# 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 92.81 8.49 13.63 23.03 111.75 -153.43 -88.37 121.72 99.80 0.12 0.08 99.79 0.06 0.04 0.05 0.00 0.00 0.05 0.02 1 L C C 91.89 5.67 13.19 20.10 107.27 -144.54 -79.89 111.97 64.10 1.71 34.19 59.92 0.88 4.37 31.01 2.32 0.00 0.81 0.69 2 F H H 94.00 9.75 12.32 22.73 97.26 79.67 -69.59 -35.41 40.04 1.42 58.55 22.78 5.86 12.57 52.20 5.26 0.02 0.75 0.55 3 F H H 89.53 9.97 12.85 23.49 95.11 57.13 -69.78 -32.44 20.41 0.63 78.96 10.72 3.12 7.38 70.15 8.01 0.03 0.37 0.23 4 S H H 56.04 4.02 15.59 20.56 93.88 59.71 -65.62 -38.56 9.12 0.31 90.57 4.34 1.35 3.75 79.63 10.64 0.02 0.20 0.08 5 F H H 72.88 9.31 15.98 26.47 93.08 53.33 -66.20 -40.73 6.20 0.18 93.62 1.99 0.82 3.35 84.30 9.33 0.03 0.11 0.05 6 F H H 36.73 19.07 13.53 32.04 92.67 53.09 -65.69 -38.77 5.20 0.10 94.70 1.68 0.73 2.77 86.45 8.25 0.02 0.05 0.04 7 K H H 113.38 7.00 17.98 26.05 91.77 57.29 -64.71 -32.28 7.00 0.10 92.90 1.25 0.65 4.52 80.94 12.52 0.03 0.05 0.04 8 T H H 78.72 4.46 20.08 24.84 92.27 57.88 -71.87 -23.21 19.60 0.08 80.32 1.05 0.98 16.88 69.65 11.31 0.05 0.04 0.04 9 L H H 22.63 18.57 14.47 33.17 97.25 48.33 -95.39 -7.15 47.64 0.38 51.97 3.79 2.52 40.49 42.17 10.57 0.05 0.19 0.22 10 V C T 44.17 15.53 13.94 29.75 112.80 116.21 -68.56 133.01 93.02 3.37 3.60 2.73 2.94 88.29 1.84 1.03 0.01 1.72 1.45 11 D C T 109.77 3.19 20.55 24.23 93.80 10.86 69.65 17.10 97.31 1.76 0.93 1.67 4.86 91.11 0.20 0.46 0.00 1.61 0.10 12 Q C S 75.12 8.91 17.41 27.50 127.36 110.13 -106.60 151.54 95.00 4.82 0.18 39.51 54.57 0.85 0.04 0.10 0.00 4.73 0.21 13 E E E 105.03 7.30 21.02 29.08 113.74 -113.63 -80.35 131.98 13.76 86.20 0.05 13.63 0.42 0.04 0.01 0.02 0.00 85.00 0.87 14 V E E 7.00 23.10 14.95 38.34 132.29 -172.42 -132.61 150.50 2.81 97.18 0.00 2.68 0.06 0.00 0.00 0.00 0.00 97.22 0.03 15 V E E 36.60 10.06 25.28 36.58 117.51 -137.56 -106.01 128.90 0.35 99.65 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 16 V E E 4.86 24.38 17.98 42.98 120.34 -165.68 -115.23 129.06 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 17 E E E 67.64 8.51 24.37 33.48 113.94 -153.40 -102.49 120.68 0.70 99.29 0.01 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 18 L E E 15.37 19.94 12.59 32.46 123.97 -159.06 -92.99 165.83 23.99 75.80 0.20 22.31 0.96 0.21 0.03 0.13 0.00 76.01 0.36 19 K C T 121.27 6.01 17.01 23.82 95.11 -96.42 -63.44 -23.85 74.05 10.28 15.68 3.19 8.13 62.92 0.39 16.07 0.00 8.64 0.66 20 N C T 94.99 5.13 15.42 21.63 95.20 46.71 -86.57 10.53 86.76 0.41 12.82 1.52 6.37 76.64 0.24 14.86 0.00 0.26 0.11 21 D C T 101.45 4.58 17.37 23.09 93.66 -101.47 69.66 23.12 87.94 1.20 10.85 7.45 27.62 50.76 0.22 12.87 0.00 0.84 0.24 22 I E E 32.28 14.67 14.30 30.21 117.63 142.79 -88.69 136.39 35.10 64.86 0.05 32.30 1.13 0.17 0.01 0.03 0.00 66.00 0.36 23 E E E 64.05 11.59 22.48 34.39 123.20 -162.64 -117.43 