# 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 T C C 39.15 18.84 17.17 34.67 122.15 23.82 -107.13 130.58 98.10 1.90 0.00 98.16 0.08 0.01 0.00 0.00 0.00 1.73 0.02 1 T E E 42.12 12.65 19.50 32.67 124.64 -165.07 -117.93 138.44 11.05 88.92 0.03 11.08 0.21 0.03 0.01 0.02 0.00 87.54 1.11 2 T E E 67.02 10.10 20.96 31.40 117.85 -141.38 -99.40 130.98 7.85 92.12 0.03 7.62 0.32 0.04 0.01 0.01 0.00 91.39 0.61 3 V E E 13.53 20.69 13.48 34.48 116.35 -158.58 -109.06 123.40 27.77 72.17 0.06 28.01 0.51 0.06 0.02 0.03 0.00 70.29 1.07 4 T C C 76.93 6.81 21.02 28.61 102.69 172.63 -111.73 -6.44 88.32 11.59 0.09 67.23 20.19 0.41 0.03 0.05 0.00 11.72 0.35 5 S C S 43.01 4.99 22.87 28.10 137.16 39.81 -138.68 163.32 95.76 2.34 1.90 22.79 72.08 1.04 2.01 0.18 0.00 1.09 0.82 6 E H H 72.86 16.21 13.43 29.14 91.77 -110.07 -60.39 -37.09 4.17 0.02 95.81 0.59 0.80 2.74 94.16 1.68 0.01 0.01 0.01 7 D H H 107.89 1.35 20.69 20.64 91.48 53.98 -63.73 -40.14 2.33 0.01 97.65 0.30 0.22 1.69 95.83 1.93 0.00 0.01 0.00 8 H H H 76.24 7.37 18.64 27.02 91.92 49.20 -66.18 -40.32 1.03 0.01 98.96 0.18 0.09 0.65 96.98 2.08 0.00 0.00 0.00 9 F H H 3.79 25.69 13.10 39.18 91.26 51.09 -63.30 -43.48 0.72 0.00 99.27 0.14 0.06 0.42 98.52 0.86 0.00 0.00 0.00 10 M H H 69.68 11.60 19.98 31.70 91.28 51.53 -62.82 -41.25 1.19 0.00 98.81 0.20 0.08 0.76 98.21 0.75 0.00 0.00 0.00 11 T H H 75.61 1.93 23.66 23.47 91.72 50.47 -64.13 -42.04 2.47 0.01 97.52 0.23 0.13 1.97 96.64 1.02 0.00 0.00 0.00 12 F H H 27.28 15.53 18.15 34.26 92.11 49.53 -64.53 -42.37 3.81 0.02 96.17 0.45 0.32 2.85 95.04 1.31 0.01 0.01 0.01 13 Y H H 13.45 23.70 14.44 37.77 92.05 50.03 -65.40 -39.37 8.38 0.09 91.52 1.98 1.18 5.29 89.24 2.20 0.02 0.05 0.04 14 N H H 104.75 3.82 19.57 24.22 92.27 52.56 -68.11 -30.34 19.17 0.13 80.70 3.21 1.96 13.71 78.68 2.28 0.03 0.06 0.06 15 E H H 124.67 2.88 18.80 21.69 94.89 52.92 -78.81 -18.32 35.35 0.32 64.33 5.33 5.92 24.35 61.32 2.68 0.08 0.12 0.19 16 N C C 40.06 16.92 11.21 27.28 105.02 61.62 -98.87 56.83 71.25 0.89 27.85 35.80 8.95 26.04 25.08 3.22 0.01 0.35 0.55 17 N C T 97.81 7.08 16.97 25.14 98.66 161.29 -73.57 -11.88 94.23 0.56 5.21 27.19 15.21 52.24 2.67 2.08 0.00 0.28 0.32 18 K C T 136.19 4.95 19.74 25.28 98.50 40.10 -94.58 5.61 97.05 0.49 2.46 15.37 32.02 49.95 0.65 1.53 0.00 0.31 0.16 19 K C S 55.24 14.81 19.90 34.56 129.81 92.05 -109.45 153.56 93.82 5.88 0.30 22.04 68.78 2.77 0.04 0.23 0.00 5.77 0.36 20 L E E 11.60 21.93 22.74 44.45 114.11 -107.65 -77.97 135.25 20.24 79.74 0.02 18.81 0.85 0.04 0.00 0.01 0.00 80.07 0.23 21 I E E 4.74 23.85 26.59 49.97 120.33 -157.78 -113.76 128.20 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 22 V E E 1.79 25.94 