# 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 61.46 6.42 17.22 24.28 111.10 -137.79 -88.47 129.41 99.87 0.03 0.10 99.79 0.07 0.06 0.06 0.00 0.00 0.01 0.01 1 L H H 73.16 12.99 11.45 24.15 98.15 -146.49 -75.53 -21.06 34.81 0.28 64.91 28.27 1.25 5.41 63.02 1.80 0.00 0.12 0.13 2 E H H 121.08 3.48 15.32 19.83 96.48 70.92 -69.96 -35.83 24.40 0.29 75.32 13.84 3.75 7.08 72.94 2.15 0.01 0.12 0.12 3 S H H 57.77 4.71 17.78 23.02 96.09 50.68 -69.84 -37.51 18.85 0.33 80.82 12.01 2.71 5.03 77.41 2.55 0.00 0.15 0.13 4 I H H 19.34 19.97 14.99 34.44 93.37 50.83 -65.92 -41.61 7.68 0.12 92.20 4.04 1.36 2.70 90.54 1.27 0.01 0.05 0.05 5 N H H 50.42 14.60 18.11 32.40 92.04 52.06 -63.14 -41.17 5.74 0.06 94.21 2.81 0.87 2.14 93.45 0.68 0.00 0.02 0.02 6 S H H 60.79 2.54 23.15 24.36 91.70 50.61 -65.15 -40.91 4.08 0.03 95.89 1.71 0.59 1.73 95.49 0.45 0.00 0.01 0.01 7 R H H 77.51 11.58 21.02 32.61 91.98 50.06 -65.51 -41.24 1.40 0.01 98.59 0.46 0.16 0.67 98.51 0.20 0.00 0.00 0.00 8 L H H 3.76 25.70 15.96 41.95 91.34 50.63 -63.86 -41.99 0.52 0.00 99.47 0.15 0.05 0.24 99.47 0.09 0.00 0.00 0.00 9 Q H H 85.08 8.21 22.08 30.68 91.22 52.77 -62.18 -41.27 0.39 0.00 99.61 0.10 0.03 0.19 99.60 0.07 0.00 0.00 0.00 10 L H H 79.56 3.27 23.17 25.83 91.57 50.49 -63.94 -42.00 0.44 0.01 99.55 0.09 0.03 0.25 99.51 0.10 0.00 0.00 0.00 11 V H H 13.04 17.94 16.28 34.78 92.07 49.81 -64.45 -42.14 0.73 0.04 99.24 0.17 0.07 0.42 99.10 0.21 0.00 0.02 0.00 12 M H H 49.45 17.86 15.05 32.08 91.97 50.74 -64.56 -39.14 1.81 0.04 98.14 0.36 0.13 1.21 97.57 0.68 0.01 0.02 0.01 13 K H H 155.29 1.52 19.40 20.44 91.63 52.35 -66.66 -30.95 7.28 0.04 92.69 0.45 0.38 6.35 92.12 0.66 0.02 0.02 0.01 14 S H H 68.32 3.98 17.18 21.75 93.96 47.83 -86.04 -11.28 34.88 0.07 65.05 1.08 2.43 30.44 65.11 0.85 0.02 0.02 0.05 15 G C T 32.38 10.84 16.32 27.48 105.64 -108.85 82.36 9.82 99.13 0.63 0.24 8.98 39.16 51.01 0.05 0.15 0.00 0.58 0.07 16 K C C 97.78 9.80 21.52 31.24 115.63 100.56 -98.69 105.83 68.14 31.61 0.25 50.55 14.60 0.97 0.03 0.23 0.00 33.17 0.45 17 Y E E 36.55 21.48 17.61 38.23 128.66 72.69 -122.36 142.04 9.33 90.52 0.15 8.23 1.11 0.15 0.06 0.09 0.00 89.62 0.75 18 V E E 21.86 17.16 23.27 40.38 121.79 -160.20 -117.15 131.82 4.59 95.38 0.03 4.76 0.13 0.01 0.02 0.01 0.00 94.23 0.84 19 L E E 46.68 16.98 23.57 39.46 120.64 -157.40 -109.31 