# 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 117.83 5.07 11.91 18.48 115.36 -151.77 -90.79 134.43 99.85 0.12 0.03 99.80 0.08 0.04 0.01 0.00 0.00 0.06 0.02 1 A C C 70.48 5.61 9.07 16.38 114.11 -125.92 -82.06 141.07 90.55 5.58 3.87 87.00 0.97 3.74 1.68 1.22 0.00 3.64 1.73 2 K C C 151.72 2.21 10.45 14.24 111.85 -134.32 -89.50 129.57 83.27 11.12 5.61 60.02 14.63 8.52 2.17 3.46 0.00 8.36 2.84 3 R C C 150.58 4.51 9.77 16.25 117.51 -149.99 -101.37 133.59 80.37 13.97 5.66 63.12 11.50 5.24 2.49 3.33 0.00 10.07 4.25 4 T C C 74.40 7.84 9.51 18.68 117.93 -145.50 -96.31 142.42 82.37 12.53 5.09 70.83 7.68 3.47 2.86 2.25 0.00 9.40 3.52 5 K C C 144.71 2.94 13.09 17.62 111.92 -134.01 -90.01 134.00 81.36 11.91 6.72 57.73 18.33 5.41 4.32 2.56 0.02 9.08 2.57 6 K C C 136.04 4.50 11.70 18.16 113.99 -117.11 -85.86 129.78 77.69 14.62 7.69 58.63 13.29 5.23 5.27 2.82 0.02 11.14 3.61 7 V C C 83.49 7.08 10.38 18.98 115.31 -170.67 -108.49 131.10 75.00 14.22 10.77 55.80 12.13 5.97 8.61 3.05 0.02 9.29 5.13 8 G C C 41.76 4.00 14.49 19.52 118.65 3.90 88.05 -163.24 70.42 7.47 22.11 33.18 18.88 19.07 14.08 7.54 0.12 4.87 2.26 9 I C T 106.92 5.09 13.48 19.72 98.17 -20.17 -74.86 -19.76 65.31 5.61 29.08 17.76 18.34 30.38 17.82 9.94 0.35 3.19 2.22 10 V C T 71.43 8.55 11.62 21.14 100.22 60.32 -75.49 -28.66 59.93 8.65 31.42 14.86 15.33 30.28 18.13 11.92 0.94 4.86 3.68 11 G C C 37.67 6.83 12.98 21.06 98.32 59.61 -65.79 -34.07 57.76 9.21 33.03 24.05 12.98 21.79 13.42 18.58 0.20 5.83 3.16 12 K C T 142.47 2.82 14.55 18.21 95.80 49.04 -76.34 -22.40 60.81 9.68 29.52 16.11 14.80 30.94 10.86 17.40 0.38 6.45 3.06 13 Y C T 131.22 6.06 12.53 19.78 101.92 49.60 -96.00 1.63 64.28 12.23 23.49 21.88 15.72 28.34 9.35 12.68 0.38 7.44 4.22 14 G C C 35.03 6.97 12.81 21.01 121.00 115.80 -84.73 174.32 83.91 10.97 5.12 51.99 22.41 9.74 1.99 3.08 0.01 7.06 3.72 15 T C C 81.22 6.56 11.81 19.76 113.19 -75.08 -91.86 133.93 80.53 12.36 7.11 48.16 18.54 13.99 2.40 4.74 0.02 8.07 4.08 16 R C C 170.45 2.37 12.70 16.23 100.90 -155.15 -83.06 5.42 81.49 10.26 8.24 39.67 22.41 20.47 2.70 5.14 0.02 6.54 3.03 17 Y C C 145.19 4.39 11.30 17.07 106.79 59.18 -96.49 45.23 80.90 9.59 9.51 37.00 26.86 18.09 4.24 4.70 0.04 5.30 3.77 18 G C C 31.61 4.78 13.55 19.87 125.06 -67.11 106.49 170.56 86.63 5.21 8.16 65.03 16.17 4.88 6.63 2.05 0.00 2.67 2.57 19 A H H 70.23 4.20 12.03 17.67 93.65 -94.52 -63.16 -35.05 8.76 0.11 91.12 3.56 2.07 3.17 90.05 1.04 0.01 0.05 0.05 20 S H H 74.81 1.61 15.40 16.57 92.02 54.95 -64.74 -39.55 4.08 0.06 95.86 1.22 0.58 2.24 94.79 1.11 0.01 0.03 0.02 21 L H H 69.78 5.87 13.99 21.53 92.16 49.79 -66.35 -39.67 1.40 0.03 98.57 0.51 0.18 0.69 97.67 0.92 0.00 0.02 0.00 22 R H H 86.69 9.75 13.44 24.20 91.95 52.58 -63.91 -40.61 0.70 