# 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 113.91 6.20 13.24 20.63 113.97 -164.33 -93.48 129.89 99.90 0.07 0.03 99.84 0.07 0.04 0.01 0.00 0.00 0.03 0.01 1 V C C 94.57 5.84 9.94 17.35 113.56 -141.79 -89.90 131.79 85.17 3.89 10.94 80.92 1.23 4.02 8.11 1.90 0.00 2.22 1.61 2 A C C 70.55 4.66 10.10 16.52 114.82 -129.38 -85.80 140.46 81.86 4.90 13.24 65.08 9.35 7.18 9.75 3.80 0.00 3.11 1.73 3 A C C 68.73 5.97 9.83 17.45 112.57 -114.61 -80.51 138.66 79.11 4.12 16.77 60.85 10.79 7.11 12.66 4.63 0.00 2.64 1.33 4 K C C 136.75 3.85 11.48 17.16 112.93 -135.12 -89.35 132.20 75.95 4.44 19.61 57.43 11.64 6.26 16.48 4.04 0.01 2.71 1.43 5 K C C 126.74 5.45 11.68 18.79 112.83 -124.61 -86.00 131.41 74.71 4.59 20.71 59.78 8.79 5.35 18.45 3.39 0.00 2.79 1.44 6 T C C 72.10 7.66 11.58 20.51 113.97 -152.50 -94.98 133.25 76.13 3.08 20.78 62.62 7.19 5.14 19.58 2.69 0.00 1.79 0.98 7 K C C 124.13 6.33 13.19 20.85 103.56 -133.87 -77.86 6.09 63.27 1.88 34.84 46.88 8.81 6.42 33.26 3.01 0.00 0.98 0.63 8 K C H 125.57 4.41 15.49 20.88 102.31 61.84 -77.57 -24.27 51.54 1.12 47.35 35.42 7.95 7.92 44.35 3.40 0.00 0.56 0.38 9 S H H 45.86 9.34 15.78 25.93 104.48 52.63 -77.61 -34.56 42.49 0.95 56.56 29.65 6.15 7.44 52.33 3.61 0.00 0.47 0.36 10 L H H 51.86 16.36 14.44 29.94 95.26 52.43 -69.14 -33.47 21.62 0.47 77.91 13.92 3.88 5.26 73.44 3.10 0.01 0.22 0.18 11 E H H 106.31 4.76 19.71 24.88 93.22 58.83 -65.56 -40.18 15.07 0.33 84.59 8.80 2.70 4.28 81.77 2.16 0.01 0.16 0.12 12 S H H 49.11 6.03 20.87 27.29 93.01 50.56 -66.46 -40.32 15.65 0.44 83.91 9.64 2.34 4.55 80.99 2.09 0.01 0.22 0.16 13 I H H 11.74 21.98 16.90 38.55 92.55 49.89 -65.11 -43.37 6.95 0.15 92.89 3.39 1.21 2.73 91.33 1.18 0.01 0.07 0.07 14 N H H 48.13 15.58 19.91 34.78 91.71 51.26 -62.75 -41.99 5.50 0.09 94.40 2.39 0.81 2.36 93.54 0.81 0.01 0.04 0.04 15 S H H 61.65 2.59 24.42 25.69 91.73 50.12 -64.78 -41.10 5.87 0.07 94.06 1.94 0.79 3.05 93.44 0.71 0.01 0.03 0.04 16 R H H 73.91 12.17 21.76 33.75 91.96 49.54 -65.59 -41.04 2.53 0.02 97.45 0.84 0.31 1.29 97.22 0.32 0.00 0.01 0.01 17 L H H 2.73 26.36 16.24 43.08 91.27 50.85 -63.59 -42.28 0.72 0.00 99.28 0.22 0.07 0.35 99.25 0.10 0.00 0.00 0.00 18 Q H H 83.95 8.79 22.32 31.42 91.19 52.68 -62.08 -41.38 0.40 0.00 99.59 0.12 0.03 0.19 99.58 0.07 0.00 0.00 