131.17 19.10 80.88 0.02 17.01 1.41 0.05 0.01 0.01 0.00 81.04 0.48 20 G C S 14.05 11.71 25.44 38.09 124.24 20.20 96.92 160.20 93.67 2.62 3.70 16.15 74.41 2.66 4.49 0.30 0.00 1.31 0.67 21 Y H H 45.34 21.50 17.17 37.63 91.96 -91.32 -61.02 -39.48 2.05 0.00 97.95 0.18 0.40 1.27 97.92 0.22 0.00 0.00 0.00 22 K H H 128.91 3.99 24.12 28.79 91.48 52.12 -62.96 -41.71 0.80 0.00 99.20 0.05 0.06 0.60 99.09 0.20 0.00 0.00 0.00 23 Q H H 73.30 7.62 23.78 31.66 91.83 47.68 -65.99 -40.51 0.22 0.00 99.78 0.02 0.01 0.14 99.67 0.16 0.00 0.00 0.00 24 S H H 1.32 26.54 16.89 44.17 91.20 50.85 -63.54 -43.44 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 25 L H H 25.93 18.59 21.77 39.61 91.29 50.17 -63.38 -42.29 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 26 K H H 109.17 2.74 26.39 28.14 91.63 50.91 -63.80 -42.10 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 27 M H H 24.21 13.78 20.21 34.97 91.46 49.76 -64.30 -42.48 0.09 0.00 99.91 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 28 I H H 4.62 25.25 14.95 40.41 91.40 49.33 -63.71 -43.15 0.20 0.00 99.80 0.01 0.00 0.16 99.68 0.15 0.00 0.00 0.00 29 R H H 124.40 8.87 19.45 28.91 91.14 51.42 -64.27 -34.19 1.96 0.00 98.04 0.02 0.03 2.01 97.72 0.21 0.00 0.00 0.00 30 Q C T 117.03 2.49 20.12 22.13 92.10 52.41 -83.59 -6.16 73.80 0.01 26.19 0.15 0.66 72.73 26.05 0.40 0.00 0.00 0.01 31 G C T 38.00 11.05 15.53 26.98 95.35 -112.62 80.01 10.85 99.78 0.00 0.22 0.44 1.62 97.83 0.08 0.03 0.00 0.00 0.00 32 K C S 110.67 5.89 21.92 28.53 94.53 122.78 -82.86 -16.85 99.74 0.22 0.05 42.32 56.28 1.18 0.01 0.03 0.00 0.08 0.10 33 A C C 4.34 25.19 12.91 38.15 122.04 65.72 -106.11 139.27 93.61 6.35 0.03 84.92 8.16 0.28 0.00 0.04 0.00 6.33 0.27 34 K C S 90.09 9.53 26.56 37.20 99.97 -168.93 -96.25 -27.39 92.34 7.65 0.01 16.85 75.18 0.18 0.00 0.00 0.00 7.70 0.09 35 L E E 10.43 21.22 26.44 46.93 135.65 16.24 -144.57 143.72 1.79 98.20 0.00 1.35 0.35 0.01 0.00 0.00 0.00 98.24 0.04 36 V E E 1.13 27.18 26.88 53.95 121.33 -162.85 -118.80 128.46 0.11 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 37 I E E 2.06 25.82 29.26 54.41 117.14 -163.46 -110.87 125.02 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 38 L E E 5.48 24.23 26.94 49.94 127.60 -173.33 -120.79 142.60 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 39 A E E 4.77 22.32 20.65 43.29 