18 5.29 0.23 1.59 0.00 4.41 0.59 48 E C E 104.48 7.65 17.66 26.25 120.95 -97.96 -108.79 135.73 51.92 46.38 1.70 43.97 5.98 1.95 0.37 1.40 0.00 44.69 1.63 49 I E E 31.19 19.84 13.09 32.39 124.14 -165.34 -119.99 135.35 18.19 81.64 0.18 16.96 1.02 0.14 0.09 0.09 0.00 80.20 1.50 50 K E E 120.25 5.07 23.45 29.66 120.74 -158.29 -111.18 134.18 9.96 89.94 0.10 9.25 0.61 0.09 0.07 0.05 0.00 88.04 1.90 51 V E E 16.86 23.38 11.84 34.72 121.00 -154.22 -106.45 133.82 28.46 71.46 0.08 27.91 0.75 0.05 0.06 0.03 0.00 68.33 2.86 52 D C C 72.77 5.70 21.46 27.66 105.98 -127.61 -84.12 107.79 87.16 12.69 0.15 87.44 0.54 0.05 0.10 0.02 0.00 11.43 0.43 53 E H H 83.98 14.45 14.32 28.65 93.49 -165.72 -63.48 -36.29 1.27 0.00 98.72 0.25 0.11 0.69 98.60 0.35 0.00 0.00 0.00 54 A H H 73.99 1.66 21.94 21.98 91.63 53.92 -63.15 -41.12 0.42 0.00 99.58 0.03 0.02 0.29 99.30 0.35 0.00 0.00 0.00 55 L H H 48.87 9.30 19.23 29.74 91.89 48.67 -65.42 -40.76 0.12 0.00 99.88 0.01 0.01 0.07 99.67 0.24 0.00 0.00 0.00 56 A H H 2.51 24.60 14.05 39.11 91.35 51.37 -63.06 -43.66 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.05 0.00 0.00 0.00 57 L H H 55.16 9.93 20.75 31.40 91.50 50.28 -63.47 -41.39 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 58 K H H 114.54 2.13 23.90 24.44 91.63 50.91 -63.78 -42.07 0.11 0.00 99.89 0.00 0.00 0.08 99.86 0.05 0.00 0.00 0.00 59 W H H 29.87 16.07 17.29 34.01 91.76 50.13 -64.49 -42.58 0.26 0.00 99.74 0.02 0.01 0.21 99.57 0.20 0.00 0.00 0.00 60 L H H 29.58 19.28 14.67 33.37 91.67 51.00 -64.25 -39.24 0.88 0.00 99.12 0.04 0.03 0.78 98.59 0.56 0.00 0.00 0.00 61 N H H 119.63 2.31 18.56 21.53 90.24 56.12 -67.31 -24.23 10.33 0.01 89.66 0.17 0.25 10.47 88.45 0.64 0.01 0.00 0.01 62 D C T 94.68 3.60 16.76 21.10 93.60 55.54 -88.89 0.54 85.97 0.02 14.00 0.31 1.53 83.27 14.33 0.53 0.00 0.00 0.03 63 G C T 45.68 4.49 18.79 24.00 100.60 -97.47 92.35 7.24 99.61 0.02 0.37 2.18 1.96 95.54 0.25 0.05 0.00 0.01 0.01 64 A C C 17.27 19.94 10.99 30.53 116.56 158.05 -71.10 143.37 98.65 1.30 0.05 97.78 1.02 0.08 0.02 0.01 0.00 0.72 0.37 65 K C C 137.36 3.05 24.23 27.70 115.69 -136.89 -100.94 126.57 92.18 7.81 0.02 91.97 1.11 0.04 0.01 0.00 0.00 6.08 0.78 66 P C C 32.77 21.70 12.35 32.94 116.95 -118.93 -69.24 148.26 87.07 12.90 0.04 88.49 0.65 0.03 0.02 0.01 0.00 7.04 3.76 67 T C C 42.89 9.65 17.04 27.87 121.95 -118.14 -77.87 164.79 98.45 1.47 0.09 98.35 0.44 0.03 0.05 0.01 0.00 0.51 0.61 68 D H H 114.66 1.97 18.11 20.40 90.84 -101.73 -60.14 -35.29 1.39 0.00 98.60 0.17 0.23 0.79 98.67 0.14 0.00 0.00 0.00 69 T H H 62.47 