0.00 19 L H H 81.11 3.31 23.58 26.21 91.62 50.58 -64.07 -42.07 0.39 0.01 99.61 0.09 0.03 0.21 99.57 0.09 0.00 0.00 0.00 20 V H H 12.69 17.74 16.67 35.08 92.17 49.68 -64.53 -42.41 0.57 0.02 99.41 0.13 0.05 0.33 99.31 0.17 0.00 0.01 0.00 21 M H H 45.88 18.12 15.12 32.42 92.05 50.56 -64.31 -40.40 1.36 0.02 98.61 0.22 0.09 0.93 98.21 0.52 0.01 0.01 0.00 22 K H H 153.11 1.72 19.38 20.94 91.22 52.81 -66.35 -31.02 6.94 0.03 93.04 0.36 0.32 6.12 92.57 0.59 0.02 0.01 0.01 23 S C T 66.99 4.25 17.20 22.17 92.95 50.81 -83.97 -10.01 53.04 0.07 46.89 0.79 2.11 48.74 47.31 0.96 0.02 0.02 0.06 24 G C T 34.77 10.70 16.31 27.37 98.24 -107.68 83.87 10.56 99.64 0.14 0.22 3.80 14.22 81.71 0.06 0.09 0.00 0.10 0.03 25 K C C 95.46 10.15 21.01 31.07 99.76 115.64 -94.53 10.93 88.52 11.31 0.16 52.97 33.49 1.35 0.02 0.17 0.00 11.61 0.38 26 Y E E 32.09 21.41 17.55 38.23 130.73 65.63 -128.92 144.45 14.48 85.31 0.20 11.60 3.16 0.38 0.06 0.15 0.00 83.38 1.27 27 V E E 21.47 17.50 23.60 40.91 122.30 -160.67 -118.20 133.30 6.13 93.84 0.03 6.32 0.19 0.02 0.02 0.01 0.00 91.82 1.62 28 L E E 44.68 17.41 23.62 39.90 119.83 -156.92 -109.43 131.92 24.97 75.00 0.03 22.32 1.77 0.06 0.01 0.01 0.00 75.23 0.60 29 G C S 14.39 11.51 25.54 38.02 125.89 20.95 98.41 162.27 94.34 3.01 2.65 17.26 75.28 1.84 3.15 0.23 0.00 1.49 0.75 30 Y H H 44.61 21.49 17.33 37.85 92.09 -91.41 -61.14 -39.75 1.83 0.01 98.17 0.14 0.34 1.14 98.18 0.18 0.00 0.00 0.00 31 K H H 127.48 4.26 24.17 29.14 91.48 51.71 -63.09 -41.80 0.71 0.00 99.29 0.04 0.05 0.54 99.20 0.17 0.00 0.00 0.00 32 Q H H 71.84 7.90 23.84 32.01 91.82 47.63 -65.91 -40.57 0.17 0.00 99.83 0.01 0.01 0.11 99.74 0.12 0.00 0.00 0.00 33 S H H 1.22 26.69 17.02 44.51 91.13 50.85 -63.51 -43.52 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 34 L H H 24.31 18.68 21.93 39.92 91.20 50.03 -63.34 -42.60 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 35 K H H 107.19 2.91 26.51 28.55 91.57 50.68 -63.74 -42.14 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 36 M H H 23.25 13.99 20.35 35.28 91.42 49.73 -64.28 -42.46 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 37 I H H 4.29 25.38 15.15 40.79 91.33 49.23 -63.61 -43.20 0.18 0.00 99.82 0.01 0.00 0.15 99.73 0.11 0.00 0.00 0.00 38 R H H 122.78 9.16 19.55 29.23 91.09 51.37 -64.08 -34.59 