115.21 -118.19 -75.04 143.88 24.30 75.68 0.01 23.58 0.54 0.04 0.00 0.01 0.00 75.56 0.27 40 N C T 71.28 11.06 22.26 33.72 93.29 -125.43 -65.91 -23.85 90.55 9.00 0.45 3.58 23.82 63.86 0.02 0.48 0.00 7.83 0.42 41 N C T 94.67 5.44 22.42 28.68 95.09 57.33 -91.33 6.61 97.80 1.86 0.33 6.93 30.29 60.66 0.02 0.40 0.00 1.49 0.22 42 C C S 11.03 23.40 9.00 31.33 118.02 119.71 -76.05 144.39 97.72 2.04 0.24 47.15 50.34 0.45 0.10 0.09 0.00 0.65 1.20 43 P C C 61.25 4.43 18.33 23.56 114.04 -102.40 -63.42 148.26 99.39 0.25 0.35 98.59 0.69 0.26 0.19 0.05 0.00 0.08 0.15 44 A H H 80.73 3.74 13.63 19.34 91.78 -111.94 -57.72 -37.00 20.66 0.07 79.27 2.19 2.41 14.11 58.26 22.91 0.04 0.03 0.05 45 L H H 122.81 1.45 16.79 17.70 91.36 56.32 -65.97 -30.98 17.62 0.08 82.30 1.49 1.73 12.67 61.68 22.28 0.06 0.04 0.05 46 R H H 68.21 14.51 14.12 28.48 94.83 47.65 -81.82 -21.88 13.51 0.12 86.37 2.49 1.47 8.05 63.60 24.25 0.02 0.07 0.04 47 K H H 64.42 17.43 14.36 30.76 92.16 69.68 -60.67 -42.56 5.23 0.04 94.73 1.56 0.73 2.59 92.28 2.80 0.00 0.01 0.01 48 S H H 66.33 2.10 22.78 23.32 91.78 51.15 -64.19 -40.31 5.41 0.02 94.57 0.81 0.45 3.64 92.44 2.63 0.01 0.01 0.01 49 E H H 78.61 7.49 22.02 29.89 91.61 50.14 -64.94 -41.10 2.69 0.02 97.30 0.59 0.24 1.66 96.09 1.40 0.00 0.01 0.00 50 I H H 2.40 26.53 15.48 42.64 91.29 49.86 -64.58 -42.83 0.43 0.00 99.56 0.11 0.04 0.20 99.52 0.13 0.00 0.00 0.00 51 E H H 78.77 12.44 21.66 33.56 91.50 52.05 -62.07 -42.09 0.11 0.00 99.89 0.02 0.00 0.05 99.89 0.03 0.00 0.00 0.00 52 Y H H 128.57 2.12 25.10 25.35 91.60 49.71 -63.62 -42.52 0.07 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 53 Y H H 39.17 14.68 20.59 35.57 92.09 48.70 -64.78 -42.43 0.07 0.00 99.93 0.00 0.00 0.05 99.89 0.05 0.00 0.00 0.00 54 A H H 3.98 23.39 14.39 38.02 91.42 50.47 -63.39 -42.25 0.20 0.00 99.80 0.01 0.01 0.15 99.70 0.12 0.00 0.00 0.00 55 M H H 114.69 3.89 20.50 25.09 91.81 49.77 -64.33 -40.62 0.88 0.00 99.12 0.03 0.03 0.80 98.82 0.32 0.00 0.00 0.00 56 L H H 103.81 3.85 19.82 24.03 91.56 51.15 -65.78 -35.12 4.21 0.00 95.78 0.09 0.15 3.89 95.60 0.27 0.00 0.00 0.00 57 A H H 25.39 15.67 14.31 30.40 94.25 48.18 -85.83 -5.82 43.95 0.08 55.97 1.50 3.71 36.66 57.33 0.71 0.02 0.02 0.07 58 K C T 160.26 1.89 20.98 22.91 93.93 -124.30 58.46 39.05 99.38 0.06 0.56 7.45 6.33 85.73 0.34 0.11 0.00 0.03 0.02 59 T C C 