6.61 19.20 26.57 91.85 52.80 -64.81 -41.29 0.57 0.00 99.43 0.04 0.04 0.39 99.41 0.12 0.00 0.00 0.00 70 V H H 7.26 23.04 14.99 38.03 91.85 48.16 -65.00 -42.69 0.17 0.00 99.83 0.02 0.01 0.09 99.80 0.07 0.00 0.00 0.00 71 H H H 68.47 13.28 18.56 31.70 91.18 51.21 -62.13 -42.21 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 72 N H H 87.49 2.24 23.35 23.98 91.72 49.89 -64.14 -42.03 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 73 I H H 29.55 11.74 19.39 32.49 91.51 49.41 -64.02 -43.29 0.37 0.00 99.63 0.02 0.02 0.27 99.64 0.05 0.00 0.00 0.00 74 L H H 8.25 21.06 14.71 36.10 91.80 48.48 -64.51 -42.17 0.85 0.01 99.15 0.12 0.07 0.54 99.13 0.14 0.00 0.00 0.00 75 S H H 53.26 7.39 17.00 25.41 91.82 51.16 -63.99 -40.71 2.62 0.01 97.38 0.32 0.14 1.94 96.92 0.67 0.00 0.00 0.00 76 K H H 149.32 1.56 18.14 19.31 91.41 52.00 -65.68 -32.94 8.00 0.01 92.00 0.21 0.28 7.68 91.15 0.67 0.01 0.00 0.00 77 E C T 88.29 8.57 14.40 24.12 93.63 50.65 -86.47 -3.44 75.41 0.02 24.57 0.28 1.64 73.07 24.22 0.76 0.00 0.00 0.02 78 G C T 39.75 4.42 18.56 23.85 96.14 -111.69 80.76 12.16 98.46 0.02 1.53 1.44 2.41 94.60 1.43 0.11 0.00 0.00 0.01 79 I H H 27.01 14.30 15.10 30.70 95.28 121.77 -73.68 -31.20 20.54 0.08 79.38 13.63 2.53 4.59 77.96 1.21 0.00 0.03 0.06 80 M H H 39.98 16.13 14.81 30.87 92.74 58.78 -63.39 -42.24 3.24 0.02 96.74 0.74 0.45 1.98 95.42 1.39 0.00 0.01 0.00 81 K H H 121.52 2.62 20.27 22.55 91.86 51.56 -63.87 -41.25 1.15 0.01 98.83 0.32 0.12 0.64 97.48 1.43 0.00 0.01 0.00 82 K H H 107.47 3.14 19.64 22.66 92.01 49.45 -65.54 -41.29 1.02 0.01 98.97 0.26 0.10 0.58 97.99 1.05 0.00 0.01 0.00 83 F H H 41.42 12.42 14.72 28.35 92.34 48.82 -65.42 -41.92 1.27 0.01 98.73 0.32 0.14 0.70 98.25 0.59 0.00 0.00 0.00 84 D H H 56.05 7.32 15.14 24.11 92.00 50.44 -64.35 -40.75 2.02 0.01 97.96 0.50 0.20 1.14 97.64 0.51 0.00 0.00 0.00 85 E H H 112.07 1.81 16.47 17.71 92.51 50.15 -65.33 -39.86 3.24 0.02 96.75 0.65 0.31 2.01 96.34 0.67 0.00 0.01 0.00 86 Q H H 93.18 3.61 13.91 18.64 92.95 50.80 -67.30 -37.74 6.41 0.03 93.56 1.34 0.72 4.02 92.76 1.13 0.01 0.01 0.01 87 K H H 104.69 6.28 11.55 19.25 93.56 52.45 -69.15 -33.39 16.86 0.09 83.05 3.24 1.90 11.18 82.10 1.47 0.02 0.04 0.05 88 K H H 140.78 2.22 11.35 14.65 96.22 51.98 -76.14 -20.09 36.98 0.32 62.70 9.19 5.50 22.59 60.64 1.73 0.03 0.11 0.20 89 A C C 79.56 2.27 9.15 12.92 102.81 75.30 -79.62 9.09 67.75 0.35 31.90 41.42 2.02 21.69 33.21 1.31 0.00 0.13 0.22 90 K C C 150.34 2.44 10.92 14.85 106.82 -128.20 -82.09 94.05 99.95 0.02 0.04 99.83 0.07 0.07 0.02 0.00 0.00 0.01 0.00