1.85 0.00 98.15 0.02 0.03 1.92 97.87 0.16 0.00 0.00 0.00 39 Q C T 115.34 2.66 20.27 22.54 91.84 52.60 -83.66 -6.70 74.01 0.01 25.98 0.14 0.65 72.96 25.86 0.37 0.00 0.00 0.01 40 G C T 37.77 11.16 15.64 27.17 95.06 -113.69 79.92 11.41 99.81 0.00 0.19 0.49 1.62 97.80 0.07 0.02 0.00 0.00 0.00 41 K C S 107.72 6.35 21.93 29.07 94.79 122.66 -82.26 -17.38 99.73 0.22 0.05 40.56 58.06 1.14 0.01 0.03 0.00 0.08 0.11 42 A C C 4.07 25.34 13.22 38.64 122.16 65.81 -105.68 139.29 94.13 5.82 0.06 81.63 11.78 0.54 0.00 0.08 0.00 5.63 0.33 43 K C S 89.63 9.78 26.67 37.51 100.10 -168.56 -94.70 -28.89 93.45 6.54 0.01 15.31 77.85 0.27 0.00 0.01 0.00 6.48 0.09 44 L E E 10.77 21.15 26.61 47.08 134.83 16.06 -144.38 142.64 3.76 96.23 0.01 2.71 1.01 0.05 0.00 0.01 0.00 96.12 0.10 45 V E E 1.07 27.30 26.68 54.00 120.84 -162.87 -118.05 127.72 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 46 I E E 2.39 25.51 29.29 54.08 117.13 -163.42 -111.69 123.54 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 47 L E E 5.49 24.22 27.07 50.11 124.60 -168.90 -112.78 140.67 0.39 99.61 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.60 0.01 48 A E E 4.76 22.31 20.83 43.44 115.29 -119.91 -76.25 145.94 27.21 72.77 0.02 26.50 0.69 0.06 0.00 0.02 0.00 72.32 0.41 49 N C T 69.35 11.49 22.41 34.18 93.46 -123.10 -66.18 -23.52 91.11 8.39 0.50 3.30 22.17 66.44 0.02 0.53 0.00 7.11 0.43 50 N C T 92.81 5.92 22.58 29.31 95.28 57.55 -91.45 7.51 97.76 1.89 0.35 6.00 29.45 62.38 0.02 0.42 0.00 1.52 0.22 51 C C S 11.09 23.35 9.18 31.53 118.21 118.43 -76.50 145.20 97.67 2.11 0.22 42.00 55.50 0.43 0.09 0.09 0.00 0.68 1.21 52 P C C 60.31 4.60 18.39 23.84 114.09 -101.92 -63.41 148.14 99.44 0.31 0.25 98.79 0.59 0.19 0.12 0.04 0.00 0.09 0.18 53 A H H 80.33 3.88 13.66 19.53 91.68 -111.90 -57.69 -36.93 21.00 0.07 78.93 1.88 2.19 14.81 55.78 25.22 0.04 0.03 0.05 54 L H H 123.25 1.43 16.97 17.84 91.17 56.62 -65.87 -30.41 18.04 0.07 81.88 1.22 1.56 13.34 59.31 24.43 0.06 0.04 0.05 55 R H H 65.80 14.80 14.11 28.73 95.20 47.59 -82.88 -18.99 13.27 0.10 86.62 2.12 1.31 8.23 61.78 26.44 0.02 0.06 0.04 56 K H H 63.81 17.57 14.37 30.91 92.18 71.00 -60.05 -42.99 3.23 0.02 96.74 1.03 0.44 1.48 95.14 1.89 0.00 0.01 0.01 57 S H H 66.76 2.06 22.93 23.38 91.74 51.01 -64.09 -40.32 2.88 0.01 97.11 0.48 