21.18 20.17 13.42 33.06 126.11 136.22 -116.44 151.71 97.24 2.70 0.05 79.55 16.89 0.68 0.01 0.04 0.00 2.66 0.16 60 G E E 29.01 7.48 25.34 33.32 116.44 -112.19 -79.84 148.55 46.95 52.98 0.07 41.33 3.27 0.37 0.01 0.06 0.00 54.54 0.42 61 V E E 27.99 23.30 15.29 37.88 123.71 -157.40 -118.40 131.73 6.99 93.00 0.01 6.61 0.27 0.01 0.00 0.00 0.00 92.72 0.38 62 H E E 59.50 12.83 23.66 36.38 120.46 -165.00 -111.34 130.34 1.19 98.81 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.82 0.06 63 H E E 88.51 13.85 21.47 34.67 118.52 -151.80 -102.68 129.35 2.65 97.34 0.01 2.50 0.09 0.01 0.00 0.00 0.00 97.27 0.12 64 Y E E 44.06 18.92 14.66 33.11 124.26 -171.10 -116.18 138.47 29.56 70.36 0.08 28.12 1.04 0.12 0.02 0.04 0.00 69.91 0.74 65 S C C 78.58 4.13 20.58 25.46 108.57 -167.36 -105.48 62.93 74.76 25.02 0.22 44.31 26.71 2.91 0.04 0.21 0.00 25.22 0.61 66 G C S 29.73 8.12 18.91 27.75 137.55 71.92 137.00 -174.23 92.21 7.28 0.51 17.47 70.49 4.37 0.12 0.34 0.00 6.35 0.85 67 N C C 78.22 6.55 22.31 28.95 121.53 -63.36 -99.04 145.63 95.56 2.40 2.03 87.44 6.97 1.17 1.70 0.40 0.00 1.25 1.07 68 N H H 37.21 21.03 14.51 34.59 93.69 -131.02 -63.24 -35.37 8.16 0.06 91.78 2.38 2.09 3.71 90.55 1.22 0.01 0.02 0.03 69 I H H 89.61 7.28 21.39 29.03 92.41 54.88 -64.70 -40.61 4.03 0.04 95.92 0.75 0.57 2.62 94.76 1.24 0.02 0.02 0.01 70 E H H 93.65 4.55 23.50 27.92 92.42 49.07 -66.15 -40.23 2.23 0.05 97.72 0.57 0.30 1.36 96.34 1.38 0.01 0.03 0.01 71 L H H 7.08 21.84 15.98 38.09 92.04 51.86 -63.99 -42.86 1.13 0.02 98.85 0.23 0.15 0.69 98.05 0.87 0.00 0.01 0.00 72 G H H 8.26 15.67 16.30 32.95 91.70 51.51 -63.14 -42.22 2.03 0.03 97.94 0.38 0.21 1.33 96.90 1.16 0.00 0.01 0.00 73 T H H 90.31 2.37 20.97 22.73 92.14 50.25 -65.74 -40.33 2.71 0.03 97.26 0.37 0.24 1.97 95.34 2.05 0.01 0.02 0.00 74 A H H 48.01 10.31 17.21 28.10 92.22 52.72 -67.26 -33.94 6.91 0.04 93.06 0.34 0.47 6.10 91.32 1.71 0.02 0.01 0.01 75 C C T 29.27 16.63 14.07 30.71 94.70 39.76 -90.80 -4.31 54.99 0.07 44.94 0.69 2.05 51.98 43.16 2.01 0.02 0.02 0.06 76 G C T 59.30 1.48 19.85 20.25 94.41 -113.53 77.55 15.10 99.29 0.03 0.68 2.96 4.88 91.66 0.29 0.19 0.00 0.01 0.01 77 K C C 71.09 11.59 11.20 23.74 129.31 115.52 -116.63 155.67 98.64 0.79 0.58 53.18 43.03 2.38 0.17 0.36 0.00 0.26 0.61 78 Y C S 172.85 2.62 17.53 20.92 97.81 -135.26 -83.16 -9.90 97.19 1.48 