# 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 C C C 60.29 10.79 12.85 24.23 115.54 -150.03 -93.78 133.64 99.57 0.41 0.02 99.54 0.14 0.04 0.01 0.00 0.00 0.22 0.05 1 V C C 97.01 5.11 11.62 18.31 112.06 -155.66 -95.39 120.51 84.31 12.29 3.40 79.31 2.23 2.82 1.39 1.46 0.00 8.73 4.06 2 R C C 150.69 4.02 11.38 17.24 115.63 -149.84 -98.69 130.56 79.96 15.15 4.88 55.91 18.20 5.70 1.47 3.39 0.00 13.30 2.02 3 E C C 117.03 6.41 12.09 20.13 115.36 -145.48 -96.11 129.68 69.54 25.13 5.33 54.16 10.36 4.40 1.63 3.52 0.00 23.60 2.32 4 V C C 78.92 7.61 14.62 23.56 121.88 -161.46 -112.48 136.76 57.56 39.62 2.82 48.46 6.11 1.91 1.33 1.68 0.00 34.45 6.06 5 C C C 42.50 16.01 11.22 26.88 119.61 -150.65 -102.21 137.34 60.85 38.24 0.91 53.83 5.22 1.13 0.39 0.54 0.00 35.54 3.35 6 R C C 145.27 3.75 20.41 25.09 125.32 -165.63 -121.50 142.99 56.95 42.57 0.48 49.23 6.06 0.90 0.22 0.30 0.00 38.10 5.19 7 W C C 110.62 15.01 12.97 27.38 116.59 -111.95 -80.89 143.44 65.69 33.78 0.53 58.01 5.60 0.79 0.26 0.32 0.00 27.75 7.26 8 S C C 32.65 12.47 13.04 26.36 121.19 -123.30 -83.45 158.89 84.88 14.65 0.47 79.66 4.25 0.78 0.16 0.30 0.00 11.59 3.27 9 S C S 89.82 2.12 18.98 21.20 94.29 -111.10 -73.88 -18.52 90.63 8.68 0.69 24.28 55.88 10.48 0.10 0.64 0.00 7.72 0.91 10 W C C 105.89 12.08 16.70 28.77 108.35 50.00 -89.35 93.91 77.88 21.23 0.88 44.52 24.66 9.40 0.14 0.85 0.00 18.57 1.85 11 Y E E 45.11 18.54 15.28 33.51 124.35 84.00 -113.74 136.30 36.54 63.11 0.35 31.02 3.61 0.34 0.20 0.19 0.00 39.61 25.02 12 N C C 53.07 10.97 21.30 32.80 111.80 -152.37 -104.09 113.51 59.50 40.31 0.19 57.62 1.33 0.24 0.07 0.10 0.00 32.51 8.13 13 G C T 15.98 18.86 16.34 35.11 95.22 -170.27 -86.23 -7.63 92.71 6.56 0.74 22.81 31.80 38.68 0.09 0.72 0.00 4.85 1.04 14 H C S 98.79 8.81 20.50 29.73 95.46 67.87 -87.64 -5.49 93.65 5.75 0.60 11.82 49.44 32.93 0.06 0.58 0.00 3.94 1.23 15 R C C 104.01 9.64 19.02 29.16 114.71 77.19 -103.03 120.97 96.26 3.61 0.13 53.83 42.38 0.61 0.03 0.09 0.00 1.62 1.44 16 P C C 46.72 15.62 12.65 27.93 114.23 -120.19 -69.14 148.16 94.09 5.28 0.63 81.97 9.28 1.99 0.18 0.43 0.00 1.94 4.21 17 E C C 105.68 5.54 15.66 22.43 119.10 -121.90 -93.60 141.54 88.78 10.41 0.81 69.05 15.48 2.29 0.23 0.58 0.00 2.29 10.07 18 P C T 105.15 3.76 12.55 18.01 109.81 -93.39 -62.71 138.42 89.60 1.95 8.45 7.41 13.89 66.79 0.79 8.99 0.00 1.15 0.98 19 G C T 65.06 0.81 13.73 13.45 99.11 21.95 81.69 -4.62 90.16 1.02 