0.23 1.87 95.32 2.10 0.00 0.00 0.00 58 E H H 77.15 7.63 22.14 30.15 91.64 50.20 -64.93 -41.27 1.56 0.01 98.43 0.33 0.13 0.96 97.33 1.23 0.00 0.00 0.00 59 I H H 2.28 26.57 15.66 42.90 91.30 49.79 -64.63 -42.84 0.29 0.00 99.71 0.07 0.03 0.13 99.69 0.09 0.00 0.00 0.00 60 E H H 76.76 12.77 21.67 33.83 91.46 52.08 -61.99 -42.23 0.08 0.00 99.91 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 61 Y H H 128.43 2.17 25.19 25.53 91.62 49.60 -63.66 -42.57 0.06 0.00 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 62 Y H H 40.11 14.64 20.74 35.65 92.07 48.71 -64.78 -42.43 0.06 0.00 99.94 0.00 0.00 0.04 99.91 0.04 0.00 0.00 0.00 63 A H H 3.72 23.64 14.48 38.36 91.37 50.52 -63.42 -42.31 0.19 0.00 99.81 0.01 0.01 0.15 99.72 0.12 0.00 0.00 0.00 64 M H H 113.14 4.14 20.62 25.51 91.63 49.76 -64.19 -40.36 0.85 0.00 99.15 0.03 0.02 0.79 98.84 0.32 0.00 0.00 0.00 65 L H H 103.15 4.04 20.04 24.35 91.50 51.26 -65.95 -34.48 4.18 0.00 95.82 0.08 0.13 3.95 95.57 0.27 0.00 0.00 0.00 66 A H H 24.72 15.87 14.53 30.81 94.04 48.02 -86.31 -5.83 49.08 0.08 50.83 1.35 3.35 42.10 52.34 0.75 0.01 0.02 0.06 67 K C T 158.02 2.09 21.24 23.56 93.99 -124.16 58.52 38.94 99.39 0.06 0.55 6.14 5.39 87.99 0.33 0.10 0.00 0.03 0.02 68 T C C 19.69 20.39 14.11 34.05 127.26 134.72 -118.56 151.01 96.23 3.72 0.05 80.70 14.65 0.58 0.01 0.04 0.00 3.82 0.19 69 G E E 25.49 8.62 25.54 34.82 117.25 -113.32 -78.84 149.62 42.62 57.32 0.06 37.57 2.96 0.32 0.01 0.06 0.00 58.64 0.45 70 V E E 25.27 23.39 16.34 39.12 123.57 -154.96 -119.70 131.59 5.78 94.21 0.01 5.47 0.22 0.01 0.00 0.00 0.00 93.92 0.37 71 H E E 51.56 14.12 23.98 37.81 120.89 -166.02 -111.88 131.55 1.17 98.83 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.84 0.06 72 H E E 85.60 13.92 22.37 35.53 118.24 -151.38 -101.33 128.97 2.87 97.12 0.01 2.72 0.10 0.01 0.00 0.00 0.00 97.05 0.13 73 Y E E 37.97 19.80 14.61 33.92 123.72 -171.01 -115.24 139.56 30.84 69.09 0.07 29.54 0.93 0.10 0.02 0.04 0.00 68.60 0.76 74 S C C 78.89 3.95 21.22 25.70 106.04 -166.48 -105.07 34.48 76.59 23.23 0.18 47.04 26.09 2.56 0.03 0.18 0.00 23.51 0.59 75 G C S 28.64 8.79 19.06 28.40 136.91 74.82 -149.23 -174.17 93.31 6.29 0.40 15.45 74.21 3.89 0.08 0.27 0.00 5.38 0.72 76 N C C 76.34 6.62 22.89 29.55 122.84 -64.77 -101.05 150.29 95.93 2.21 1.86 