# 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 L C C 67.39 13.72 17.30 30.59 113.98 -158.34 -88.21 122.53 99.77 0.23 0.00 99.79 0.05 0.02 0.00 0.00 0.00 0.14 0.01 1 G C C 37.36 7.88 19.63 27.63 105.29 -126.48 76.85 9.52 86.05 13.80 0.15 84.52 0.93 0.90 0.03 0.08 0.00 12.36 1.17 2 L C C 34.61 20.15 11.65 30.58 114.30 138.93 -87.63 126.43 59.46 40.32 0.22 55.26 2.72 0.55 0.04 0.19 0.00 39.84 1.40 3 R C E 122.64 6.05 20.71 27.46 100.95 174.88 -95.39 -30.47 54.88 45.05 0.07 30.95 22.97 0.58 0.01 0.07 0.00 45.12 0.30 4 E E E 61.44 10.44 22.31 33.27 135.78 8.27 -147.83 146.34 7.85 92.07 0.09 6.31 1.09 0.09 0.01 0.07 0.00 92.33 0.10 5 I E E 9.22 24.47 17.11 41.88 121.88 -159.13 -118.56 129.55 1.64 98.36 0.00 1.49 0.04 0.00 0.00 0.00 0.00 98.44 0.02 6 R E E 70.53 10.84 26.79 38.12 119.97 -163.45 -114.94 125.44 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.01 7 I E E 4.92 25.51 19.77 45.92 119.03 -164.26 -112.06 126.51 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 8 H E E 40.85 13.05 27.74 41.31 115.58 -163.61 -108.76 122.01 0.86 99.14 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.16 0.04 9 L E E 7.41 24.18 20.08 44.06 124.37 -170.79 -110.36 141.09 21.14 78.85 0.01 19.62 0.73 0.03 0.00 0.01 0.00 79.10 0.50 10 C C C 16.74 15.61 20.71 37.04 113.98 -135.25 -98.49 124.55 86.65 13.30 0.06 86.09 1.12 0.16 0.01 0.03 0.00 11.79 0.79 11 Q C S 79.35 12.72 18.17 31.06 97.94 -159.69 -79.34 -9.40 98.97 0.79 0.25 13.99 49.73 35.35 0.04 0.22 0.00 0.47 0.19 12 R C S 156.68 3.20 19.16 22.85 99.32 61.69 -93.06 -7.14 99.36 0.31 0.32 6.32 63.07 30.06 0.04 0.21 0.00 0.13 0.16 13 S C S 36.12 10.32 13.08 24.87 126.49 77.25 -113.22 152.51 99.34 0.34 0.32 31.53 67.17 0.65 0.12 0.11 0.00 0.08 0.34 14 P H G 103.55 2.80 18.14 21.61 92.55 -111.53 -61.45 -29.62 20.60 0.06 79.34 1.12 1.91 16.12 2.97 77.84 0.00 0.03 0.02 15 G H G 24.91 13.02 16.37 29.91 91.45 62.89 -69.74 -20.47 18.41 0.05 81.54 0.90 1.36 15.00 3.39 79.30 0.00 0.03 0.02 16 S H G 7.58 21.65 13.23 35.22 95.66 55.97 -89.73 -2.36 16.97 0.11 82.92 6.02 2.21 7.61 6.57 77.49 0.00 0.07 0.03 17 Q H H 98.17 6.16 22.36 29.77 92.73 95.43 -60.82 -39.97 3.46 0.00 96.54 0.57 0.42 2.30 95.69 1.03 0.00 0.00 0.00 18 G H H 24.36 8.33 23.19 32.26 92.12 49.39 -63.01 -39.82 1.92 0.00 98.08 0.12 0.14 1.57 97.55 0.61 0.00 0.00 0.00 19 V H H 5.10 24.55 18.96 43.32 92.00 50.30 -65.31 -42.43 0.32 0.00 99.68 0.05 0.02 0.18 99.49 0.25 0.00 0.00 0.00 20 R H H 65.22 16.35 21.73 36.97 91.51 52.18 -62.11 -42.52 0.10 0.00 99.90 0.01 0.00 0.05 99.88 0.05 0.00 0.00 0.00 21 D H H 76.00 2.86 