28.22 53.55 116.70 -163.12 -110.96 124.03 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 23 V E E 1.95 25.72 28.70 53.81 116.21 -162.63 -109.15 122.09 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 24 D E E 3.86 24.24 28.56 51.97 114.88 -159.70 -104.28 121.88 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 25 V E E 3.63 24.88 26.94 50.84 118.14 -165.97 -110.92 125.27 0.81 99.19 0.00 0.75 0.01 0.00 0.00 0.00 0.00 99.22 0.01 26 Y E E 19.70 20.20 23.45 42.93 141.27 158.93 -147.01 164.73 6.22 93.77 0.00 6.08 0.17 0.00 0.00 0.00 0.00 93.38 0.37 27 P C C 24.18 14.40 20.70 35.66 120.66 -109.78 -95.17 148.87 77.73 22.23 0.03 74.90 1.93 0.13 0.01 0.03 0.00 22.53 0.49 28 G C T 39.34 9.88 16.89 27.63 92.87 -129.44 -66.48 -23.48 99.03 0.34 0.63 1.63 10.45 86.88 0.03 0.70 0.00 0.22 0.09 29 W C T 188.72 1.99 18.22 19.95 94.81 58.14 -89.86 -1.20 99.26 0.15 0.59 4.29 8.76 86.04 0.05 0.71 0.00 0.09 0.05 30 S C C 23.40 16.40 8.79 24.89 112.36 101.41 -91.72 119.97 97.87 0.87 1.26 82.07 14.88 0.55 0.92 0.32 0.00 0.17 1.09 31 G H H 49.74 1.95 18.78 20.25 93.78 -151.26 -63.02 -38.60 6.87 0.01 93.13 0.84 1.76 3.61 93.35 0.42 0.00 0.00 0.00 32 P H H 59.41 8.75 18.18 27.69 92.38 51.37 -66.24 -37.43 2.45 0.00 97.54 0.19 0.27 1.87 97.11 0.54 0.02 0.00 0.00 33 C H H 7.33 22.78 12.83 35.38 91.75 52.56 -64.24 -40.43 0.48 0.00 99.52 0.04 0.04 0.35 99.12 0.45 0.00 0.00 0.00 34 T H H 79.21 6.06 20.49 27.39 91.54 53.09 -64.11 -37.10 0.33 0.00 99.67 0.02 0.01 0.25 99.16 0.55 0.00 0.00 0.00 35 A H H 63.87 3.70 22.49 25.94 92.02 51.95 -68.35 -33.43 3.21 0.00 96.79 0.03 0.07 3.44 95.65 0.81 0.00 0.00 0.00 36 M H H 14.42 21.29 16.46 37.53 95.09 47.01 -81.45 -23.18 10.30 0.00 89.70 0.09 0.23 10.90 88.31 0.47 0.00 0.00 0.00 37 Y H H 55.00 19.30 17.12 35.37 92.39 79.90 -58.98 -44.55 1.79 0.00 98.21 0.37 0.17 0.90 97.81 0.74 0.00 0.00 0.00 38 P H H 74.15 2.69 23.82 25.42 91.12 50.86 -63.02 -38.86 0.87 0.00 99.13 0.11 0.05 0.58 98.11 1.15 0.00 0.00 0.00 39 T H H 36.75 11.18 21.12 32.92 91.89 50.30 -65.02 -41.73 0.26 0.00 99.74 0.03 0.01 0.16 99.00 0.79 0.00 0.00 0.00 40 Y H H 3.40 26.52 16.33 43.38 91.42 50.14 -64.11 -42.66 0.16 0.00 99.84 0.02 0.01 0.10 99.71 0.16 0.00 0.00 0.00 41 N H H 69.48 11.09 21.11 32.09 91.25 51.98 -62.56 -40.93 0.38 0.00 99.62 0.03 0.01 0.28 99.52 0.16 0.00 0.00 0.00 42 Q H H 102.36 2.33 23.99 24.92 91.70 50.49 -64.81 -40.81 1.07 0.00 98.93 0.05 0.04 0.90 98.65 0.36 0.00 0.00 0.00 43 L H H 16.62 17.07 18.00 35.58 92.07 49.59 -65.06 -41.48 2.08 0.00 97.91 0.14 0.10 1.62 96.60 1.54 0.00 0.00 0.00 44 M H H 24.65 20.11 14.68 34.37 91.83 53.63 -65.85 -33.15 7.25 0.03 92.72 0.71 0.44 5.70 88.14 4.98 0.01 