86.50 8.23 1.21 1.52 0.39 0.00 1.11 1.04 77 N H H 35.11 21.31 14.79 35.15 93.09 -121.70 -62.58 -35.01 9.24 0.07 90.70 2.62 2.48 4.10 89.63 1.11 0.01 0.02 0.03 78 I H H 87.76 7.63 21.86 29.82 92.51 55.34 -64.90 -40.71 4.43 0.04 95.53 0.85 0.66 2.81 94.63 1.01 0.01 0.02 0.01 79 E H H 89.97 5.11 23.73 28.82 92.27 49.41 -66.16 -40.47 2.02 0.04 97.94 0.55 0.29 1.17 96.97 0.99 0.01 0.03 0.01 80 L H H 6.11 22.63 16.17 39.12 91.93 51.87 -63.88 -42.81 0.81 0.01 99.18 0.17 0.11 0.47 98.68 0.57 0.00 0.01 0.00 81 G H H 8.55 15.93 16.84 33.62 91.72 51.52 -62.87 -42.04 1.24 0.01 98.74 0.23 0.12 0.78 98.04 0.83 0.00 0.01 0.00 82 T H H 90.51 2.42 21.66 23.48 92.19 49.84 -65.76 -40.33 1.60 0.01 98.39 0.19 0.12 1.16 97.24 1.27 0.00 0.01 0.00 83 A H H 43.98 11.32 17.48 29.24 92.50 52.16 -67.39 -34.40 4.75 0.02 95.23 0.23 0.30 4.14 94.28 1.02 0.01 0.01 0.01 84 C H H 26.24 17.21 14.35 31.55 94.91 39.33 -90.94 -6.21 45.11 0.08 54.81 0.85 2.17 41.53 53.94 1.39 0.03 0.03 0.06 85 G C T 58.09 1.79 19.90 21.09 94.77 -115.53 77.38 13.78 99.28 0.04 0.68 4.92 6.26 88.28 0.30 0.20 0.00 0.02 0.02 86 K C C 78.28 10.01 13.64 24.91 132.84 109.49 -123.94 158.19 98.80 0.73 0.47 48.49 48.07 2.28 0.14 0.28 0.00 0.26 0.48 87 Y C C 153.83 4.82 18.02 23.81 104.38 -126.98 -85.23 35.67 97.89 1.48 0.63 68.76 26.20 2.87 0.14 0.53 0.00 0.72 0.79 88 Y C C 69.97 14.93 16.55 31.32 129.57 85.30 -120.15 152.60 95.02 3.92 1.06 65.76 24.85 4.40 0.22 0.97 0.00 2.38 1.42 89 R C C 105.97 11.33 23.72 34.69 109.75 -119.05 -85.76 119.40 88.71 10.26 1.03 56.11 27.89 4.81 0.18 1.03 0.00 8.08 1.90 90 V C C 12.38 23.24 19.73 42.53 122.63 100.80 -111.89 135.18 71.33 28.40 0.28 60.06 10.04 0.87 0.06 0.27 0.00 26.44 2.26 91 C C S 18.41 19.38 25.67 44.21 100.00 -167.23 -91.08 -27.39 69.07 30.85 0.09 32.42 36.48 0.63 0.01 0.08 0.00 30.04 0.36 92 T E E 7.75 22.38 27.09 48.95 134.38 15.48 -141.36 142.18 6.54 93.40 0.07 5.63 0.80 0.07 0.01 0.03 0.00 93.23 0.24 93 L E E 2.73 26.36 26.89 52.66 123.93 -164.30 -121.14 133.78 0.81 99.19 0.01 0.77 0.04 0.00 0.00 0.00 0.00 99.15 0.03 94 S E E 6.84 21.95 28.25 49.26 120.92 -161.32 -113.14 130.56 0.55 99.45 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.01 95 I E E 8.48 23.31 22.34 45.44 114.89 -155.38 -104.09 123.06 2.64 97.35 0.00 2.65 0.05 0.00 0.00 0.00 