# 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 65.00 8.09 13.05 22.04 114.90 -166.74 -94.07 138.33 99.90 0.10 0.01 99.87 0.05 0.02 0.00 0.00 0.00 0.05 0.00 1 S C C 70.89 4.85 13.32 19.72 116.99 -145.94 -101.78 132.47 77.25 21.24 1.51 74.06 1.45 1.46 0.54 0.64 0.00 20.51 1.34 2 L C C 98.76 7.42 12.24 21.11 114.70 -145.07 -94.43 128.46 55.80 42.20 2.00 46.42 6.72 2.08 0.81 1.07 0.00 41.41 1.50 3 K E E 91.33 11.38 13.14 25.07 121.17 -169.33 -110.65 136.80 41.75 56.68 1.58 36.27 3.76 1.13 0.55 0.79 0.00 56.62 0.88 4 S E E 57.12 6.90 18.94 26.64 125.08 -146.96 -114.36 145.08 31.92 66.79 1.29 27.76 2.78 0.75 0.45 0.60 0.00 66.96 0.70 5 I E E 59.03 16.99 13.32 29.79 126.77 -166.27 -123.70 138.54 23.15 75.81 1.04 20.91 1.52 0.36 0.45 0.40 0.00 75.82 0.54 6 I E E 80.79 7.68 19.55 28.19 123.48 -165.22 -120.45 135.46 12.37 86.72 0.91 11.54 0.77 0.26 0.43 0.36 0.00 85.86 0.78 7 R E E 117.98 10.41 16.29 27.29 114.73 -125.85 -83.73 132.59 19.31 79.70 0.99 18.13 1.02 0.34 0.49 0.42 0.00 77.97 1.63 8 Q C C 60.43 14.05 12.06 26.17 111.72 -144.55 -87.68 127.80 70.71 27.18 2.11 64.26 3.75 1.47 0.76 1.17 0.00 27.32 1.26 9 G C C 47.46 4.02 15.80 20.70 113.10 -137.92 -79.07 -85.37 88.54 7.06 4.40 49.93 28.25 10.64 1.52 2.82 0.00 5.86 0.97 10 K C C 147.61 3.20 14.00 18.51 109.52 -50.51 -89.43 98.24 87.40 3.93 8.67 39.21 33.08 15.85 3.50 4.75 0.01 2.26 1.33 11 Q C C 101.09 7.40 11.92 20.64 115.16 124.11 -93.78 134.35 86.45 2.60 10.95 45.10 29.95 11.83 6.23 4.45 0.00 1.28 1.16 12 T C C 78.29 6.11 13.50 20.92 112.55 -134.36 -89.03 134.06 84.13 1.71 14.16 51.97 19.79 12.25 9.95 4.37 0.00 0.79 0.88 13 R C C 126.61 8.43 12.47 21.78 102.38 -150.30 -77.61 -9.05 64.39 0.93 34.68 38.23 16.24 9.41 31.47 3.80 0.01 0.35 0.50 14 S H H 67.39 2.99 16.33 19.55 97.04 73.85 -68.05 -40.28 33.83 0.46 65.70 14.94 9.27 10.75 60.08 4.51 0.03 0.20 0.22 15 D H H 72.47 6.71 18.02 25.34 94.59 49.86 -68.70 -37.04 20.63 0.40 78.97 9.36 4.29 7.95 74.11 3.89 0.03 0.20 0.17 16 L H H 18.31 20.31 13.05 32.71 92.87 52.58 -65.90 -40.27 12.22 0.29 87.48 6.79 2.19 4.12 83.73 2.90 0.01 0.16 0.10 17 K H H 96.43 6.16 19.03 25.97 91.89 53.21 -63.53 -40.92 7.15 0.23 92.61 4.22 1.43 2.34 90.16 1.64 0.01 0.12 0.08 18 Q H H 97.56 2.27 21.13 22.19 92.04 50.61 -64.46 -41.33 5.59 0.35 94.06 2.94 1.10 2.15 91.89 1.58 0.02 0.22 0.10 19 L H H 20.49 15.44 14.91 31.23 92.42 50.20 -65.15 -42.02 4.75 0.54 94.70 2.44 0.84 2.02 92.24 1.94 0.02 0.38 0.12 20 R H H 76.60 15.60 14.16 29.20 92.04 51.84 -63.40 -40.88 4.45 0.46 95.09 1.65 0.59 2.35 91.87 3.05 0.02 0.36 0.10 21 K H H 159.74 1.29 18.08 18.77 91.18 53.02 -66.56 -27.06 14.40 0.73 84.87 1.74 1.25 11.57 81.01 3.57 0.15 0.50 0.22 22 S C T 71.36 3.03 17.29 20.58 92.56 53.53 -86.12 -3.92 80.17 0.09 19.75 0.76 1.76 77.42 18.00 1.96 0.00 0.04 0.06 23 G C