0.01 0.01 45 I H H 115.13 3.28 19.42 23.05 92.47 55.37 -71.92 -25.05 29.02 0.08 70.91 1.17 1.31 26.22 66.85 4.32 0.04 0.03 0.05 46 S C H 69.87 4.39 17.64 22.67 94.72 53.63 -85.63 -11.20 52.61 0.14 47.25 3.08 3.75 44.51 44.64 3.84 0.03 0.06 0.10 47 I C C 25.41 20.07 7.90 26.42 117.71 80.76 -101.54 130.14 91.67 0.82 7.51 56.34 30.33 4.81 5.71 1.79 0.00 0.22 0.81 48 D C T 121.10 1.34 17.59 18.28 100.86 -145.19 -71.81 -10.72 85.34 0.42 14.23 13.06 20.97 51.82 6.57 7.01 0.01 0.18 0.39 49 D C T 79.67 6.37 15.79 23.32 99.26 23.50 -62.40 35.93 83.59 0.57 15.84 23.09 11.70 49.38 7.63 7.53 0.00 0.25 0.43 50 F H G 30.48 21.16 10.91 31.05 94.03 137.09 -67.07 -29.29 28.62 0.75 70.63 11.38 4.39 12.16 35.59 35.74 0.02 0.43 0.29 51 E H G 106.24 9.74 16.92 27.30 91.72 66.11 -64.89 -26.41 23.92 0.37 75.70 3.03 2.62 16.11 35.65 42.18 0.03 0.24 0.13 52 K H G 135.59 2.94 21.10 23.97 95.86 45.31 -84.84 -19.11 31.36 0.38 68.27 2.79 3.38 22.55 32.40 38.42 0.05 0.23 0.18 53 R H T 65.49 15.39 17.67 32.49 103.36 30.89 -107.48 -16.17 46.68 2.93 50.39 6.37 7.86 31.66 26.13 24.44 0.38 2.29 0.87 54 I E E 3.26 25.81 15.35 42.18 127.76 49.01 -128.57 138.70 7.05 92.90 0.04 5.83 1.06 0.07 0.02 0.02 0.00 92.59 0.41 55 D E E 29.10 13.57 27.09 41.06 118.78 -160.53 -111.57 128.71 0.63 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 56 I E E 14.51 22.94 21.87 44.24 118.92 -157.46 -109.48 127.19 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 57 L E E 13.22 19.71 24.20 43.41 123.06 -169.97 -116.96 134.87 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 58 L E E 44.70 15.89 25.50 40.65 117.51 -152.95 -104.79 127.24 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 59 L E E 7.56 23.23 18.88 42.27 123.80 -170.20 -118.93 134.57 5.16 94.83 0.01 4.95 0.16 0.01 0.00 0.00 0.00 94.80 0.07 60 D E E 37.12 9.36 24.78 35.30 108.96 -139.80 -91.81 113.96 14.73 85.25 0.03 14.33 0.42 0.03 0.01 0.01 0.00 84.60 0.59 61 Q H G 16.32 22.81 14.38 37.33 93.35 -159.17 -67.97 -27.09 48.41 1.07 50.53 6.31 4.73 36.65 14.31 36.86 0.02 0.77 0.35 62 D C T 88.25 5.93 19.61 26.32 92.22 63.89 -69.35 -24.61 51.07 0.18 48.75 1.61 3.53 45.56 13.38 35.67 0.02 0.09 0.15 63 K H T 116.12 4.64 18.98 24.09 97.63 45.64 -90.01 -10.17 48.75 0.34 50.91 3.23 5.86 38.84 15.13 36.48 0.03 0.18 0.26 64 L C C 25.70 20.24 11.47 30.53 99.84 70.13 -89.80 5.91 67.01 1.14 31.86 46.12 15.09 6.27 23.69 7.69 0.00 0.43 0.71 65 V H H 79.48 7.68 16.85 25.37 95.66 104.27 -69.41 -33.32 45.45 1.46 53.09 22.73 6.55 15.76 33.77 19.70 0.03 0.82 0.63 66 T H H 80.30 4.63 18.19 23.33 95.56 56.14 -74.72 -24.65 42.34 1.97 55.69 17.19 7.28 17.53 35.35 20.66 0.09 1.16 0.73 67 Y H H 53.33 16.39 13.20 