# 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 S C C 58.64 6.68 20.17 26.92 109.04 -132.75 -85.70 113.99 99.75 0.10 0.15 99.68 0.09 0.07 0.10 0.01 0.00 0.04 0.02 1 I H H 32.03 19.51 13.50 31.89 95.96 82.63 -71.95 -30.33 34.11 0.39 65.50 25.96 1.33 6.58 64.47 1.31 0.00 0.15 0.19 2 N H H 65.69 12.82 15.30 28.01 93.39 60.86 -63.74 -39.96 18.60 0.12 81.28 8.71 2.36 7.37 80.09 1.36 0.00 0.05 0.06 3 S H H 69.29 1.99 19.98 20.83 92.34 52.55 -65.83 -39.10 8.70 0.07 91.23 3.98 1.31 3.61 89.50 1.53 0.00 0.03 0.03 4 R H H 87.12 10.23 18.74 29.43 92.25 50.39 -66.28 -40.40 3.10 0.04 96.86 1.30 0.45 1.39 96.01 0.81 0.00 0.02 0.01 5 L H H 7.25 24.20 14.38 38.47 91.60 50.76 -64.13 -42.00 1.25 0.02 98.73 0.49 0.16 0.55 98.48 0.31 0.00 0.01 0.00 6 Q H H 87.11 7.13 20.76 28.49 91.64 53.00 -62.89 -41.04 0.90 0.02 99.09 0.33 0.10 0.41 98.94 0.21 0.00 0.01 0.00 7 L H H 80.17 3.20 22.10 24.79 91.83 50.71 -64.03 -41.91 0.87 0.04 99.09 0.28 0.10 0.44 98.90 0.24 0.00 0.02 0.01 8 V H H 14.84 17.43 15.72 33.73 91.98 49.85 -64.76 -42.06 1.11 0.18 98.72 0.38 0.13 0.58 98.43 0.35 0.01 0.10 0.02 9 M H H 52.17 17.18 14.88 31.34 92.06 50.83 -64.60 -39.35 2.11 0.11 97.78 0.55 0.19 1.29 97.04 0.83 0.01 0.08 0.02 10 K H H 155.25 1.50 19.26 20.27 91.62 52.23 -66.85 -30.41 7.27 0.06 92.66 0.59 0.45 6.11 91.96 0.81 0.02 0.03 0.02 11 S H H 66.64 4.36 16.95 22.04 94.00 49.76 -85.18 -10.97 35.81 0.09 64.10 1.18 2.56 31.10 64.12 0.93 0.04 0.03 0.06 12 G C T 32.08 11.08 16.08 27.51 98.80 -111.18 80.55 10.24 99.03 0.61 0.36 8.66 35.92 54.52 0.08 0.21 0.00 0.53 0.09 13 K C C 96.05 10.08 21.28 31.25 105.89 106.06 -97.64 55.38 71.56 27.84 0.60 53.27 14.75 1.67 0.10 0.53 0.00 29.11 0.56 14 Y E E 36.89 21.43 17.54 38.10 128.00 72.07 -121.28 143.15 15.50 84.11 0.38 13.11 2.34 0.39 0.15 0.25 0.00 82.45 1.31 15 V E E 23.15 16.90 22.99 39.89 121.29 -159.34 -116.37 131.51 10.03 89.89 0.08 10.19 0.30 0.04 0.06 0.03 0.00 87.53 1.85 16 L E E 50.42 16.47 23.03 38.46 120.62 -159.52 -111.05 131.84 33.37 66.58 0.05 29.28 3.01 0.11 0.02 0.03 0.00 66.69 0.86 17 G C S 15.58 10.62 25.27 37.02 124.28 21.04 96.95 161.76 94.47 2.17 3.36 15.68 76.22 2.18 4.01 0.26 0.00 0.95 0.70 18 Y H H 49.75 21.12 16.80 36.85 92.11 -90.76 -61.07 -39.76 2.30 0.01 97.69 0.22 0.48 1.39 97.65 0.24 0.00 0.00 0.00 19 K H H 131.01 3.74 23.77 28.12 91.54 51.87 -62.92 -41.74 1.01 0.00 98.99 0.08 0.09 0.74 98.85 0.25 0.00 0.00 0.00 20 Q H H 74.80 7.30 23.48 31.04 91.82 47.70 -66.08 -40.38 0.29 0.00 99.71 0.03 0.02 0.18 99.56 0.21 0.00 0.00 0.00 21 S H H 1.49 26.26 16.62 43.56 91.22 50.94 -63.63 -43.39 0.10 0.00 99.90 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 22 L H H 26.85 18.28 21.56 39.15 91.25 50.17 -63.39 -42.43 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 23 K H H 110.04 2.64 26.26 27.80 91.60 50.79 -63.75 -42.04 