# 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 57.76 8.24 15.29 24.42 116.64 -149.81 -91.89 141.48 99.82 0.11 0.07 99.75 0.08 0.07 0.04 0.01 0.00 0.05 0.01 1 W C C 144.75 8.05 11.70 20.76 108.91 -130.47 -85.20 116.49 79.45 7.13 13.42 71.52 1.76 6.94 8.20 4.15 0.00 4.00 3.44 2 R C C 148.73 4.98 11.57 18.21 107.74 119.44 -85.52 65.85 68.49 7.28 24.23 36.40 13.39 19.55 13.59 9.88 0.09 4.06 3.04 3 G C C 44.57 5.00 13.48 19.64 109.26 38.16 44.05 -62.18 66.29 3.08 30.62 27.92 18.10 21.41 16.41 13.10 0.06 1.55 1.45 4 S C C 64.59 5.65 14.88 21.51 104.87 43.96 -83.58 -3.05 59.08 2.68 38.23 28.59 15.06 16.22 22.50 14.93 0.08 1.28 1.35 5 I H H 52.37 15.45 13.57 28.49 99.45 74.21 -73.86 -27.96 47.81 3.25 48.94 19.43 11.29 18.12 26.56 21.09 0.29 1.69 1.53 6 S H G 40.13 13.75 14.82 28.42 97.72 61.10 -69.91 -26.46 41.70 2.45 55.85 18.23 7.67 16.21 25.15 30.30 0.10 1.44 0.90 7 K C G 132.42 4.52 19.24 24.50 94.75 61.98 -72.89 -17.03 49.71 1.98 48.31 10.64 9.06 29.54 18.87 29.66 0.16 1.23 0.85 8 S C T 46.57 10.33 18.18 29.06 97.39 52.85 -90.59 -6.29 59.32 3.00 37.68 15.80 9.97 33.97 13.24 23.87 0.09 2.02 1.04 9 M C C 20.51 22.54 12.35 34.29 115.89 98.55 -87.38 129.88 67.70 31.40 0.91 62.34 3.86 0.73 0.39 0.48 0.00 30.39 1.81 10 K C C 104.48 6.74 22.95 30.18 101.35 176.75 -96.81 -29.22 59.85 39.99 0.16 42.52 16.07 0.51 0.04 0.11 0.00 40.22 0.54 11 E E E 64.00 10.77 23.69 34.71 132.56 7.29 -144.88 142.33 5.22 94.72 0.06 4.26 0.66 0.07 0.01 0.03 0.00 94.82 0.15 12 L E E 7.97 24.89 17.55 42.68 121.35 -160.21 -116.37 129.84 1.00 98.99 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.06 0.02 13 R E E 71.82 11.00 26.95 38.33 118.15 -161.83 -112.95 124.23 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 14 I E E 5.15 25.23 19.80 45.59 118.30 -164.32 -111.81 125.17 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 15 L E E 33.31 13.21 27.44 41.23 114.50 -161.19 -106.92 121.92 1.01 98.99 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.02 0.03 16 L E E 9.00 23.67 19.81 43.16 124.37 -168.01 -111.29 140.74 22.42 77.56 0.02 20.75 0.78 0.03 0.00 0.01 0.00 77.97 0.45 17 C C C 17.40 15.51 20.27 36.57 111.67 -136.16 -95.50 121.32 83.19 16.75 0.06 82.62 1.07 0.14 0.01 0.03 0.00 15.34 0.80 18 Q C T 82.44 12.22 17.87 30.42 96.77 -158.60 -77.54 -8.35 98.70 1.03 0.27 14.21 35.86 48.75 0.04 0.26 0.00 0.68 0.20 19 S C S 79.71 3.16 18.56 22.17 98.52 66.27 -91.16 -7.35 99.35 0.29 0.37 6.51 48.50 44.40 0.04 0.29 0.00 0.13 0.14 20 S C S 35.15 10.55 12.13 24.19 123.01 84.31 -104.30 142.42 99.39 0.39 0.22 42.38 56.57 0.41 0.08 0.09 0.00 0.08 0.38 21 P H G 105.60 2.32 17.36 20.24 92.11 -123.25 -60.80 -30.78 17.54 0.06 82.41 1.09 1.59 13.39 2.57 81.31 0.00 0.03 0.01 22 A H G 49.06 10.48 16.27 27.62 91.34 62.97 -69.17 -20.49 15.62 0.03 