29.15 98.39 56.36 -83.69 -10.57 40.95 2.55 56.50 21.60 7.86 12.05 37.01 19.02 0.07 1.43 0.96 68 K C H 83.71 13.04 13.84 26.70 101.62 78.17 -79.15 -1.26 53.21 2.22 44.57 31.11 9.53 13.78 34.54 8.89 0.04 1.13 1.00 69 N C C 95.22 5.36 14.30 20.77 100.77 77.54 -81.24 4.05 64.72 1.45 33.83 29.17 14.55 21.93 25.32 7.56 0.04 0.62 0.81 70 D C T 97.95 4.88 14.34 20.29 99.51 43.14 -76.93 -16.85 69.47 1.17 29.36 24.68 20.03 25.61 16.76 11.55 0.03 0.47 0.86 71 K C T 114.65 6.97 16.06 23.91 95.67 64.45 -71.34 -20.46 69.16 1.36 29.48 16.65 17.86 35.42 11.73 16.71 0.04 0.64 0.95 72 F C T 32.87 19.97 12.20 31.16 101.55 48.52 -99.35 12.03 69.21 4.33 26.46 25.28 17.83 27.73 8.50 16.17 0.13 2.16 2.21 73 H C C 117.06 5.60 21.18 27.58 105.00 155.40 -76.87 90.62 82.17 4.45 13.37 58.76 10.59 12.51 4.55 8.87 0.00 2.55 2.17 74 A C C 22.90 20.46 10.17 29.35 113.43 -149.98 -84.71 129.53 94.84 2.81 2.35 88.41 4.34 2.27 0.90 1.11 0.00 1.43 1.55 75 T C C 104.13 2.25 20.62 22.76 99.81 170.44 -100.82 -8.61 97.87 1.13 1.00 70.46 21.63 5.78 0.31 0.63 0.00 0.53 0.65 76 C C S 51.61 8.49 20.63 29.72 135.85 33.79 -137.72 161.81 97.63 1.87 0.50 10.28 83.72 4.00 0.11 0.23 0.00 0.76 0.89 77 Q C S 43.80 16.56 20.65 36.96 126.01 -87.17 -106.09 147.49 98.74 1.22 0.04 4.30 93.37 1.48 0.00 0.02 0.00 0.67 0.14 78 P C S 10.06 21.51 19.86 41.43 115.63 43.10 -73.42 141.01 96.52 3.46 0.02 36.85 57.75 1.84 0.00 0.03 0.00 3.37 0.16 79 K E E 30.77 16.40 26.18 42.34 127.33 -171.28 -123.67 139.28 2.23 97.77 0.00 2.12 0.09 0.00 0.00 0.00 0.00 97.65 0.14 80 F E E 4.63 25.27 22.90 48.31 121.48 -158.12 -113.99 131.81 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 81 L E E 11.31 19.49 26.99 46.08 121.93 -165.18 -115.95 132.57 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 82 F E E 6.93 22.80 23.58 46.45 117.50 -155.71 -105.27 127.73 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 83 I E E 12.38 19.05 21.67 41.09 123.49 -168.52 -118.94 135.14 0.21 99.79 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 84 S E E 22.83 14.67 18.40 33.70 123.92 -173.82 -133.24 128.17 3.21 96.78 0.01 2.23 0.47 0.10 0.00 0.01 0.00 97.11 0.07 85 E C T 127.91 4.93 19.36 25.48 92.49 -12.84 54.52 42.47 99.77 0.12 0.11 0.14 2.31 97.38 0.00 0.09 0.00 0.07 0.01 86 G C T 36.05 12.24 15.09 27.11 94.63 -52.41 80.71 1.69 99.87 0.04 0.09 0.16 2.34 97.40 0.00 0.07 0.00 0.02 0.00 87 K E E 126.29 2.44 20.73 23.65 123.07 110.38 -109.75 138.43 2.90 97.09 0.01 1.72 1.01 0.07 0.00 0.01 0.00 96.82 0.37 88 I E E 69.77 15.28 13.80 29.12 109.15 -117.14 -73.60 124.01 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 89 I E E 59.87 10.79 17.81 29.76 101.96 172.66 -101.01 -28.35 0.83 99.17 