135.90 1.17 98.83 0.00 0.99 0.05 0.00 0.00 0.00 0.00 98.94 0.01 24 I E E 7.39 23.42 18.51 42.36 123.67 -167.40 -120.93 134.57 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 25 K E E 73.42 11.27 26.14 37.43 124.04 -166.45 -117.14 137.35 0.24 99.76 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 26 G E E 5.88 16.21 22.49 39.38 144.66 112.05 -171.92 -175.94 0.80 99.20 0.00 0.62 0.04 0.00 0.00 0.00 0.00 99.34 0.00 27 T E E 40.27 10.05 26.24 37.44 122.78 -71.77 -115.22 141.14 0.92 99.08 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.17 0.01 28 L E E 7.82 24.51 15.07 40.44 109.83 -115.97 -74.71 125.43 1.28 98.71 0.00 1.22 0.03 0.00 0.00 0.00 0.00 98.73 0.02 29 Q E E 84.08 6.73 23.52 30.87 100.28 176.01 -95.90 -31.16 2.82 97.16 0.01 1.94 0.55 0.04 0.00 0.01 0.00 97.46 0.02 30 S E E 42.97 6.06 25.20 32.18 143.12 -7.13 -160.60 157.43 1.17 98.82 0.01 0.82 0.18 0.02 0.00 0.00 0.00 98.96 0.01 31 V E E 33.29 22.31 12.00 33.06 130.61 -164.95 -139.43 140.69 1.86 98.12 0.02 1.73 0.13 0.01 0.01 0.00 0.00 97.53 0.59 32 D C C 55.41 6.11 19.82 26.52 129.09 -160.10 -110.49 175.43 87.13 12.82 0.05 86.80 0.42 0.09 0.01 0.02 0.00 12.23 0.43 33 Q C T 128.19 4.86 16.45 22.91 91.52 -89.88 -65.06 -22.14 99.45 0.08 0.47 0.23 4.90 94.38 0.02 0.40 0.00 0.05 0.03 34 F C T 112.78 6.12 18.36 25.20 95.27 51.66 -90.92 0.54 99.59 0.04 0.38 0.37 5.56 93.67 0.02 0.35 0.00 0.02 0.01 35 L C C 25.51 19.01 15.98 34.80 94.44 -109.85 69.41 25.93 97.67 1.59 0.74 47.48 39.25 10.96 0.12 0.67 0.00 1.01 0.51 36 N C C 38.09 10.81 22.93 34.83 114.15 157.15 -78.95 134.76 92.80 7.14 0.05 88.47 3.32 0.75 0.01 0.04 0.00 6.76 0.66 37 L E E 6.20 24.92 17.63 42.91 119.79 -155.17 -109.06 131.00 2.06 97.94 0.00 2.02 0.05 0.00 0.00 0.00 0.00 97.74 0.18 38 K E E 62.35 10.45 27.31 38.30 122.18 -166.86 -118.35 131.81 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.01 39 L E E 7.98 24.56 16.30 41.25 120.64 -162.40 -113.62 130.08 0.39 99.61 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 40 D E E 57.48 7.39 23.30 31.06 131.48 -174.80 -126.86 157.00 3.67 96.32 0.01 2.18 1.06 0.11 0.00 0.01 0.00 96.62 0.02 41 N E E 104.18 3.30 23.44 27.00 93.42 10.52 58.75 45.46 4.60 95.39 0.01 2.69 1.35 0.14 0.00 0.01 0.00 95.79 0.02 42 I E E 14.31 24.16 11.34 35.10 116.32 -173.00 -83.94 133.96 3.03 96.96 0.01 2.87 0.10 0.01 0.00 0.00 0.00 96.99 0.03 43 S E E 47.20 6.53 25.58 32.56 129.17 -174.75 -128.89 147.08 1.20 98.78 0.01 1.04 0.06 0.01 0.01 0.00 0.00 98.80 0.09 44 C E E 26.52 19.48 14.39 33.30 122.45 -150.96 -114.34 134.08 8.79 91.09 0.11 7.90 0.64 0.09 0.07 0.03 0.00 90.85 0.42 45 T C C 64.96 7.28 17.33 25.69 104.27 -166.71 -98.62 -14.42 67.43 31.78 0.79 46.66 18.30 2.43 0.21 0.57 0.00 30.72 1.11 46 D C C 74.86 5.18 15.73 21.91 106.63 18.48 -103.16 98.15 87.41 11.01 1.58 64.63 18.33 4.47 0.49 1.19 0.00 8.81 2.08 47 E C T 103.99 