8.81 8.38 14.85 65.60 0.91 9.08 0.00 0.60 0.56 20 L C T 92.24 6.89 9.72 18.03 107.29 82.96 -95.99 33.43 82.13 5.90 11.97 25.41 27.67 28.43 1.43 10.47 0.01 2.26 4.31 21 G C C 53.39 3.26 14.34 18.80 106.08 -117.25 76.17 14.52 90.29 4.40 5.31 33.77 23.43 32.89 0.76 4.74 0.00 2.08 2.33 22 G C C 42.01 7.36 14.85 23.01 113.48 -0.18 -23.84 159.70 90.31 5.94 3.75 40.08 29.92 20.21 0.53 3.47 0.00 2.73 3.05 23 G C C 29.68 10.37 15.68 26.63 121.87 133.70 102.90 -176.32 90.40 8.41 1.19 54.23 29.27 7.05 0.22 1.13 0.00 4.20 3.90 24 D C C 60.90 11.83 19.60 31.32 114.22 -85.24 -97.19 129.67 84.99 14.49 0.52 64.45 18.07 2.41 0.13 0.51 0.00 10.00 4.44 25 F C C 49.82 17.51 18.60 35.47 122.41 -158.56 -110.93 140.07 56.81 42.95 0.24 49.49 6.09 0.53 0.11 0.17 0.00 26.54 17.07 26 E C C 26.97 18.01 20.71 38.61 121.82 -154.54 -104.18 142.42 52.54 47.26 0.19 51.46 1.83 0.16 0.13 0.08 0.00 26.69 19.65 27 T C C 23.57 12.39 24.36 37.34 126.02 -138.95 -92.68 164.80 88.40 11.13 0.47 88.79 1.54 0.14 0.42 0.07 0.00 5.26 3.79 28 F H H 27.92 21.54 16.52 37.90 91.44 -106.31 -59.65 -37.66 1.98 0.03 97.99 0.60 0.36 1.04 97.42 0.55 0.00 0.02 0.01 29 E H H 110.78 3.06 23.42 26.08 91.39 54.82 -63.11 -41.14 0.67 0.03 99.29 0.10 0.09 0.46 98.76 0.56 0.00 0.02 0.00 30 N H H 47.28 7.85 19.80 28.98 91.98 49.48 -65.42 -40.13 0.50 0.06 99.44 0.10 0.06 0.33 98.58 0.86 0.00 0.06 0.00 31 L H H 3.48 24.61 12.41 37.30 91.56 50.50 -63.99 -42.81 0.70 0.09 99.21 0.13 0.08 0.50 98.32 0.87 0.01 0.08 0.01 32 R H H 107.45 10.65 16.03 27.09 91.63 51.14 -63.25 -39.76 2.05 0.06 97.89 0.26 0.14 1.74 96.77 1.01 0.02 0.04 0.02 33 Q H H 142.14 1.12 17.69 17.87 90.28 55.72 -65.59 -26.33 15.20 0.04 84.76 0.32 0.40 15.25 83.01 0.94 0.03 0.01 0.03 34 R C T 117.28 7.37 14.02 22.80 93.65 53.16 -89.14 0.98 86.84 0.04 13.13 0.28 0.89 85.14 13.06 0.59 0.00 0.01 0.02 35 G C T 52.07 2.12 19.45 21.19 98.51 -98.20 91.71 8.77 99.79 0.02 0.18 1.10 1.20 97.60 0.07 0.03 0.00 0.01 0.00 36 Y C C 36.76 20.32 10.56 30.03 119.13 139.18 -85.78 143.81 96.54 3.42 0.04 95.24 1.72 0.11 0.01 0.02 0.00 2.37 0.53 37 Q C C 104.46 5.15 24.94 30.65 111.24 -126.77 -87.09 126.44 82.60 17.33 0.07 81.17 1.67 0.20 0.02 0.05 0.00 15.12 1.79 38 V E C 24.70 22.94 15.49 37.56 125.73 -167.49 -112.38 143.55 45.27 54.62 0.12 43.76 1.85 0.12 0.07 0.06 0.00 24.85 29.29 39 C C C 12.73 19.15 16.50 36.27 111.02 -113.15 -81.37 125.73 87.02 12.87 0.11 86.06 1.50 0.16 0.03 