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 24 M H H 25.33 13.61 20.18 34.76 91.54 49.79 -64.36 -42.43 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.04 0.00 0.00 0.00 25 I H H 4.64 25.30 14.87 40.40 91.35 49.33 -63.67 -43.17 0.20 0.00 99.79 0.01 0.00 0.16 99.69 0.14 0.00 0.00 0.00 26 R H H 125.69 8.61 19.52 28.80 91.03 51.55 -64.12 -34.47 2.05 0.00 97.95 0.02 0.03 2.12 97.63 0.19 0.00 0.00 0.00 27 Q C T 116.60 2.51 20.21 22.24 92.03 52.71 -83.90 -6.62 74.65 0.01 25.35 0.15 0.67 73.45 25.35 0.37 0.00 0.00 0.01 28 G C T 37.06 11.30 15.53 27.20 95.33 -112.29 79.77 11.13 99.79 0.00 0.20 0.45 1.71 97.73 0.08 0.03 0.00 0.00 0.00 29 K C S 108.98 6.09 22.00 28.85 94.56 122.96 -82.67 -17.81 99.73 0.22 0.05 43.85 54.88 1.03 0.01 0.03 0.00 0.09 0.10 30 A C C 4.07 25.35 13.15 38.60 121.54 66.33 -105.62 138.17 93.61 6.35 0.04 83.58 9.37 0.39 0.00 0.06 0.00 6.31 0.30 31 K C S 88.83 9.77 26.70 37.55 100.35 -169.63 -97.61 -27.80 91.99 8.00 0.01 17.43 74.18 0.21 0.00 0.01 0.00 8.08 0.09 32 L E E 10.07 21.37 26.53 47.16 135.69 16.27 -144.19 143.81 2.44 97.55 0.01 1.78 0.59 0.03 0.00 0.00 0.00 97.54 0.06 33 V E E 1.17 27.10 26.91 53.88 121.13 -162.25 -118.83 128.01 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 34 I E E 2.12 25.71 29.22 54.26 117.03 -163.41 -110.59 124.56 0.03 99.97 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.97 0.00 35 L E E 5.90 24.05 26.80 49.61 126.61 -172.47 -119.61 142.73 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 36 A E E 5.15 21.94 20.48 42.78 114.56 -116.42 -73.81 143.74 27.52 72.46 0.02 26.80 0.58 0.05 0.00 0.01 0.00 72.27 0.28 37 N C T 72.82 10.94 21.91 33.21 93.45 -126.12 -65.74 -24.11 91.53 8.05 0.43 3.58 25.17 63.26 0.02 0.46 0.00 7.12 0.38 38 N C T 98.03 4.87 22.18 27.81 95.22 57.28 -91.58 7.16 97.76 1.89 0.35 7.17 30.61 60.04 0.02 0.42 0.00 1.51 0.22 39 C C S 11.86 23.06 8.81 30.71 118.13 119.21 -75.77 143.69 97.67 2.08 0.24 46.92 50.56 0.43 0.11 0.09 0.00 0.66 1.23 40 P C C 63.38 4.07 18.28 22.97 114.11 -102.77 -63.74 149.54 99.40 0.24 0.37 98.60 0.69 0.24 0.20 0.04 0.00 0.07 0.14 41 A H H 80.69 3.64 13.49 19.07 91.86 -111.60 -57.44 -37.72 17.02 0.06 82.92 1.99 2.15 11.60 68.72 15.43 0.04 0.02 0.04 42 L H H 122.34 1.36 16.72 17.37 91.61 55.27 -65.36 -33.77 13.95 0.06 85.99 1.33 1.44 10.16 71.45 15.53 0.04 0.03 0.03 43 R H H 71.70 13.87 14.50 28.34 93.98 48.21 -75.76 -27.70 10.59 0.10 89.30 2.25 1.25 6.20 73.05 17.13 0.02 0.06 0.03 44 K H H 62.66 17.30 14.48 30.81 91.95 62.85 -60.98 -42.41 4.81 0.03 95.16 1.46 0.71 2.38 93.26 2.17 0.01 0.01 0.01 45 S H H 64.75 2.23 22.69 23.49 91.79 51.85 -64.12 -40.49 4.63 0.01 95.36 0.73 0.42 3.04 94.20 1.60 0.01 0.01 0.01 46 E H H 80.00 7.08 22.10 29.56 91.57 50.20 -64.79 -41.18 2.01 0.01 97.97 0.45 0.18 1.20 97.45 0.71 0.00 0.00 0.00 47 I H H 2.58 26.32 15.60 42.49 91.33 49.83 -64.48 -42.94 0.34 0.00 99.66 0.08 0.03 0.16 99.63 0.10 0.00 0.00 0.00 48 E H H 77.88 12.68 21.54 33.64 91.47 52.13 -62.12 -42.08 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 49 Y H H 129.42 2.07 25.07 25.19 91.62 49.72 -63.61 -42.48 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 50 Y H H 42.36 14.19 20.70 35.23 92.08 48.82 -64.77 -42.36 0.07 0.00 99.93 0.00 0.00 0.05 99.90 0.05 0.00 0.00 0.00 51 A H H 3.94 23.41 14.33 37.97 91.39 50.50 -63.44 -42.25 0.20 0.00 99.80 0.01 0.01 0.15 99.71 0.12 0.00 0.00 0.00 52 M H H 113.39 4.09 20.37 25.21 91.72 49.67 -64.27 -40.34 0.86 0.00 99.14 0.03 0.03 0.77 98.85 0.32 0.00 0.00 0.00 53 L H H 104.81 3.74 19.79 23.82 91.44 51.28 -65.89 -34.74 4.11 0.00 95.89 0.09 0.15 3.79 95.71 0.26 0.00 0.00 0.00 54 A H H 25.87 15.55 14.29 30.25 94.08 48.86 -85.40 -5.62 46.80 0.10 53.10 1.65 3.82 39.09 54.61 0.71 0.02 0.03 0.08 55 K C T 159.54 1.99 20.96 23.07 94.17 -124.00 58.72 38.50 99.30 0.06 0.63 6.07 7.43 85.91 0.41 0.12 0.00 0.03 0.02 56 T C C 22.12 19.81 13.75 33.10 124.82 134.13 -117.17 148.93 97.08 2.85 0.06 74.20 21.94 0.85 0.01 0.05 0.00 2.77 0.18 57 G E E 27.43 8.00 25.24 33.80 116.16 -113.11 -79.98 149.45 46.13 53.81 0.07 40.25 3.51 0.38 0.01 0.06 0.00 55.34 0.44 58 V E E 27.30 23.28 15.56 38.12 123.40 -157.39 -117.73 132.04 6.85 93.14 0.01 6.51 0.26 0.01 0.00 0.00 0.00 92.82 0.39 59 H E E 59.75 12.93 23.60 36.38 120.77 -164.03 -111.38 130.67 1.21 98.79 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.78 0.07 60 H E E 89.29 13.64 21.43 34.49 118.80 -150.73 -102.33 129.48 3.09 96.90 0.01 2.93 0.11 0.01 0.00 0.00 0.00 96.81 0.14 61 Y E E 45.38 18.85 14.73 33.09 123.99 -170.88 -117.20 138.78 34.92 64.99 0.09 33.04 1.21 0.14 0.02 0.05 0.00 64.82 0.72 62 S C C 77.85 4.22 20.45 25.42 108.64 -167.63 -106.87 57.52 75.43 24.32 0.25 49.18 22.51 2.84 0.04 0.24 0.00 24.52 0.66 63 G C S 29.63 8.46 18.55 27.72 137.20 77.00 160.55 -175.15 92.00 7.38 0.62 20.71 66.69 4.78 0.15 0.41 0.00 6.29 0.96 64 N C C 78.38 6.05 22.31 28.39 123.14 -64.37 -100.19 152.16 94.77 2.71 2.53 82.24 10.93 1.53 2.18 0.53 0.00 1.33 1.27 65 N H H 39.99 20.53 14.28 33.86 93.13 -119.43 -62.11 -35.19 7.49 0.06 92.46 2.07 2.10 3.26 91.59 0.93 0.01 0.02 0.03 66 I H H 93.27 6.36 21.19 28.00 92.63 54.77 -65.16 -40.63 3.38 0.03 96.59 0.62 0.50 2.15 95.77 0.93 0.01 0.01 0.01 67 E H H 92.37 4.64 23.02 27.59 92.43 49.02 -66.19 -40.22 1.99 0.05 97.96 0.51 0.27 1.21 96.89 1.08 0.01 0.03 0.01 68 L H H 7.06 21.85 15.55 37.67 91.96 51.56 -64.11 -42.84 0.96 0.02 99.02 0.20 0.13 0.58 98.43 0.65 0.00 0.01 0.00 69 G H H 9.28 14.97 16.05 32.10 91.71 51.67 -62.90 -42.23 1.68 0.02 98.30 0.31 0.17 1.08 97.52 0.90 0.00 0.01 0.00 70 T H H 94.17 1.92 20.91 21.88 92.19 49.13 -65.83 -40.36 2.22 0.02 97.76 0.28 0.19 1.64 96.36 1.52 0.01 0.01 0.00 71 A H H 48.52 9.97 17.11 27.71 92.54 