T 29.85 9.93 15.84 26.90 96.43 -106.32 85.47 8.62 99.65 0.22 0.13 1.94 3.26 94.54 0.03 0.05 0.00 0.16 0.02 24 K C C 74.29 11.27 20.23 31.82 126.30 125.35 -103.31 150.98 53.58 46.41 0.01 50.00 2.39 0.08 0.00 0.01 0.00 46.66 0.86 25 V E E 10.49 22.49 18.77 41.44 115.93 -135.49 -103.31 125.11 6.71 93.28 0.00 6.61 0.15 0.00 0.00 0.00 0.00 93.07 0.16 26 P E E 29.25 13.92 25.37 39.71 115.49 -124.12 -70.76 143.78 3.29 96.71 0.00 3.23 0.06 0.00 0.00 0.00 0.00 96.66 0.05 27 A E E 4.91 23.76 18.87 42.47 138.00 169.14 -143.32 159.19 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 28 V E E 36.56 12.25 25.47 38.38 118.65 -129.55 -108.74 129.60 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 29 V E E 10.32 21.96 18.57 40.73 118.48 -160.77 -108.50 127.13 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 30 Y E E 80.70 10.44 20.64 31.66 123.55 -172.68 -119.70 138.36 7.46 92.52 0.02 6.35 0.60 0.05 0.01 0.01 0.00 92.84 0.14 31 G C C 20.66 11.07 15.38 27.42 137.76 135.53 151.47 172.97 67.22 32.64 0.14 52.83 12.42 0.94 0.02 0.15 0.00 32.61 1.03 32 Y C T 168.20 3.65 13.40 18.52 108.16 -51.87 -64.32 126.64 95.46 3.00 1.54 4.50 27.99 63.14 0.10 1.53 0.00 2.12 0.61 33 G C T 68.19 0.44 14.04 12.36 96.44 6.46 80.72 -0.64 97.93 0.80 1.27 4.01 28.21 65.63 0.06 1.36 0.00 0.54 0.19 34 T C S 67.87 6.92 9.68 18.46 128.02 91.84 -121.34 155.71 85.37 13.23 1.39 26.26 52.92 6.64 0.24 1.21 0.00 9.75 2.98 35 K C C 151.61 1.68 16.79 18.38 114.79 -100.47 -76.43 141.42 80.86 18.73 0.40 66.89 10.91 1.78 0.08 0.35 0.00 19.17 0.81 36 N C C 78.98 13.83 11.52 24.89 115.38 -110.06 -78.75 137.82 65.47 34.32 0.22 56.52 6.32 0.90 0.03 0.19 0.00 35.46 0.56 37 V E E 51.47 10.56 18.86 30.49 123.92 -168.44 -123.39 134.13 8.47 91.48 0.04 7.31 0.95 0.09 0.01 0.03 0.00 91.11 0.50 38 S E E 46.47 11.90 20.32 32.38 117.03 -121.98 -75.93 141.85 3.51 96.48 0.01 3.04 0.22 0.01 0.00 0.00 0.00 96.64 0.07 39 V E E 10.04 22.26 17.78 40.31 125.36 -165.46 -121.84 138.78 1.70 98.30 0.00 1.57 0.06 0.00 0.00 0.00 0.00 98.34 0.03 40 K E E 74.33 12.75 24.27 37.04 125.42 -158.86 -118.85 138.91 0.82 99.18 0.00 0.73 0.04 0.00 0.00 0.00 0.00 99.19 0.04 41 V E E 8.30 22.76 17.02 39.91 131.91 -177.10 -134.52 149.95 3.93 96.07 0.00 3.80 0.09 0.00 0.00 0.00 0.00 95.93 0.18 42 D E E 61.48 6.52 24.40 31.26 113.15 -107.46 -71.49 139.29 36.15 63.83 0.03 36.17 0.41 0.02 0.01 0.01 0.00 63.03 0.37 43 E H H 58.97 17.25 15.09 32.07 91.79 -126.02 -58.24 -38.23 1.06 0.00 98.94 0.17 0.09 0.62 98.57 0.54 0.00 0.00 0.00 44 V H H 90.19 2.62 22.75 24.62 91.52 54.57 -63.49 -40.13 0.25 0.00 99.75 0.02 0.01 0.17 99.18 0.61 0.00 0.00 0.00 45 E H H 59.48 10.39 20.16 31.23 91.81 49.78 -65.92 -40.54 0.13 0.00 99.87 0.01 0.00 0.09 99.17 0.73 0.00 0.00 0.00 46 F H H 3.97 26.05 15.51 41.97 91.37 50.79 -63.78 -43.41 0.17 