0.01 99.29 0.25 0.08 0.32 99.04 0.30 0.00 0.01 0.00 23 K H H 112.97 2.81 17.84 20.78 91.93 51.10 -64.86 -40.37 0.73 0.01 99.26 0.21 0.07 0.36 99.20 0.15 0.00 0.00 0.00 24 M H H 95.38 2.96 18.33 21.19 91.95 50.12 -64.68 -41.50 0.72 0.01 99.28 0.17 0.06 0.38 99.28 0.11 0.00 0.00 0.00 25 V H H 44.41 9.69 15.65 26.71 92.27 49.83 -64.62 -41.92 0.51 0.01 99.48 0.11 0.04 0.26 99.50 0.07 0.00 0.00 0.00 26 K H H 91.37 8.18 17.06 26.04 91.95 51.58 -63.61 -40.94 0.68 0.01 99.31 0.14 0.05 0.36 99.35 0.09 0.00 0.00 0.00 27 K H H 120.72 2.84 18.84 21.75 91.96 50.19 -64.88 -40.61 1.29 0.01 98.70 0.20 0.10 0.80 98.73 0.15 0.00 0.00 0.00 28 I H H 77.11 5.45 17.67 24.07 92.76 48.85 -66.49 -41.28 2.33 0.04 97.63 0.47 0.26 1.38 97.60 0.26 0.01 0.02 0.01 29 E H H 63.57 9.54 16.01 26.64 92.52 51.08 -65.00 -41.00 3.76 0.10 96.14 1.31 0.42 1.90 95.37 0.92 0.01 0.06 0.02 30 I H H 73.92 6.25 16.59 24.10 92.50 49.21 -65.89 -40.11 5.40 0.13 94.47 1.47 0.64 3.21 91.65 2.88 0.02 0.08 0.04 31 S H H 52.41 5.45 15.79 22.53 92.92 51.31 -68.13 -33.27 9.97 0.12 89.90 1.96 0.99 6.76 85.19 4.95 0.03 0.07 0.05 32 Q H H 92.67 7.68 14.83 23.64 93.36 59.02 -69.64 -24.41 28.81 0.19 71.00 2.08 2.34 23.91 65.60 5.80 0.07 0.08 0.11 33 H H H 115.65 5.59 15.17 21.78 98.47 46.74 -97.87 -2.04 48.12 0.49 51.39 4.63 5.56 37.02 47.41 4.75 0.10 0.22 0.32 34 A C C 43.79 10.04 11.79 23.25 115.02 106.24 -77.26 142.54 86.66 3.39 9.95 63.73 15.63 7.06 7.46 2.77 0.00 1.76 1.56 35 K C C 144.56 3.31 17.02 21.32 110.54 -134.07 -87.30 116.22 84.07 12.58 3.35 62.46 16.95 4.77 1.64 1.70 0.00 9.75 2.72 36 Y E E 71.80 12.89 12.89 26.56 127.12 97.81 -120.84 147.23 48.81 49.42 1.76 34.50 12.54 2.80 0.85 1.14 0.01 41.58 6.58 37 T E B 75.14 5.66 18.87 25.58 121.99 -144.43 -112.22 137.53 20.20 79.51 0.28 17.76 1.10 0.10 0.25 0.07 0.00 32.44 48.27 38 C C C 14.73 18.65 9.72 28.71 109.82 -116.37 -72.79 126.31 92.99 6.96 0.05 93.22 0.73 0.10 0.01 0.02 0.00 4.71 1.21 39 S C T 77.24 3.29 17.01 21.15 92.56 -148.70 -70.38 -23.14 99.31 0.34 0.36 0.90 9.15 89.27 0.02 0.33 0.00 0.22 0.11 40 F C T 117.57 5.88 14.91 21.85 100.13 45.62 -82.73 -40.31 99.55 0.12 0.33 0.15 4.37 95.12 0.01 0.27 0.00 0.05 0.03 41 C C T 64.22 5.95 13.17 20.74 102.99 18.76 -109.18 -13.52 99.57 0.12 0.30 0.36 4.64 94.62 0.01 0.29 0.00 0.06 0.03 42 G C C 49.75 3.14 14.71 18.89 95.39 -120.33 79.80 6.03 98.28 1.51 0.21 73.34 19.71 5.15 0.05 0.19 0.00 0.72 0.84 43 K C C 89.62 6.72 13.54 22.10 118.60 137.26 -79.24 145.51 89.99 9.85 0.15 73.50 16.65 0.48 0.06 0.11 0.00 4.95 4.26 44 T E E 75.99 8.73 15.57 25.21 111.36 -133.46 -97.94 106.11 29.64 70.15 0.21 25.19 3.64 0.22 0.14 0.10 0.00 38.57 32.12 45 K C C 89.90 7.95 19.97 28.60 130.45 157.56 -126.25 150.64 55.86 44.09 0.05 47.84 6.57 0.23 0.01 