1.33 45.08 47.27 4.92 0.26 1.05 0.00 0.68 0.75 79 Y C S 84.67 11.09 17.80 29.48 130.28 60.68 -124.81 154.63 94.57 3.46 1.97 42.08 45.97 6.65 0.32 1.73 0.00 2.10 1.13 80 R C C 98.18 12.39 23.01 34.78 113.64 -104.73 -78.77 131.62 87.63 10.54 1.83 64.22 18.69 4.54 0.35 1.74 0.00 8.29 2.17 81 V C C 9.71 24.00 19.43 43.22 120.04 -157.58 -111.33 132.53 69.83 29.81 0.36 62.55 6.12 0.64 0.11 0.29 0.00 27.44 2.84 82 C C C 20.50 18.60 26.18 44.07 100.79 172.85 -94.94 -28.12 64.85 35.02 0.13 39.08 25.59 0.64 0.02 0.11 0.00 34.10 0.47 83 T E E 8.68 22.20 27.25 48.87 133.48 15.98 -140.36 142.32 9.73 90.16 0.11 8.38 1.15 0.12 0.03 0.06 0.00 89.94 0.32 84 L E E 2.29 26.71 26.48 52.76 125.50 -167.73 -125.21 134.86 1.53 98.46 0.02 1.43 0.08 0.01 0.01 0.01 0.00 98.40 0.08 85 S E E 8.30 21.14 28.45 48.67 121.00 -161.66 -112.37 131.76 0.88 99.11 0.01 0.79 0.03 0.00 0.00 0.00 0.00 99.14 0.03 86 I E E 7.42 23.96 21.55 45.54 113.77 -151.58 -99.39 121.73 3.45 96.54 0.01 3.38 0.09 0.01 0.01 0.00 0.00 96.24 0.27 87 I C E 57.38 13.12 23.11 36.08 99.40 -175.08 -90.16 -26.82 63.74 36.15 0.10 31.00 32.26 0.96 0.02 0.08 0.00 35.14 0.53 88 D C S 65.23 7.73 21.94 30.35 117.30 35.32 -128.08 110.68 91.53 7.96 0.51 26.90 61.66 2.72 0.17 0.26 0.00 7.52 0.77 89 P C T 56.50 15.44 14.43 29.71 95.84 -150.36 -64.23 -23.44 64.88 1.84 33.28 16.07 11.55 36.76 18.42 15.15 0.07 1.13 0.85 90 G C T 42.48 4.81 20.39 25.69 94.95 63.19 -60.99 -31.72 59.03 1.01 39.96 11.53 9.49 36.60 24.39 16.76 0.08 0.53 0.62 91 D H H 50.15 12.75 16.69 29.80 96.53 53.48 -88.39 -6.80 43.64 1.16 55.20 21.74 7.22 14.38 35.79 19.70 0.03 0.59 0.55 92 S H H 17.91 20.65 12.17 31.80 95.76 80.22 -69.47 -33.11 29.61 0.91 69.48 11.52 5.44 12.26 49.78 20.07 0.07 0.49 0.36 93 D H H 99.68 3.02 21.17 24.14 94.14 67.57 -69.71 -25.38 29.01 1.03 69.96 9.01 5.22 14.26 51.62 18.77 0.12 0.63 0.36 94 I H H 69.85 9.67 17.38 27.73 94.91 62.54 -70.30 -32.20 31.15 2.41 66.44 10.37 6.52 15.04 51.13 14.26 0.29 1.66 0.72 95 I H H 28.51 20.93 12.15 31.53 98.76 57.34 -80.00 -18.68 36.04 10.16 53.80 16.07 8.85 14.39 43.63 6.85 0.69 6.52 3.00 96 R C C 133.27 7.63 14.32 22.98 105.07 71.92 -83.68 22.95 63.30 7.21 29.50 45.66 2.69 13.82 27.82 2.70 0.01 4.45 2.83 97 S C C 77.55 4.15 14.74 20.26 107.78 65.49 -84.26 108.60 99.88 0.08 0.04 99.75 0.07 0.09 0.03 0.00 0.00 0.04 0.01