0.00 99.83 0.01 0.01 0.11 99.67 0.20 0.00 0.00 0.00 47 I H H 55.13 11.48 20.66 32.50 91.41 51.21 -63.11 -42.16 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 48 K H H 106.62 2.61 23.59 25.05 91.65 50.79 -64.01 -41.77 0.29 0.00 99.70 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 49 V H H 15.52 16.19 17.89 34.86 91.92 50.35 -64.41 -43.03 0.57 0.01 99.43 0.07 0.03 0.36 99.43 0.10 0.00 0.00 0.00 50 I H H 23.61 20.71 15.45 35.50 91.97 49.55 -64.76 -40.25 1.06 0.01 98.93 0.19 0.09 0.63 98.80 0.28 0.00 0.00 0.00 51 R H H 153.51 3.11 18.98 22.85 92.64 49.02 -67.08 -37.29 3.71 0.02 96.28 0.42 0.23 2.80 95.90 0.64 0.00 0.01 0.00 52 E H H 121.35 2.71 18.99 21.69 97.17 40.21 -79.16 -36.62 7.98 0.03 91.99 0.60 0.65 6.41 91.67 0.63 0.01 0.01 0.02 53 V H H 46.02 12.87 14.41 27.70 101.57 32.91 -96.54 -22.00 25.38 0.35 74.27 4.40 6.40 14.94 73.00 0.88 0.07 0.10 0.21 54 G C C 26.09 8.69 17.76 27.49 122.22 -132.88 85.79 -170.74 91.65 0.93 7.41 63.58 7.39 21.03 2.58 4.45 0.00 0.57 0.39 55 R C T 131.22 10.04 15.77 26.04 96.77 -59.86 -74.52 -13.16 86.18 3.89 9.93 18.89 24.84 43.03 2.07 7.46 0.02 2.35 1.34 56 N C T 105.51 4.21 19.61 24.33 101.58 46.69 -94.22 15.63 87.86 6.56 5.58 26.71 22.52 39.06 0.62 5.04 0.00 5.26 0.79 57 G C C 17.47 12.56 16.08 29.35 127.75 110.04 -94.65 171.90 76.18 23.39 0.43 38.69 35.29 2.26 0.05 0.39 0.00 22.66 0.68 58 V E E 65.13 9.93 21.44 31.74 120.37 -113.09 -108.88 131.50 12.21 87.76 0.03 11.20 0.64 0.04 0.01 0.01 0.00 87.87 0.23 59 I E E 15.38 21.64 16.21 37.74 123.30 -166.03 -117.53 134.68 0.60 99.40 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.02 60 E E E 89.48 7.77 24.05 32.18 115.68 -147.78 -100.29 126.18 0.29 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 61 L E E 12.58 22.17 14.04 36.08 124.42 -173.34 -119.71 137.90 1.02 98.97 0.01 0.88 0.05 0.00 0.00 0.00 0.00 99.05 0.01 62 G E E 30.60 6.62 20.27 27.75 117.59 -147.31 -103.02 133.38 5.26 94.71 0.03 4.32 0.43 0.05 0.00 0.01 0.00 95.12 0.06 63 V E E 33.20 16.89 10.88 27.31 115.34 -175.76 -127.10 107.44 11.71 88.12 0.17 7.42 3.60 0.99 0.04 0.14 0.00 87.08 0.73 64 G C T 57.16 2.04 14.20 16.74 104.43 -43.44 61.61 -108.31 98.90 0.62 0.47 1.13 10.33 87.44 0.02 0.52 0.00 0.49 0.07 65 S C T 105.61 0.44 12.68 11.53 95.90 -24.06 -87.37 1.55 99.32 0.28 0.40 1.42 11.01 86.82 0.02 0.48 0.00 0.22 0.04 66 K E E 121.00 3.28 12.44 17.72 123.66 91.11 -107.93 144.33 14.18 85.76 0.06 9.46 4.40 0.50 0.01 0.05 0.00 85.23 0.35 67 T E E 86.27 6.49 13.31 21.88 118.14 -140.11 -100.88 131.68 6.05 93.95 0.00 5.15 0.27 0.02 0.00 0.00 0.00 94.52 0.05 68 I E E 35.79 14.67 14.35 30.11 126.81 -173.69 -125.62 141.09 1.20 98.80 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.91 0.01 69 K E E 109.47 6.34 23.19 30.08 113.80 -128.35 -86.61 130.00 0.66 99.33 