0.07 0.00 9.97 2.21 40 P C S 85.33 6.36 21.36 28.73 93.94 -149.47 -70.35 -25.20 94.66 5.12 0.22 9.99 75.08 9.47 0.02 0.21 0.00 4.75 0.48 41 V C S 83.68 5.39 22.49 28.47 118.62 36.66 -122.67 118.04 92.39 7.42 0.19 13.16 70.52 8.36 0.02 0.18 0.00 7.20 0.56 42 L C C 23.89 23.10 10.88 33.11 112.97 -132.80 -75.50 131.83 74.91 24.66 0.43 74.29 1.25 0.25 0.06 0.33 0.00 21.52 2.30 43 A C C 60.14 5.49 21.37 27.30 102.07 -175.18 -94.11 -31.88 58.10 41.58 0.32 39.17 18.97 1.35 0.02 0.38 0.00 38.32 1.78 44 D E E 86.76 4.34 23.25 27.93 130.12 4.56 -146.16 138.30 27.25 72.45 0.31 21.29 5.11 0.84 0.02 0.31 0.00 71.76 0.66 45 I E E 20.82 23.74 12.92 36.16 122.44 -165.88 -124.43 129.53 10.30 89.68 0.03 10.14 0.33 0.02 0.01 0.01 0.00 88.89 0.60 46 E E E 84.26 7.30 26.17 33.75 123.90 -171.84 -119.21 138.56 6.76 93.22 0.01 6.56 0.28 0.02 0.01 0.01 0.00 92.13 1.00 47 C E E 13.76 23.72 15.10 38.33 132.77 -174.68 -136.55 149.10 21.07 78.90 0.03 19.67 0.97 0.06 0.00 0.02 0.00 78.76 0.52 48 R E E 103.59 7.36 25.87 33.78 130.09 -166.38 -131.92 145.69 27.18 72.70 0.11 25.31 1.56 0.12 0.06 0.07 0.00 68.55 4.33 49 A C C 17.64 21.29 13.40 34.23 113.67 -119.99 -82.48 133.74 50.34 49.10 0.56 48.78 1.50 0.37 0.19 0.37 0.00 38.99 9.80 50 A C S 59.48 6.52 20.12 27.27 99.41 -164.06 -83.69 -32.52 91.06 8.52 0.42 21.49 59.88 9.59 0.04 0.49 0.00 7.55 0.97 51 Q C S 109.57 3.52 20.98 24.90 128.34 6.40 -139.33 145.32 93.54 5.89 0.57 22.95 60.93 9.96 0.14 0.49 0.00 3.55 1.98 52 L C C 47.61 16.76 12.23 28.44 109.63 -137.33 -103.33 106.16 98.46 1.38 0.16 92.30 5.68 0.51 0.04 0.11 0.00 0.67 0.69 53 P C T 55.85 10.83 14.00 25.90 101.21 -144.99 -68.05 -5.05 99.43 0.35 0.22 7.89 8.29 83.28 0.03 0.18 0.00 0.22 0.11 54 D C T 124.95 1.35 17.79 18.48 98.03 19.08 -90.70 7.19 99.49 0.34 0.17 2.79 10.73 85.99 0.01 0.17 0.00 0.26 0.06 55 M C S 56.06 10.84 12.03 24.51 121.11 93.44 -106.18 136.81 97.84 2.08 0.08 20.86 77.23 0.30 0.02 0.04 0.00 0.84 0.71 56 P C C 60.94 4.35 19.46 24.35 114.56 -107.46 -66.62 148.85 75.24 24.30 0.46 73.09 0.82 0.08 0.36 0.06 0.00 3.28 22.30 57 L H H 35.01 20.20 10.28 29.55 91.94 -116.48 -58.64 -36.81 14.87 0.21 84.93 2.27 1.60 9.81 50.15 35.95 0.03 0.12 0.08 58 E H H 144.03 1.88 17.22 19.67 91.10 58.59 -63.65 -35.18 8.58 0.11 91.31 0.77 0.64 6.23 51.44 40.79 0.01 0.08 0.02 59 E H H 124.82 2.95 17.14 20.66 92.12 53.88 -69.06 -28.90 8.22 0.08 91.69 0.63 0.68 5.97 49.92 42.71 0.02 0.05 0.02 