51.84 -67.42 -34.70 5.68 0.03 94.30 0.28 0.39 4.97 93.05 1.27 0.02 0.01 0.01 72 C H H 28.93 16.55 13.81 30.37 95.20 39.08 -90.67 -6.62 47.38 0.08 52.55 0.79 2.10 44.04 51.37 1.59 0.02 0.02 0.06 73 G C T 59.70 1.45 19.61 20.01 94.39 -116.75 76.84 16.15 99.32 0.04 0.65 4.43 5.34 89.73 0.29 0.18 0.00 0.02 0.02 74 K C C 73.37 10.79 11.48 23.44 131.40 113.99 -121.71 157.61 98.50 0.91 0.59 57.57 38.49 2.37 0.18 0.36 0.00 0.30 0.73 75 Y C S 173.33 2.62 17.17 20.58 98.60 -132.05 -81.71 -8.60 97.55 1.27 1.18 45.70 46.25 5.63 0.22 0.95 0.00 0.58 0.67 76 Y C S 90.25 10.39 17.28 28.41 129.46 61.34 -123.37 153.87 95.14 2.92 1.94 38.51 48.23 8.48 0.30 1.73 0.00 1.64 1.10 77 R C C 105.79 11.53 22.36 33.41 111.53 -107.03 -81.44 129.20 90.71 7.45 1.84 61.64 23.04 6.02 0.32 1.78 0.00 5.33 1.88 78 V C C 12.62 23.28 18.77 41.64 121.48 -156.32 -109.96 133.63 77.04 22.49 0.48 67.68 7.77 0.92 0.13 0.40 0.00 20.29 2.81 79 C C C 24.19 17.60 25.65 42.69 99.99 -173.56 -93.75 -27.50 77.10 22.77 0.13 38.72 38.05 0.74 0.02 0.11 0.00 21.94 0.43 80 T E E 10.93 21.10 27.00 47.59 135.01 16.93 -143.39 142.53 10.11 89.73 0.15 8.54 1.35 0.17 0.03 0.08 0.00 89.50 0.33 81 L E E 2.75 26.39 25.99 51.90 125.84 -166.45 -126.65 135.76 1.61 98.35 0.03 1.49 0.09 0.01 0.01 0.01 0.00 98.32 0.07 82 S E E 8.62 20.90 28.36 48.37 120.70 -160.26 -111.71 130.57 0.93 99.05 0.02 0.81 0.04 0.00 0.01 0.00 0.00 99.09 0.03 83 I E E 7.33 23.90 21.58 45.47 114.18 -155.91 -102.99 121.97 3.27 96.71 0.02 3.19 0.09 0.01 0.01 0.01 0.00 96.42 0.27 84 I C E 57.33 13.00 22.97 35.87 99.71 -176.45 -89.88 -26.53 58.44 41.43 0.13 31.46 26.71 0.93 0.03 0.10 0.00 40.21 0.56 85 D C S 65.19 7.68 21.71 30.07 117.77 33.72 -127.22 111.90 90.01 9.36 0.63 28.59 58.39 2.78 0.25 0.31 0.00 8.84 0.84 86 P C T 58.41 14.94 14.55 29.40 96.23 -147.38 -62.96 -25.96 63.72 1.83 34.45 13.15 10.73 38.83 20.58 14.64 0.09 1.18 0.80 87 G C T 42.06 4.89 20.26 25.63 94.86 59.37 -62.04 -30.83 58.22 0.99 40.80 10.22 8.75 37.69 26.47 15.68 0.09 0.55 0.56 88 D H H 51.57 12.48 16.88 29.69 96.12 53.60 -87.23 -8.26 41.82 1.25 56.93 20.77 7.19 13.75 38.52 18.51 0.04 0.66 0.56 89 S H H 17.01 20.69 12.14 31.78 95.69 76.19 -69.54 -33.79 28.81 0.97 70.23 12.03 5.47 11.32 52.47 17.74 0.07 0.54 0.36 90 D H H 98.10 3.12 21.15 24.17 94.29 69.68 -69.77 -26.99 27.41 1.13 71.46 9.41 5.14 12.73 54.74 16.79 0.12 0.72 0.36 91 I H H 70.87 9.35 17.33 27.40 94.85 60.67 -69.68 -35.03 28.77 2.35 68.88 10.00 5.98 13.69 54.66 13.09 0.25 1.68 0.66 92 I H H 29.76 20.53 12.35 31.36 97.20 54.04 -77.77 -25.92 33.88 7.83 58.29 14.80 8.17 14.07 48.33 6.63 0.56 5.11 2.32 93 R C C 132.17 7.84 14.18 22.95 102.99 68.33 -83.48 4.09 60.09 5.59 34.31 41.69 2.81 14.90 32.37 2.68 0.01 3.30 2.23 94 S C C 77.81 3.94 14.80 20.05 107.08 81.04 -83.68 84.92 99.89 0.06 0.06 99.72 0.08 0.12 0.04 0.00 0.00 0.03 0.01