25.66 27.53 91.40 49.99 -63.54 -42.04 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 22 F H H 18.88 15.96 19.86 36.68 91.67 50.28 -63.42 -43.69 0.29 0.00 99.71 0.02 0.02 0.19 99.73 0.04 0.00 0.00 0.00 23 I H H 5.17 25.00 16.20 41.29 91.55 48.75 -64.00 -42.62 0.59 0.00 99.41 0.05 0.03 0.42 99.41 0.09 0.00 0.00 0.00 24 E H H 101.97 7.63 20.04 28.16 92.48 48.06 -67.00 -39.11 2.02 0.00 97.98 0.07 0.08 1.83 97.76 0.26 0.00 0.00 0.00 25 K H H 130.18 2.14 21.15 22.40 99.08 35.58 -86.51 -36.10 13.02 0.00 86.97 0.11 0.32 13.57 85.36 0.62 0.01 0.00 0.00 26 R H H 71.63 12.85 17.49 30.53 104.49 24.94 -108.33 -27.26 37.81 0.02 62.17 0.42 1.02 35.93 61.77 0.82 0.01 0.00 0.01 27 Y H H 16.37 22.97 14.71 37.05 93.94 57.54 -65.99 -42.39 7.55 0.05 92.39 2.00 0.92 4.26 91.71 1.06 0.00 0.02 0.02 28 V H H 62.59 6.30 20.13 27.23 91.99 52.00 -62.90 -41.88 1.11 0.00 98.88 0.28 0.09 0.58 98.67 0.37 0.00 0.00 0.00 29 E H H 101.59 2.64 22.43 24.06 92.04 49.71 -64.73 -40.67 0.46 0.00 99.54 0.09 0.03 0.26 99.29 0.33 0.00 0.00 0.00 30 L H H 13.78 17.99 14.83 33.44 92.16 50.48 -65.06 -41.69 0.23 0.00 99.77 0.03 0.01 0.14 99.56 0.26 0.00 0.00 0.00 31 K H H 71.29 14.22 14.46 28.54 91.76 52.72 -64.55 -36.85 0.64 0.00 99.36 0.06 0.04 0.47 99.10 0.34 0.00 0.00 0.00 32 K H H 155.66 1.15 18.08 18.14 92.42 51.07 -66.93 -35.84 3.51 0.00 96.49 0.09 0.14 3.25 96.21 0.32 0.00 0.00 0.00 33 A H H 67.98 4.11 15.84 20.70 95.35 42.68 -78.89 -29.76 7.66 0.01 92.33 0.18 0.78 6.56 92.26 0.19 0.01 0.00 0.01 34 N C C 41.86 12.47 11.08 24.54 114.30 22.08 -135.55 83.42 99.87 0.08 0.05 88.86 10.82 0.15 0.03 0.01 0.00 0.02 0.10 35 P C T 93.38 5.24 13.26 20.96 92.80 175.71 -65.45 -20.06 99.70 0.04 0.25 0.89 2.69 96.18 0.02 0.19 0.00 0.02 0.01 36 D C T 119.72 1.34 18.17 18.83 92.43 60.67 -85.54 -4.79 99.80 0.04 0.16 0.54 3.42 95.86 0.01 0.14 0.00 0.03 0.01 37 L C S 19.54 20.49 10.05 30.20 115.00 103.30 -83.69 130.85 99.25 0.73 0.02 25.13 74.22 0.14 0.00 0.01 0.00 0.35 0.14 38 P C C 65.20 5.55 24.05 29.75 113.10 -120.94 -70.52 140.18 95.29 4.70 0.00 94.79 0.88 0.02 0.00 0.00 0.00 4.11 0.19 39 I E E 23.57 24.02 12.52 36.09 121.42 -156.66 -115.44 129.85 7.44 92.56 0.00 7.11 0.27 0.01 0.00 0.00 0.00 92.16 0.46 40 L E E 64.31 7.67 24.51 32.61 117.66 -163.33 -110.05 128.44 0.52 99.48 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 41 I E E 54.74 20.03 15.05 33.94 120.88 -160.04 -113.49 128.52 0.29 99.71 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 42 R E E 102.15 6.93 21.68 29.59 129.31 174.56 -131.99 143.81 0.47 99.53 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.02 