60 L H H 27.39 18.09 11.77 29.64 94.33 50.43 -87.12 -10.09 29.46 0.27 70.27 2.47 3.88 21.61 45.89 25.66 0.16 0.12 0.22 61 G C T 50.81 2.54 21.80 24.00 95.13 -118.71 74.38 22.11 99.35 0.09 0.56 16.27 4.32 78.89 0.19 0.25 0.00 0.06 0.03 62 Q C C 31.58 20.23 10.76 29.93 123.74 139.71 -103.38 145.94 95.67 3.76 0.57 79.42 13.43 2.85 0.14 0.47 0.00 3.00 0.67 63 Q C C 111.62 3.69 24.19 28.17 116.12 -142.95 -107.19 125.02 56.96 42.68 0.36 53.08 3.13 0.57 0.11 0.23 0.00 41.25 1.62 64 V E E 22.72 23.76 12.26 35.20 122.67 -167.14 -116.55 131.80 24.37 75.56 0.07 24.22 0.55 0.05 0.02 0.03 0.00 74.27 0.86 65 D E E 80.37 4.03 25.69 29.86 122.42 -169.86 -122.83 132.39 9.97 89.96 0.07 9.81 0.45 0.06 0.04 0.03 0.00 88.61 1.00 66 C E E 32.28 21.74 12.33 32.72 123.05 -159.29 -116.97 133.51 18.67 81.23 0.10 16.35 2.01 0.18 0.04 0.06 0.00 80.35 1.01 67 D E E 61.50 5.63 21.03 27.12 123.43 -166.74 -129.46 135.00 35.36 64.54 0.11 32.71 1.97 0.19 0.04 0.07 0.00 60.92 4.09 68 R C T 133.04 11.14 13.83 25.46 91.93 -129.57 -65.40 -25.11 98.27 0.71 1.02 0.40 6.30 91.78 0.03 0.89 0.00 0.47 0.12 69 M C T 137.69 1.69 18.39 19.79 98.23 46.68 -81.28 -36.32 98.95 0.14 0.91 0.42 5.90 92.71 0.02 0.82 0.00 0.08 0.04 70 R C T 119.12 6.71 18.15 25.39 101.82 25.39 -106.95 -13.75 98.34 0.74 0.93 1.16 6.28 91.04 0.04 0.85 0.00 0.52 0.10 71 G E E 5.54 16.69 19.81 37.24 126.54 -130.19 86.57 -165.55 26.50 73.25 0.25 16.30 5.39 5.28 0.05 0.22 0.00 71.21 1.55 72 L E E 5.98 24.30 19.04 44.10 115.79 -27.67 -90.70 132.92 10.02 89.90 0.09 7.92 1.90 0.31 0.02 0.06 0.00 88.96 0.82 73 M E E 43.20 13.53 26.49 40.27 128.20 -170.85 -125.08 143.61 4.82 95.15 0.03 4.26 0.51 0.05 0.01 0.02 0.00 93.81 1.35 74 C E E 10.01 22.11 17.23 39.51 117.58 -138.84 -96.46 131.92 23.16 76.77 0.07 21.17 1.51 0.13 0.03 0.04 0.00 74.49 2.62 75 A C C 44.03 9.60 21.73 31.83 106.49 -149.31 -89.18 86.40 72.41 27.43 0.17 62.53 8.04 0.69 0.04 0.16 0.00 24.99 3.54 76 N C C 48.26 13.26 14.23 27.75 115.78 66.53 -103.07 135.91 82.72 14.82 2.46 58.22 18.41 5.15 0.53 2.38 0.00 8.24 7.06 77 S C T 84.64 3.94 15.51 20.54 95.85 -134.84 -73.52 -14.70 95.64 1.32 3.03 3.34 14.69 77.03 0.16 3.49 0.00 0.84 0.45 78 Q C T 127.65 2.75 15.64 19.06 96.69 55.73 -90.97 1.64 95.98 1.16 2.86 6.82 12.88 75.47 0.17 3.51 0.00 0.81 0.34 79 Q C C 49.89 15.63 8.82 23.93 120.34 96.89 -95.20 142.59 91.71 6.78 1.50 56.72 31.64 2.84 0.41 1.10 0.00 2.36 4.93 80 S C C 78.76 