84.34 0.65 1.05 12.83 2.59 82.85 0.00 0.02 0.01 23 S H G 8.00 21.23 12.08 33.61 95.97 51.83 -94.89 -0.63 13.68 0.06 86.26 2.80 1.60 7.93 4.93 82.69 0.00 0.04 0.01 24 A H H 57.35 6.81 19.87 28.14 92.19 100.87 -58.88 -41.90 5.32 0.01 94.68 1.16 0.90 2.96 93.44 1.52 0.00 0.00 0.01 25 P H H 66.53 4.96 23.18 28.34 91.42 50.89 -63.98 -38.83 3.11 0.00 96.89 0.27 0.27 2.45 95.77 1.23 0.00 0.00 0.00 26 T H H 7.89 22.77 18.02 40.61 92.19 49.67 -65.47 -41.45 0.84 0.00 99.16 0.12 0.06 0.53 98.36 0.93 0.00 0.00 0.00 27 R H H 60.70 17.23 20.27 36.41 91.53 52.96 -62.07 -42.38 0.23 0.00 99.77 0.04 0.02 0.11 99.72 0.12 0.00 0.00 0.00 28 T H H 73.03 2.55 25.30 26.51 91.44 50.33 -63.61 -41.90 0.30 0.00 99.70 0.04 0.01 0.16 99.73 0.06 0.00 0.00 0.00 29 F H H 28.44 13.51 20.40 34.93 91.68 50.53 -63.45 -43.58 0.28 0.00 99.71 0.03 0.02 0.17 99.73 0.05 0.00 0.00 0.00 30 V H H 2.96 25.93 15.78 42.10 91.39 49.11 -63.78 -42.95 0.42 0.00 99.58 0.04 0.02 0.29 99.58 0.08 0.00 0.00 0.00 31 E H H 96.49 8.95 20.22 29.48 91.78 50.19 -64.16 -39.90 1.39 0.00 98.61 0.06 0.06 1.18 98.47 0.23 0.00 0.00 0.00 32 K H H 133.77 1.84 22.12 22.56 94.16 43.42 -74.45 -34.57 10.45 0.00 89.55 0.13 0.28 10.62 88.33 0.63 0.01 0.00 0.00 33 N H H 39.77 13.97 16.57 30.91 102.15 29.44 -107.60 -13.97 33.91 0.02 66.07 0.59 0.89 32.04 65.54 0.91 0.01 0.00 0.01 34 Y H H 23.76 22.52 13.42 35.15 92.81 83.56 -61.73 -42.33 7.99 0.09 91.92 3.59 0.96 3.36 90.28 1.73 0.00 0.04 0.03 35 K H H 121.39 3.36 20.83 24.34 91.82 53.55 -63.45 -40.63 1.83 0.01 98.16 0.46 0.17 1.02 97.08 1.24 0.00 0.01 0.00 36 D H H 81.39 2.89 21.72 23.92 92.19 49.03 -65.78 -40.29 1.12 0.01 98.87 0.23 0.10 0.67 97.87 1.12 0.00 0.00 0.00 37 L H H 10.06 20.95 13.64 34.74 92.24 50.72 -65.20 -41.81 0.66 0.00 99.34 0.10 0.06 0.41 98.64 0.79 0.00 0.00 0.00 38 K H H 78.09 13.38 15.01 28.34 91.67 53.38 -64.97 -33.97 1.74 0.01 98.25 0.18 0.12 1.36 97.29 1.04 0.00 0.00 0.00 39 S H H 87.15 1.12 18.67 18.21 92.70 51.82 -68.52 -34.04 7.18 0.01 92.81 0.22 0.35 6.63 92.04 0.74 0.01 0.00 0.00 40 L H H 88.54 6.27 16.20 23.32 96.58 41.86 -81.49 -31.18 11.04 0.03 88.93 0.36 1.56 9.04 88.63 0.36 0.02 0.01 0.02 41 N C C 33.94 14.57 11.23 26.35 113.97 20.71 -135.15 84.37 99.84 0.10 0.06 90.11 9.51 0.19 0.04 0.01 0.00 0.02 0.11 42 P C T 92.78 5.16 14.19 21.71 92.68 175.80 -65.98 -19.48 99.70 0.05 0.25 0.92 3.03 95.80 0.02 0.20 0.00 0.02 0.02 43 K C T 154.67 1.77 18.70 20.20 92.70 61.05 -84.52 -6.72 99.75 0.06 0.20 0.47 4.06 95.25 0.01 0.16 0.00 0.04 0.01 44 L C S 17.11 21.67 10.23 31.43 114.89 99.54 -86.69 127.58 99.14 0.84 0.02 18.57 80.73 0.14 0.00 0.01 0.00 0.42 0.13 45 P C C 64.19 5.50 24.25 29.97 113.21 -122.59 -70.36 139.39 95.64 4.35 0.00 95.04 0.96 0.02 0.00 0.00 0.00 3.83 0.15 46 I E E 26.03 23.73 12.61 35.75 121.38 -158.65 -116.47 129.66 4.85 95.15 0.00 4.78 0.12 0.00 0.00 0.00 0.00 94.68 0.41 47 L E E 64.46 7.67 24.37 32.47 118.55 -164.47 -111.55 128.80 0.45 99.55 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 48 I E E 57.48 19.39 15.11 33.46 120.29 -159.07 -110.97 127.71 0.36 99.64 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.64 0.00 49 R E E 103.00 7.20 20.91 29.12 128.04 -177.99 -130.25 141.08 0.79 99.21 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.18 0.02 50 E E E 108.65 8.73 17.61 27.40 115.13 -124.56 -78.99 134.97 6.03 93.96 0.01 5.83 0.20 0.02 0.00 0.01 0.00 93.66 0.27 51 C C C 28.14 17.49 11.11 28.16 117.78 -164.57 -112.18 126.53 69.67 30.22 0.11 68.87 0.88 0.14 0.02 0.07 0.00 29.17 0.85 52 S C T 85.60 2.37 16.83 19.95 114.22 -159.91 -91.96 134.58 88.30 11.04 0.66 30.58 23.50 34.71 0.07 0.69 0.00 9.40 1.06 53 G C S 54.25 2.72 17.37 20.21 98.49 14.14 82.43 -0.26 96.12 3.54 0.34 13.21 42.20 40.79 0.02 0.43 0.00 2.96 0.39 54 V C C 47.30 14.03 13.55 28.06 119.18 125.95 -99.65 137.08 93.11 6.78 0.11 79.76 13.48 0.42 0.03 0.10 0.00 3.98 2.22 55 Q C C 85.40 8.03 22.76 31.09 118.82 -137.84 -95.69 142.50 96.16 3.82 0.02 85.35 10.94 0.20 0.00 0.02 0.00 3.09 0.40 56 P C C 14.75 21.87 16.40 38.26 114.31 -95.56 -68.26 143.66 91.62 8.37 0.02 78.62 12.11 0.22 0.00 0.02 0.00 8.78 0.25 57 Q E E 52.37 11.78 25.26 37.36 133.33 -173.26 -137.24 148.12 2.05 97.95 0.00 1.94 0.08 0.00 0.00 0.00 0.00 97.82 0.16 58 M E E 7.31 24.76 18.45 43.71 121.98 -149.08 -113.42 132.74 0.26 99.74 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 59 W E E 57.90 11.10 26.06 37.94 123.88 -167.57 -119.38 135.32 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 A E E 4.39 23.64 17.13 41.14 128.52 -172.18 -126.93 144.01 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 61 R E E 79.41 8.44 23.19 32.43 117.81 -145.23 -108.73 126.54 0.25 99.75 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.73 0.02 62 Y C C 29.04 17.39 12.52 30.12 126.09 -160.08 -96.38 167.63 55.84 44.06 0.09 55.69 0.47 0.09 0.01 0.04 0.00 43.13 0.58 63 D C T 93.95 6.12 15.07 22.29 96.22 -94.07 -64.47 -20.78 97.51 0.52 1.97 0.38 3.46 93.64 0.02 2.11 0.00 0.32 0.06 64 M C T 128.40 2.95 13.99 17.67 95.24 47.05 -87.13 4.37 97.66 0.08 2.26 0.27 2.65 94.54 0.04 2.45 0.00 0.04 0.02 65 G C S 47.99 3.46 13.95 18.53 101.51 -96.26 90.47 2.63 98.10 0.59 1.31 16.97 76.44 4.82 0.13 1.09 0.00 0.33 0.22 66 V C C 78.29 4.94 14.20 20.78 116.22 134.27 -82.02 137.51 95.23 4.74 0.02 95.33 0.68 0.05 0.01 0.01 0.00 3.54 0.38 67 E E E 101.15 10.91 12.95 24.89 122.89 -155.24 -115.11 136.63 1.95 98.05 0.00 1.85 0.07 0.00 0.00 0.00 0.00 97.92 0.16 68 R E E 91.05 9.72 17.88 28.70 129.02 -175.31 -130.92 142.58 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 69 C E E 66.64 12.57 16.72 29.78 