0.00 0.58 0.07 0.00 0.00 0.00 0.00 99.35 0.00 90 D E E 40.96 11.06 20.78 32.89 141.58 0.72 -157.27 152.47 0.31 99.68 0.00 0.21 0.02 0.00 0.00 0.00 0.00 99.76 0.00 91 E E E 82.52 16.27 18.13 33.67 129.70 -166.66 -137.93 136.04 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 92 V E E 24.98 16.47 17.96 35.04 125.60 -171.46 -125.67 136.11 0.66 99.34 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.34 0.03 93 L E E 87.35 8.36 21.31 30.51 122.84 -161.29 -120.20 136.43 14.22 85.76 0.03 10.77 2.80 0.20 0.00 0.02 0.00 85.98 0.23 94 G C S 29.10 7.36 21.86 30.23 127.11 25.89 98.42 -172.16 90.27 9.58 0.15 20.22 65.17 4.56 0.02 0.16 0.00 9.45 0.44 95 T C C 41.59 18.99 14.51 32.43 112.20 -58.91 -90.58 119.60 98.25 1.49 0.25 67.65 28.25 2.49 0.06 0.20 0.00 0.94 0.41 96 N C C 79.58 5.56 22.61 28.51 110.39 141.72 -112.44 101.37 99.05 0.42 0.53 95.11 3.59 0.38 0.40 0.08 0.00 0.12 0.30 97 I H H 60.17 17.13 13.27 29.80 93.91 -167.33 -60.99 -38.83 8.41 0.03 91.56 3.94 1.52 2.41 91.42 0.68 0.00 0.01 0.01 98 P H H 92.91 1.92 20.72 21.61 91.71 53.89 -63.57 -39.51 4.04 0.02 95.94 1.26 0.46 1.95 95.37 0.94 0.00 0.01 0.00 99 V H H 61.70 6.22 19.20 26.37 92.00 48.36 -65.84 -40.55 1.57 0.03 98.40 0.68 0.18 0.61 97.74 0.78 0.00 0.02 0.00 100 F H H 5.04 25.01 13.90 39.18 91.36 50.46 -63.70 -43.64 0.76 0.02 99.21 0.37 0.09 0.25 99.01 0.26 0.00 0.01 0.00 101 I H H 51.67 14.05 19.44 33.32 91.47 50.58 -62.64 -42.19 0.56 0.02 99.42 0.23 0.05 0.21 99.40 0.10 0.00 0.01 0.00 102 E H H 112.50 1.74 24.08 23.62 91.64 50.23 -64.09 -41.25 0.52 0.01 99.46 0.15 0.05 0.25 99.46 0.09 0.00 0.01 0.00 103 K H H 49.36 12.32 19.61 32.49 92.16 49.00 -65.34 -41.54 0.72 0.01 99.26 0.19 0.06 0.40 99.17 0.18 0.00 0.01 0.00 104 V H H 2.48 26.51 14.25 41.31 91.27 50.19 -64.08 -42.19 0.81 0.01 99.17 0.16 0.06 0.52 98.73 0.52 0.00 0.01 0.00 105 N H H 83.56 9.23 18.94 28.74 90.94 54.23 -64.71 -32.61 3.07 0.02 96.91 0.21 0.14 2.66 93.20 3.78 0.01 0.01 0.00 106 K H H 139.18 2.12 21.76 23.23 92.15 54.80 -72.68 -24.31 18.54 0.02 81.44 0.34 0.46 18.84 77.19 3.13 0.02 0.01 0.01 107 Y H H 55.99 16.22 15.70 31.74 100.46 40.14 -101.92 -8.95 34.80 0.11 65.09 1.39 2.32 30.81 62.42 2.89 0.05 0.04 0.08 108 I C S 30.05 20.18 12.11 31.47 116.51 84.55 -100.76 125.68 94.34 3.59 2.07 32.78 60.03 1.89 1.81 0.41 0.00 1.22 1.86 109 P C C 69.60 6.57 16.49 24.27 113.32 -125.79 -69.21 146.47 91.51 6.09 2.41 84.44 3.54 3.70 1.29 0.86 0.00 4.07 2.09 110 L C C 112.24 6.78 11.60 19.97 104.88 -125.22 -77.15 55.75 89.81 6.69 3.50 83.94 1.75 4.60 1.53 1.29 0.00 4.28 2.61 111 S C C 79.72 3.48 14.08 19.04 112.51 77.97 -94.88 127.68 99.91 0.08 0.01 99.86 0.06 0.03 0.00 0.00 0.00 0.04 0.01