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.39 0.00 70 V E E 4.64 24.41 15.42 40.37 134.35 176.45 -136.09 153.92 0.60 99.40 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 71 M E E 46.93 9.64 26.12 37.08 117.60 -130.77 -103.16 130.90 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 72 V E E 7.55 24.12 15.85 40.79 109.96 -123.43 -76.05 124.69 2.03 97.96 0.01 1.93 0.07 0.01 0.00 0.00 0.00 97.96 0.02 73 A E E 45.48 8.10 22.19 31.16 101.45 175.49 -97.69 -31.57 5.50 94.48 0.02 3.64 1.54 0.14 0.00 0.01 0.00 94.62 0.03 74 D E E 64.19 5.74 24.53 30.87 140.71 -0.54 -154.63 154.02 1.91 98.08 0.01 1.49 0.24 0.03 0.00 0.01 0.00 98.22 0.02 75 Y E E 62.98 20.83 13.55 33.11 128.52 -159.80 -132.72 139.46 1.03 98.96 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.97 0.02 76 Q E E 68.43 8.13 20.73 29.81 128.08 -172.55 -129.71 141.14 0.99 99.01 0.00 0.77 0.09 0.01 0.00 0.00 0.00 99.11 0.02 77 F E E 92.78 11.13 14.51 26.52 121.02 -151.58 -110.67 134.27 2.24 97.76 0.00 1.96 0.18 0.01 0.00 0.00 0.00 97.52 0.33 78 D C C 40.48 9.33 11.17 22.83 108.46 -129.08 -85.80 116.96 72.18 27.80 0.01 71.61 0.51 0.05 0.00 0.01 0.00 27.40 0.42 79 P C T 97.07 3.64 11.65 17.25 93.38 -156.00 -65.73 -25.89 99.52 0.08 0.39 0.30 5.24 94.02 0.01 0.36 0.00 0.05 0.02 80 L C T 134.44 1.01 12.27 12.94 96.83 47.51 -75.38 -37.65 99.37 0.19 0.44 0.31 5.44 93.67 0.01 0.40 0.00 0.10 0.07 81 K C T 123.51 2.45 11.89 15.17 100.84 24.57 -102.39 -8.44 99.39 0.20 0.41 1.93 8.06 89.38 0.01 0.44 0.00 0.13 0.05 82 N C T 103.48 5.72 12.61 20.36 95.05 -129.57 57.28 36.05 99.31 0.42 0.27 32.82 11.80 54.71 0.05 0.22 0.00 0.34 0.07 83 Q C E 74.69 6.74 18.90 26.80 131.71 117.75 -127.66 153.63 51.81 48.12 0.06 38.34 13.43 0.49 0.01 0.07 0.00 45.12 2.54 84 I E E 22.32 20.91 14.61 35.60 109.72 -110.93 -76.50 126.05 1.38 98.62 0.00 1.32 0.05 0.00 0.00 0.00 0.00 98.29 0.32 85 T E E 47.30 9.18 22.00 32.21 101.50 175.63 -100.52 -29.20 1.82 98.18 0.00 1.17 0.41 0.02 0.00 0.00 0.00 98.38 0.01 86 H E E 54.42 10.11 24.18 35.16 140.36 2.47 -154.69 149.37 0.34 99.66 0.00 0.26 0.02 0.00 0.00 0.00 0.00 99.72 0.00 87 I E E 7.31 24.83 16.77 41.98 126.02 -165.83 -129.35 134.34 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 88 D E E 35.15 10.07 26.31 37.29 120.43 -164.67 -114.65 133.01 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 89 F E E 10.80 24.16 17.09 41.41 125.02 -165.56 -120.11 138.21 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 90 L E E 48.71 10.11 23.95 34.74 123.61 -165.29 -120.80 134.10 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 91 A E E 29.63 15.66 16.83 32.76 114.31 -135.29 -85.64 131.66 4.31 95.69 0.00 4.45 0.05 0.00 0.00 0.00 0.00 95.27 0.22 92 I C C 49.59 14.09 17.64 31.87 110.75 -156.75 -97.07 119.18 98.92 1.08 0.00 99.07 0.04 0.00 0.00 0.00 0.00 0.87 0.01