43 E E E 104.04 9.81 17.41 27.97 115.17 -126.97 -81.24 134.76 4.34 95.66 0.00 4.18 0.12 0.01 0.00 0.00 0.00 95.51 0.18 44 C C C 27.06 16.62 11.32 27.83 119.83 -167.66 -121.15 128.23 75.84 24.02 0.13 74.80 0.91 0.18 0.02 0.10 0.00 23.29 0.70 45 S C T 81.00 2.92 15.91 19.92 108.10 -155.28 -92.34 130.31 92.61 6.69 0.70 26.64 28.61 37.73 0.06 0.78 0.00 5.38 0.79 46 D C S 122.87 1.45 17.20 18.00 98.46 13.89 31.94 19.99 97.08 2.50 0.41 11.80 45.29 40.09 0.02 0.50 0.00 1.96 0.33 47 V C C 41.90 14.45 11.91 26.92 121.34 115.49 -105.80 137.20 94.46 5.38 0.15 72.27 22.02 0.66 0.03 0.14 0.00 2.93 1.95 48 Q C C 87.51 7.51 22.62 30.46 117.92 -138.93 -97.42 137.94 96.96 3.02 0.02 90.07 6.98 0.17 0.00 0.02 0.00 2.44 0.32 49 P C C 13.50 22.23 16.02 38.28 114.46 -106.83 -68.47 142.55 92.26 7.72 0.01 84.12 7.62 0.14 0.00 0.01 0.00 7.83 0.27 50 K E E 65.42 11.62 25.39 37.17 133.12 -164.19 -134.85 146.79 2.11 97.89 0.00 2.00 0.08 0.00 0.00 0.00 0.00 97.76 0.16 51 L E E 5.62 24.96 18.40 43.89 122.50 -157.23 -116.96 133.89 0.20 99.80 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 52 W E E 59.62 10.75 26.06 37.68 119.98 -159.88 -110.31 131.45 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 53 A E E 3.89 23.93 16.78 41.13 130.24 -173.92 -128.41 147.93 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 54 R E E 77.46 8.52 23.16 32.54 117.13 -140.77 -106.41 126.17 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 55 Y C C 26.75 17.46 13.06 30.92 124.50 -154.63 -92.20 165.44 51.68 48.24 0.07 51.89 0.39 0.07 0.01 0.03 0.00 47.01 0.60 56 A C T 64.18 7.75 14.87 23.76 92.71 -96.21 -63.19 -25.17 98.08 0.47 1.46 0.24 2.45 95.59 0.02 1.39 0.00 0.27 0.05 57 F C T 142.37 2.87 14.54 18.05 95.84 54.77 -89.03 4.44 98.38 0.07 1.55 0.16 2.00 96.25 0.02 1.51 0.00 0.03 0.02 58 G C S 45.91 4.16 13.91 19.37 102.05 -96.14 92.07 2.85 98.80 0.38 0.82 17.88 77.76 3.26 0.09 0.66 0.00 0.21 0.15 59 Q C C 103.68 3.51 15.17 20.10 117.11 135.03 -79.56 143.51 96.64 3.33 0.02 96.65 0.56 0.05 0.01 0.01 0.00 2.43 0.31 60 E E E 101.66 11.42 12.18 24.52 124.01 -151.97 -115.64 138.51 1.73 98.26 0.00 1.64 0.06 0.00 0.00 0.00 0.00 98.10 0.19 61 K E E 84.24 8.46 17.85 27.68 130.49 -175.86 -134.16 145.51 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 62 N E E 85.71 11.46 16.06 28.50 124.69 -152.95 -120.80 136.91 0.44 99.56 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.00 63 V E E 31.60 14.53 17.21 32.76 126.06 -173.91 -129.76 133.35 0.94 99.06 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.03 64 S E E 57.11 6.45 22.76 