10.21 10.61 21.61 94.77 -168.93 -66.09 -26.47 87.15 1.03 11.82 9.80 17.00 60.15 2.05 9.81 0.01 0.54 0.64 48 K C T 162.35 0.96 14.52 14.77 93.25 60.97 -70.11 -30.33 88.77 0.45 10.79 4.45 14.97 69.09 1.58 9.32 0.00 0.23 0.34 49 K C T 122.12 3.84 13.93 18.76 97.73 43.15 -84.17 -27.39 86.60 1.66 11.74 9.91 21.60 55.04 1.88 9.73 0.02 0.90 0.92 50 Y C C 55.69 14.45 9.47 23.84 109.50 33.09 -126.67 75.49 94.17 3.39 2.44 61.92 28.71 3.42 0.96 1.48 0.00 1.45 2.06 51 P C T 81.42 4.52 15.64 21.72 94.20 168.43 -64.57 -28.35 68.14 1.27 30.59 13.60 8.24 45.83 3.57 27.44 0.00 0.79 0.53 52 H C T 104.29 6.75 16.79 24.39 94.46 58.92 -76.03 -14.04 62.29 2.68 35.03 10.26 9.32 42.68 5.17 29.74 0.03 1.77 1.02 53 L C G 35.29 18.29 12.68 30.16 95.32 66.42 -75.45 -18.31 51.35 7.52 41.14 29.81 9.21 13.29 5.29 35.36 0.02 5.26 1.76 54 G C C 36.37 9.62 16.57 26.84 94.75 75.33 -68.10 -23.09 60.51 11.24 28.25 26.14 12.35 23.86 3.82 23.43 0.04 8.58 1.78 55 S C C 69.55 4.97 19.37 24.79 96.63 59.55 -87.58 -5.91 57.21 16.90 25.89 23.55 13.80 21.95 2.53 22.46 0.06 13.96 1.68 56 V C C 36.38 18.03 11.51 29.20 114.84 96.74 -88.41 127.15 61.32 36.67 2.01 54.12 5.69 1.02 0.64 1.46 0.00 35.09 1.99 57 R C S 142.20 4.62 20.01 25.63 101.86 -171.50 -89.94 -32.46 64.95 34.78 0.27 27.60 35.60 1.17 0.06 0.17 0.00 34.99 0.41 58 N E E 78.12 8.62 19.95 29.13 126.56 9.54 -143.87 134.17 10.95 88.86 0.20 7.98 2.60 0.44 0.03 0.13 0.00 88.61 0.20 59 I E E 24.76 20.60 15.85 36.20 124.05 -171.17 -125.29 130.63 1.27 98.72 0.01 1.17 0.05 0.00 0.00 0.00 0.00 98.72 0.05 60 F E E 88.11 9.62 24.71 34.50 116.77 -155.79 -105.94 126.61 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.68 0.02 61 I E E 10.87 23.42 16.07 39.57 125.36 -173.77 -123.82 137.01 1.93 98.07 0.00 1.98 0.04 0.00 0.00 0.00 0.00 97.84 0.14 62 R C C 103.81 6.39 24.39 30.74 115.25 -122.17 -75.81 140.61 59.09 40.86 0.06 58.71 0.55 0.04 0.01 0.04 0.00 40.32 0.33 63 G H G 18.33 19.31 13.53 32.36 91.83 -121.15 -58.81 -34.58 12.58 0.25 87.17 0.49 1.16 8.66 0.32 89.20 0.00 0.17 0.01 64 S H G 78.67 3.32 21.68 25.64 90.44 64.09 -70.20 -17.02 11.81 0.12 88.06 0.21 0.67 9.18 0.27 89.58 0.00 0.07 0.01 65 T H G 46.35 12.32 17.93 30.89 95.72 54.34 -93.88 -7.96 12.58 0.32 87.11 0.80 1.20 8.65 0.36 88.72 0.00 0.24 0.02 66 V E E 12.17 24.17 11.17 34.95 113.49 92.94 -85.91 122.24 13.44 86.51 0.05 13.04 0.62 0.03 0.02 0.03 0.00 85.55 0.72 67 R E E 121.34 5.26 21.65 27.79 100.33 177.02 -94.05 -33.74 10.89 89.10 0.01 6.61 4.10 0.06 0.00 0.01 0.00 89.16 0.06 68 Y E E 98.76 7.25 22.77 30.90 139.10 2.67 -154.56 149.38 0.66 99.33 0.01 0.55 0.05 0.01 0.00 0.00 0.00 99.38 0.01 69 V E E 28.90 22.04 14.90 36.19 123.66 -162.34 -128.54 128.00 0.34 99.66 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.64 0.02 70 Y E E 103.94 8.08 23.53 32.04 122.43 -169.96 -123.25 129.59 3.38 96.61 0.00 3.05 0.16 