0.05 0.00 44.62 0.69 46 M E E 30.73 20.74 13.36 33.49 124.85 -138.58 -112.56 141.06 18.91 81.05 0.03 18.22 0.76 0.06 0.01 0.02 0.00 79.73 1.20 47 K E E 94.97 6.58 22.69 29.90 126.17 -166.62 -123.07 141.29 3.96 96.03 0.00 3.81 0.13 0.01 0.00 0.00 0.00 95.80 0.25 48 R E E 99.18 14.01 14.13 28.18 110.18 -116.72 -77.71 124.52 3.91 96.08 0.01 3.72 0.14 0.01 0.00 0.00 0.00 95.73 0.39 49 R E E 120.88 6.25 17.88 25.32 100.98 177.52 -98.20 -25.88 27.62 72.30 0.08 22.89 3.53 0.31 0.01 0.06 0.00 72.86 0.32 50 A E E 43.33 5.59 19.52 25.88 139.48 -10.43 -158.57 165.74 36.79 62.49 0.72 6.85 19.23 13.43 0.05 0.74 0.00 58.34 1.35 51 V C T 82.25 8.60 18.43 27.54 108.73 -57.02 -62.51 128.95 98.80 0.69 0.51 1.99 14.61 82.17 0.03 0.60 0.00 0.49 0.11 52 G C T 16.62 14.45 18.30 32.90 96.56 7.10 86.64 -2.61 98.89 0.82 0.28 2.19 15.37 81.24 0.01 0.39 0.00 0.75 0.06 53 I E E 34.71 12.01 20.05 33.72 122.80 111.42 -113.30 134.00 7.81 92.19 0.00 6.91 0.36 0.01 0.00 0.00 0.00 92.55 0.17 54 W E E 22.09 19.07 18.25 37.78 129.23 -172.44 -124.72 145.52 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 55 H E E 56.22 10.20 23.73 34.66 125.31 -155.71 -119.04 138.89 0.18 99.82 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.77 0.04 56 C E E 9.40 18.71 13.74 33.68 109.95 -121.44 -76.96 125.81 12.52 87.47 0.01 12.34 0.28 0.02 0.00 0.00 0.00 87.01 0.35 57 G C T 32.19 7.91 18.13 27.45 94.76 -152.21 -68.40 -31.79 97.26 0.22 2.52 0.45 5.04 91.05 0.03 3.26 0.00 0.14 0.04 58 S C T 69.29 4.68 17.21 22.78 98.12 43.46 -77.48 -38.18 97.78 0.05 2.17 0.10 2.45 95.06 0.02 2.34 0.00 0.02 0.01 59 C C T 62.39 6.12 14.61 22.17 101.27 21.38 -104.87 -8.86 98.59 0.07 1.34 0.26 2.60 95.52 0.02 1.55 0.00 0.03 0.02 60 M C C 121.94 5.68 14.17 21.75 94.04 -125.39 65.56 23.89 98.16 1.50 0.34 57.43 7.87 32.85 0.07 0.27 0.00 1.28 0.23 61 K C C 100.94 4.98 16.35 22.99 119.94 141.58 -85.69 146.94 66.98 33.00 0.02 64.16 1.85 0.08 0.00 0.02 0.00 33.29 0.60 62 T E E 80.67 8.10 16.84 26.28 117.89 -118.76 -89.15 135.23 0.79 99.21 0.00 0.83 0.02 0.00 0.00 0.00 0.00 98.18 0.96 63 V E E 34.67 16.50 13.70 30.32 126.41 -171.40 -123.37 141.43 1.60 98.39 0.00 1.57 0.04 0.00 0.00 0.00 0.00 98.19 0.19 64 A E E 65.53 6.14 19.60 26.44 117.20 -130.46 -89.17 142.69 35.45 64.40 0.15 27.19 6.49 0.94 0.02 0.14 0.00 64.79 0.43 65 G C C 32.28 7.84 18.80 27.45 130.97 36.07 131.66 -176.60 73.20 25.84 0.96 39.37 27.65 6.86 0.12 1.00 0.00 23.68 1.32 66 G C C 30.13 10.26 17.64 28.13 126.12 -85.56 109.59 163.54 80.17 16.51 3.32 52.39 18.86 9.33 0.56 3.22 0.01 12.59 3.04 67 A C S 50.47 12.83 15.29 27.85 100.65 -77.26 -77.33 -14.00 81.84 12.06 6.10 29.10 30.48 23.56 0.93 5.22 0.02 7.68 3.01 68 W C S 147.62 7.95 17.40 25.51 101.98 49.11 -91.49 0.15 79.40 14.31 6.29 26.99 