29.64 112.73 -120.54 -75.73 132.12 6.14 93.84 0.01 5.87 0.21 0.02 0.00 0.00 0.00 93.67 0.22 65 L C C 7.79 24.42 12.88 37.99 99.26 -169.71 -99.61 0.34 87.51 6.76 5.73 75.01 5.26 6.66 0.58 5.90 0.00 5.63 0.95 66 N C T 76.72 10.34 17.85 28.74 111.85 112.98 -69.82 134.41 95.39 0.95 3.66 2.98 7.93 84.14 0.24 3.77 0.00 0.61 0.34 67 N C T 127.45 1.80 20.35 21.57 94.73 13.64 66.37 18.99 96.64 0.42 2.93 3.84 9.63 82.63 0.15 3.36 0.00 0.28 0.12 68 F C C 43.01 16.48 10.73 27.31 122.00 127.64 -94.21 146.34 97.26 2.56 0.18 69.42 27.80 0.25 0.07 0.09 0.00 0.86 1.50 69 S C C 53.26 3.00 22.84 24.71 121.23 -122.25 -79.49 161.21 96.99 2.89 0.12 96.74 0.59 0.05 0.08 0.01 0.00 0.52 2.00 70 A H H 34.30 17.75 13.20 30.54 91.41 -107.43 -57.80 -38.74 1.03 0.00 98.96 0.10 0.11 0.68 98.75 0.35 0.00 0.00 0.00 71 D H H 103.13 1.96 20.82 22.29 91.34 53.49 -63.75 -39.50 0.48 0.00 99.52 0.04 0.03 0.34 99.19 0.40 0.00 0.00 0.00 72 Q H H 82.43 5.48 20.86 26.76 91.84 48.81 -66.41 -39.93 0.22 0.00 99.78 0.03 0.01 0.13 99.45 0.38 0.00 0.00 0.00 73 V H H 4.02 24.38 15.12 39.86 91.81 50.66 -63.56 -44.16 0.18 0.00 99.82 0.02 0.01 0.10 99.80 0.06 0.00 0.00 0.00 74 T H H 34.24 14.04 20.30 34.46 91.39 50.64 -62.82 -42.58 0.33 0.00 99.67 0.05 0.02 0.17 99.73 0.03 0.00 0.00 0.00 75 R H H 137.78 1.87 25.10 25.24 91.69 50.18 -64.04 -41.69 0.25 0.00 99.75 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 76 T H H 24.71 13.05 20.57 34.37 91.87 49.68 -64.38 -42.47 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 77 L H H 6.22 24.88 17.07 42.07 91.57 50.14 -63.60 -42.78 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 78 E H H 91.04 7.78 21.43 29.65 91.24 50.87 -62.90 -41.05 0.35 0.00 99.65 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 79 N H H 92.60 2.53 22.97 24.53 91.87 49.78 -65.48 -40.39 1.57 0.00 98.43 0.13 0.08 1.15 98.42 0.22 0.00 0.00 0.00 80 V H H 22.22 17.11 16.45 33.73 92.44 49.61 -66.12 -40.43 4.36 0.01 95.62 0.40 0.31 3.28 95.59 0.40 0.00 0.00 0.00 81 L H H 44.75 16.40 15.20 31.22 92.91 50.73 -70.07 -30.17 16.33 0.13 83.54 2.39 2.02 11.44 83.24 0.78 0.03 0.04 0.07 82 S C H 84.93 1.93 17.55 19.29 96.33 54.15 -84.89 -7.38 50.40 0.75 48.85 10.55 7.87 31.40 48.01 1.45 0.04 0.28 0.40 83 G C C 39.69 7.66 10.78 19.71 117.09 93.69 -81.93 160.73 80.66 1.79 17.56 34.01 23.27 22.98 15.77 2.34 0.01 0.74 0.88 84 K C C 155.40 2.05 13.12 16.40 113.69 -118.26 -90.41 133.49 92.45 2.51 5.04 83.99 2.11 6.51 3.88 0.91 0.00 1.27 1.34 85 A C C 68.79 7.82 11.27 20.29 111.31 -111.08 -73.42 137.07 99.94 0.05 0.01 99.89 0.05 0.03 0.01 0.00 0.00 0.02 0.00