125.39 -161.27 -121.49 137.66 0.39 99.61 0.00 0.32 0.02 0.00 0.00 0.00 0.00 99.65 0.00 70 V E E 28.08 15.64 17.27 33.76 124.52 -171.87 -128.44 132.18 0.89 99.11 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.03 71 N E E 91.21 5.67 23.05 29.37 111.93 -124.66 -79.70 129.71 6.17 93.81 0.01 5.72 0.24 0.03 0.00 0.01 0.00 93.80 0.21 72 L C C 8.78 23.81 12.06 36.48 100.98 -171.69 -103.47 8.76 84.58 14.59 0.83 81.76 1.97 0.87 0.14 0.70 0.00 13.42 1.12 73 D C T 90.32 6.19 18.03 26.12 111.68 131.12 -65.88 129.89 96.45 2.87 0.68 5.39 8.34 82.97 0.08 0.59 0.00 2.10 0.54 74 G C T 59.28 1.66 19.74 20.78 93.72 14.57 79.14 3.02 99.03 0.64 0.33 3.38 12.22 83.43 0.02 0.35 0.00 0.52 0.09 75 L C C 28.17 18.62 9.59 27.71 120.24 135.70 -85.25 143.78 97.26 2.66 0.08 86.36 10.93 0.14 0.03 0.04 0.00 1.05 1.43 76 T C C 69.21 2.71 22.90 24.26 122.26 -128.58 -84.52 161.90 98.36 1.59 0.05 97.66 0.90 0.03 0.03 0.01 0.00 0.33 1.04 77 E H H 81.38 15.01 13.53 28.28 91.52 -105.47 -57.14 -39.77 0.78 0.00 99.22 0.08 0.07 0.49 99.16 0.20 0.00 0.00 0.00 78 P H H 89.85 2.06 20.48 21.68 91.64 52.70 -63.59 -39.97 0.42 0.00 99.58 0.03 0.02 0.29 99.39 0.27 0.00 0.00 0.00 79 Q H H 76.97 6.34 20.00 27.05 91.81 49.02 -66.06 -40.11 0.12 0.00 99.88 0.01 0.01 0.07 99.71 0.20 0.00 0.00 0.00 80 I H H 4.98 24.28 14.79 39.36 91.66 50.24 -63.46 -43.96 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 81 L H H 49.02 12.88 20.59 33.65 91.39 50.60 -62.43 -42.22 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 82 K H H 122.29 1.81 25.45 25.41 91.65 50.02 -64.12 -41.45 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 83 A H H 15.87 13.58 20.28 34.83 91.78 50.18 -63.87 -42.49 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 84 L H H 5.98 24.76 17.33 42.08 91.61 50.12 -63.54 -42.71 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 85 E H H 88.20 7.57 22.01 30.03 91.26 51.21 -62.73 -41.34 0.40 0.00 99.60 0.04 0.02 0.24 99.62 0.07 0.00 0.00 0.00 86 N H H 89.14 2.64 23.07 24.69 91.79 49.50 -65.13 -40.63 1.49 0.00 98.50 0.14 0.08 1.08 98.50 0.19 0.00 0.00 0.00 87 L H H 23.13 16.45 16.31 33.18 92.40 50.14 -65.52 -41.48 3.55 0.02 96.43 0.48 0.29 2.49 96.32 0.41 0.00 0.00 0.01 88 V H H 39.30 15.68 14.96 30.44 93.10 49.29 -67.64 -35.44 10.83 0.13 89.05 2.27 1.34 6.95 88.56 0.74 0.02 0.05 0.06 89 K H H 148.10 1.88 17.15 18.95 95.09 51.52 -75.88 -18.43 31.05 0.34 68.61 6.56 4.27 19.76 67.92 1.14 0.03 0.12 0.19 90 S C H 71.09 4.54 11.66 17.80 99.91 69.07 -78.74 -1.49 57.83 0.69 41.47 14.10 10.91 32.00 40.62 1.72 0.03 0.24 0.38 91 G C C 53.85 3.57 12.43 17.58 103.13 -74.09 64.77 8.37 84.99 0.45 14.57 52.50 2.18 29.17 14.54 1.14 0.00 0.18 0.28 92 A C C 65.41 7.20 11.99 20.48 105.59 134.03 -76.82 73.08 99.96 0.02 0.02 99.85 0.07 0.06 0.01 0.00 0.00 0.01 0.00