0.01 0.00 0.00 0.00 96.68 0.10 71 L E E 31.57 19.82 12.58 31.68 125.58 -168.50 -117.37 141.29 49.54 50.44 0.01 45.86 2.58 0.04 0.00 0.01 0.00 51.28 0.22 72 N C C 71.49 4.91 18.95 24.49 111.98 -108.42 -69.39 140.24 88.32 11.54 0.14 87.44 1.24 0.18 0.03 0.07 0.00 10.28 0.76 73 K H G 121.38 9.58 11.66 22.16 92.44 -124.85 -60.13 -32.08 36.43 0.27 63.31 1.87 3.59 28.71 2.14 63.46 0.00 0.16 0.07 74 N H G 137.19 0.67 16.72 15.49 91.49 60.87 -73.75 -12.09 37.01 0.12 62.87 0.97 2.52 31.17 1.88 63.35 0.00 0.07 0.03 75 M H G 85.54 8.91 13.94 23.91 97.88 55.60 -95.90 -6.13 35.32 0.34 64.33 3.23 5.00 25.25 2.51 63.71 0.00 0.19 0.11 76 V C S 25.74 20.31 9.47 28.53 121.16 85.59 -105.42 136.20 93.68 3.28 3.03 42.52 49.70 1.33 2.24 0.60 0.00 0.66 2.94 77 D C C 69.42 6.12 18.09 25.36 107.41 -137.69 -90.68 108.28 96.84 1.47 1.69 94.81 1.62 0.69 1.37 0.21 0.00 0.50 0.79 78 T H H 67.92 10.09 13.86 25.04 94.84 -172.75 -69.04 -32.08 7.57 0.05 92.38 3.81 1.28 2.25 92.15 0.47 0.00 0.01 0.02 79 N H H 109.10 1.61 19.18 19.86 91.81 57.79 -63.97 -40.07 2.17 0.01 97.81 0.49 0.25 1.21 97.70 0.34 0.00 0.00 0.00 80 L H H 52.38 9.21 16.71 27.19 92.18 49.68 -65.57 -41.37 0.94 0.01 99.04 0.32 0.10 0.44 98.84 0.29 0.00 0.01 0.00 81 L H H 27.63 16.82 14.61 31.58 92.08 50.50 -64.06 -42.32 0.42 0.01 99.57 0.14 0.04 0.17 99.55 0.10 0.00 0.00 0.00 82 Q H H 91.83 4.14 20.23 24.63 91.57 50.01 -63.77 -41.67 0.44 0.00 99.56 0.12 0.03 0.19 99.62 0.04 0.00 0.00 0.00 83 D H H 74.83 3.01 21.01 23.48 91.82 49.45 -64.57 -41.58 0.57 0.00 99.42 0.12 0.04 0.28 99.53 0.04 0.00 0.00 0.00 84 A H H 16.67 12.35 16.46 30.55 91.69 50.87 -64.02 -41.67 0.79 0.00 99.20 0.16 0.06 0.41 99.33 0.04 0.00 0.00 0.00 85 T H H 42.84 9.59 17.89 28.67 92.04 50.72 -64.21 -41.46 1.09 0.00 98.91 0.27 0.08 0.52 99.06 0.05 0.00 0.00 0.00 86 R H H 132.17 2.49 19.85 21.89 91.88 50.10 -64.15 -41.08 0.91 0.00 99.08 0.25 0.07 0.42 99.19 0.06 0.00 0.00 0.00 87 R H H 116.12 3.98 18.12 22.59 92.16 50.12 -65.22 -41.12 0.86 0.00 99.14 0.24 0.07 0.40 99.22 0.08 0.00 0.00 0.00 88 E H H 70.02 7.41 15.18 24.19 92.20 50.16 -64.81 -40.91 1.34 0.01 98.66 0.38 0.11 0.65 98.73 0.13 0.00 0.00 0.00 89 V H H 67.64 3.84 14.74 19.86 92.03 50.15 -64.55 -41.01 2.51 0.02 97.47 0.69 0.21 1.31 97.51 0.26 0.00 0.01 0.00 90 M H H 103.29 1.99 14.07 16.25 92.33 49.93 -65.67 -39.41 5.29 0.03 94.68 1.36 0.54 2.94 94.65 0.49 0.00 0.01 0.01 91 T H H 79.29 2.94 11.73 15.92 93.42 50.29 -69.05 -35.16 13.33 0.06 86.61 2.92 1.41 8.15 86.63 0.84 0.01 0.02 0.03 92 E H H 127.91 2.43 10.39 14.09 94.10 54.24 -70.44 -29.13 29.83 0.14 70.03 7.06 3.62 17.80 70.31 1.07 0.01 0.05 0.08 93 R C H 170.57 1.52 9.89 12.28 97.48 59.14 -78.24 -14.36 59.18 0.24 40.58 30.39 1.83 23.70 42.81 1.03 0.00 0.08 0.15 94 K C C 148.02 2.31 11.06 14.71 102.62 76.55 -78.28 16.15 99.91 0.01 0.07 99.73 0.07 0.14 0.06 0.00 0.00 0.00 0.00