0.00 97.12 0.17 96 I C S 52.34 14.52 22.98 37.07 99.60 -173.92 -90.65 -25.93 69.58 30.37 0.05 32.57 36.21 0.59 0.01 0.04 0.00 30.19 0.39 97 D C S 62.05 8.45 21.58 30.74 117.52 45.47 -124.39 114.58 95.53 4.04 0.44 25.05 68.54 1.88 0.21 0.15 0.00 3.72 0.45 98 P C T 63.79 13.73 15.25 29.13 93.62 -148.34 -62.53 -26.60 60.21 0.95 38.84 10.53 9.24 39.40 29.14 10.55 0.08 0.58 0.47 99 G C T 41.57 4.78 20.80 26.03 93.38 61.03 -65.67 -28.96 54.17 0.41 45.42 7.94 6.95 38.19 37.18 9.19 0.06 0.21 0.27 100 D H H 40.12 14.86 17.11 31.89 95.17 54.65 -83.89 -14.86 31.87 0.39 67.74 18.19 4.71 9.89 57.86 8.96 0.01 0.19 0.19 101 S H H 15.48 20.46 14.16 34.01 93.31 75.47 -63.55 -38.85 9.52 0.10 90.38 4.60 1.68 3.54 87.27 2.82 0.01 0.05 0.03 102 D H H 92.67 2.90 23.23 25.75 92.29 53.88 -64.79 -37.37 4.26 0.06 95.68 1.68 0.70 2.00 93.42 2.15 0.01 0.03 0.01 103 I H H 60.62 9.03 20.44 30.17 92.11 52.22 -65.23 -41.81 2.71 0.06 97.24 0.94 0.39 1.43 95.10 2.10 0.01 0.04 0.01 104 I H H 14.89 22.38 15.64 37.52 92.39 50.19 -65.10 -41.37 3.02 0.08 96.91 0.81 0.39 1.78 94.51 2.44 0.01 0.05 0.01 105 R H H 114.07 10.02 19.79 29.95 92.24 53.11 -66.31 -34.25 10.92 0.10 88.98 1.37 0.99 8.25 86.88 2.39 0.03 0.06 0.04 106 S H H 62.43 3.48 20.29 23.50 94.88 51.96 -81.86 -18.49 33.58 0.20 66.21 3.79 3.69 25.82 63.74 2.70 0.05 0.08 0.12 107 M H H 40.71 14.93 13.66 28.99 101.43 83.82 -67.23 -43.78 39.61 0.53 59.86 19.30 13.00 8.83 51.42 6.95 0.03 0.21 0.26 108 P H H 50.50 10.89 14.95 26.68 95.08 50.07 -65.69 -35.59 33.67 0.87 65.46 19.81 4.87 9.44 53.42 11.63 0.02 0.51 0.32 109 E H H 126.77 2.77 16.25 19.51 94.20 52.44 -68.88 -33.01 29.33 1.39 69.28 15.24 5.37 9.71 55.84 12.50 0.05 0.84 0.46 110 Q H H 104.90 5.19 13.56 19.94 96.80 55.08 -77.55 -23.23 36.59 1.88 61.53 18.36 7.81 12.49 51.35 8.16 0.07 1.06 0.70 111 T C H 68.50 8.74 10.73 20.37 101.16 58.83 -86.76 1.47 56.84 1.85 41.31 18.34 12.91 26.75 35.51 4.68 0.10 0.89 0.82 112 G C T 51.97 3.51 12.25 17.13 104.47 -49.87 76.63 7.34 78.80 3.06 18.13 28.75 17.42 33.66 13.26 4.15 0.03 1.69 1.04 113 E C C 124.63 4.08 9.65 15.60 110.45 130.84 -86.95 121.88 88.69 3.82 7.49 78.65 2.85 7.61 5.39 1.67 0.00 2.45 1.40 114 K C C 144.16 3.47 12.13 17.36 111.17 -148.05 -89.25 120.22 99.81 0.15 0.04 99.74 0.09 0.05 0.02 0.00 0.00 0.08 0.01