2.73 16.88 20.37 118.32 -124.93 -91.81 145.38 94.69 4.89 0.42 68.93 22.42 3.08 0.10 0.38 0.00 2.01 3.08 81 P C S 83.85 4.70 15.87 21.62 114.87 -27.24 -70.08 150.63 95.67 1.44 2.89 18.67 38.63 38.25 0.32 2.82 0.00 0.84 0.48 82 P C C 70.19 8.30 16.64 25.65 109.54 19.20 -71.00 139.61 92.54 4.00 3.46 39.97 22.09 30.43 0.45 3.37 0.00 2.63 1.07 83 L C C 58.81 12.37 18.43 31.10 115.78 -152.30 -91.41 141.72 70.00 26.50 3.50 49.46 12.53 6.41 1.03 2.82 0.02 14.20 13.52 84 C C C 14.11 21.14 15.26 36.06 112.47 -123.05 -94.25 122.83 70.95 27.22 1.84 61.41 5.79 2.65 0.59 1.39 0.00 17.63 10.55 85 H C S 84.20 9.88 22.53 32.58 100.49 -167.39 -91.63 -16.69 72.45 25.85 1.70 26.31 32.67 15.59 0.25 1.61 0.02 20.12 3.43 86 D C S 62.72 9.35 22.59 32.30 105.41 42.82 -109.29 55.49 71.40 27.33 1.27 18.74 37.17 16.46 0.11 1.24 0.00 24.93 1.35 87 Y E E 24.65 22.32 15.37 37.13 124.91 131.47 -111.47 144.20 40.04 59.71 0.25 33.59 5.60 0.58 0.06 0.21 0.00 58.51 1.45 88 E E E 73.83 10.41 25.48 36.05 126.05 -163.05 -124.35 139.04 12.25 87.71 0.04 11.60 0.65 0.05 0.02 0.03 0.00 86.47 1.19 89 L E E 14.90 23.70 17.55 41.07 120.33 -155.02 -109.24 131.55 7.48 92.51 0.01 7.22 0.22 0.01 0.00 0.00 0.00 92.32 0.23 90 R E E 82.67 11.15 25.27 36.30 123.92 -168.74 -117.48 135.99 3.83 96.17 0.00 3.59 0.15 0.01 0.00 0.00 0.00 96.13 0.12 91 V E E 16.90 22.41 18.43 40.39 121.86 -163.73 -114.57 130.24 3.92 96.08 0.01 3.71 0.19 0.01 0.00 0.00 0.00 95.74 0.34 92 L E E 53.35 11.66 24.03 35.86 117.55 -158.20 -102.24 131.92 13.28 86.70 0.03 12.63 0.56 0.04 0.01 0.02 0.00 85.82 0.92 93 C E E 24.49 18.97 17.15 35.66 119.64 -154.64 -101.14 138.78 40.05 59.84 0.11 37.16 2.02 0.20 0.03 0.08 0.00 58.94 1.58 94 C C C 38.19 14.07 16.80 30.96 120.08 -143.70 -96.58 154.62 57.87 41.94 0.19 45.58 11.23 0.90 0.03 0.20 0.00 40.75 1.31 95 E E E 114.84 4.54 21.03 26.01 117.23 -93.83 -97.09 139.85 47.68 52.16 0.16 37.13 9.79 0.81 0.03 0.17 0.00 51.04 1.03 96 Y E E 107.55 13.66 12.41 25.99 115.59 -121.97 -85.16 132.83 40.76 59.13 0.11 36.92 2.91 0.26 0.03 0.10 0.00 58.16 1.62 97 V E E 69.32 7.23 13.90 22.97 120.58 -167.01 -116.50 133.15 26.29 73.66 0.04 23.94 1.82 0.09 0.02 0.03 0.00 70.93 3.17 98 P E E 98.65 3.33 14.15 19.01 112.47 -107.66 -66.17 143.12 37.07 62.83 0.10 35.71 1.10 0.23 0.03 0.06 0.00 60.23 2.63 99 C C C 62.12 13.15 11.26 23.91 108.98 -125.52 -84.59 118.64 99.83 0.16 0.01 99.59 0.17 0.12 0.00 0.00 0.00 0.11 0.01