31.46 22.36 1.36 4.78 0.06 8.33 4.67 69 T C C 68.25 6.49 17.65 25.05 121.10 72.09 -111.78 134.44 82.99 12.01 5.00 47.58 23.46 12.37 1.39 3.75 0.02 6.98 4.45 70 Y C C 118.73 11.44 13.16 24.69 100.28 -138.84 -75.47 -10.10 89.39 6.16 4.46 33.70 25.08 31.58 1.31 2.80 0.01 3.51 2.02 71 N C C 105.87 4.52 16.36 21.86 103.82 62.34 -96.47 48.81 92.88 3.11 4.01 41.59 23.67 28.20 1.15 2.57 0.00 1.59 1.22 72 T C C 46.81 9.99 12.28 23.64 121.59 131.68 -96.66 154.49 84.41 4.38 11.21 48.09 32.85 3.28 9.94 1.60 0.01 1.29 2.94 73 T H H 97.40 3.00 17.74 20.91 93.00 -113.58 -62.42 -34.12 23.54 0.54 75.93 7.36 6.63 11.32 71.60 2.52 0.08 0.25 0.23 74 S H H 47.78 8.31 17.36 26.55 92.40 55.38 -65.69 -38.15 17.65 0.44 81.90 5.69 3.04 9.69 78.65 2.46 0.06 0.25 0.17 75 A H H 17.51 14.87 14.61 30.28 92.51 53.13 -65.15 -40.53 6.29 0.19 93.52 3.19 1.03 2.44 91.54 1.64 0.01 0.11 0.04 76 V H H 69.08 5.89 19.71 26.10 91.97 50.94 -65.07 -41.67 2.64 0.11 97.25 1.32 0.40 0.99 96.62 0.60 0.00 0.06 0.02 77 T H H 70.33 3.93 21.22 24.95 92.13 49.48 -65.37 -41.87 2.03 0.10 97.87 0.98 0.27 0.80 97.53 0.35 0.00 0.06 0.01 78 V H H 38.21 12.65 17.82 31.14 92.31 48.84 -65.03 -42.33 1.03 0.03 98.94 0.39 0.12 0.44 98.86 0.17 0.00 0.02 0.00 79 K H H 91.63 8.80 19.66 28.89 91.90 50.85 -63.33 -41.45 0.64 0.01 99.35 0.21 0.06 0.28 99.35 0.10 0.00 0.00 0.00 80 S H H 52.69 3.10 20.68 23.43 91.41 50.27 -64.01 -41.90 0.58 0.00 99.42 0.16 0.04 0.27 99.44 0.07 0.00 0.00 0.00 81 A H H 38.20 6.21 18.13 25.69 91.69 50.69 -64.43 -41.99 0.37 0.00 99.62 0.08 0.03 0.19 99.65 0.05 0.00 0.00 0.00 82 I H H 53.46 9.63 16.51 27.35 91.84 49.89 -64.18 -41.97 0.26 0.00 99.74 0.05 0.02 0.14 99.76 0.04 0.00 0.00 0.00 83 R H H 125.81 2.91 18.69 21.61 91.57 50.21 -63.82 -41.52 0.24 0.00 99.75 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 84 R H H 130.34 2.08 17.70 19.27 91.65 49.78 -64.62 -41.32 0.44 0.00 99.56 0.06 0.02 0.26 99.58 0.06 0.00 0.00 0.00 85 L H H 64.92 5.62 14.64 21.80 91.92 50.09 -64.65 -41.03 0.61 0.00 99.39 0.09 0.04 0.37 99.40 0.10 0.00 0.00 0.00 86 E H H 93.19 3.59 14.37 19.07 91.79 50.87 -64.10 -40.92 1.22 0.00 98.78 0.20 0.09 0.76 98.72 0.23 0.00 0.00 0.00 87 E H H 109.73 1.53 13.74 15.07 91.73 50.39 -65.04 -39.99 3.42 0.01 96.58 0.47 0.24 2.35 96.43 0.48 0.00 0.00 0.00 88 L H H 99.36 2.24 11.44 14.62 92.46 50.08 -67.38 -36.79 8.35 0.03 91.61 1.55 0.82 5.58 90.97 1.05 0.01 0.01 0.02 89 K H H 137.91 2.25 9.99 13.45 93.08 52.92 -69.64 -29.58 24.02 0.16 75.83 4.04 2.53 17.07 74.96 1.22 0.02 0.05 0.10 90 D C H 116.49 1.16 9.41 11.13 97.18 52.80 -83.02 -5.95 58.99 0.19 40.83 20.66 1.41 33.33 43.32 1.10 0.00 0.06 0.12 91 Q C C 129.50 2.47 9.86 13.94 103.68 97.69 -79.48 50.19 99.88 0.03 0.09 99.59 0.14 0.17 0.07 0.00 0.00 0.01 0.01