# 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 K C C 130.38 3.93 13.17 18.45 108.99 -140.01 -82.00 120.39 99.76 0.05 0.19 99.64 0.09 0.09 0.14 0.01 0.00 0.02 0.01 1 K H H 128.62 4.01 10.55 16.18 99.29 78.21 -73.86 -27.54 47.74 0.32 51.94 41.74 0.87 4.32 51.82 0.98 0.00 0.11 0.15 2 S H H 66.21 2.83 11.16 15.17 97.42 63.36 -69.05 -39.44 24.04 0.16 75.81 15.70 2.56 5.25 75.18 1.18 0.00 0.06 0.07 3 A H H 63.54 2.54 12.33 15.82 93.70 53.12 -65.26 -39.36 7.61 0.06 92.34 4.29 1.04 2.20 91.48 0.94 0.00 0.03 0.02 4 R H H 121.61 4.87 13.44 19.53 92.70 51.78 -65.93 -40.30 3.06 0.04 96.90 1.62 0.44 1.04 96.28 0.60 0.00 0.02 0.01 5 I H H 78.80 5.78 14.11 21.36 92.50 50.18 -65.14 -40.86 1.91 0.03 98.06 0.93 0.24 0.70 97.79 0.33 0.00 0.01 0.01 6 R H H 138.24 2.02 17.58 19.26 92.34 50.47 -64.57 -41.39 1.47 0.02 98.51 0.61 0.16 0.59 98.44 0.19 0.00 0.01 0.00 7 R H H 119.57 3.80 18.12 22.26 92.14 49.59 -65.19 -41.05 1.07 0.01 98.93 0.36 0.11 0.46 98.96 0.12 0.00 0.00 0.00 8 A H H 26.79 11.09 15.21 27.66 92.08 50.71 -64.22 -41.53 1.02 0.00 98.97 0.28 0.09 0.47 99.06 0.10 0.00 0.00 0.00 9 T H H 62.29 4.74 19.03 24.46 92.01 50.13 -64.35 -41.61 0.95 0.00 99.04 0.23 0.08 0.45 99.15 0.09 0.00 0.00 0.00 10 R H H 127.65 2.19 21.29 22.26 92.09 49.81 -64.56 -41.63 0.76 0.00 99.24 0.16 0.06 0.37 99.33 0.08 0.00 0.00 0.00 11 A H H 27.05 10.51 17.04 28.93 91.84 50.30 -64.33 -41.80 0.98 0.00 99.02 0.20 0.07 0.51 99.11 0.11 0.00 0.00 0.00 12 R H H 89.86 12.53 17.23 29.70 91.75 51.66 -62.91 -41.14 1.17 0.00 98.83 0.24 0.08 0.62 98.93 0.13 0.00 0.00 0.00 13 R H H 133.84 2.34 20.65 22.28 91.76 50.96 -64.04 -41.49 1.15 0.00 98.85 0.25 0.10 0.59 98.89 0.17 0.00 0.00 0.00 14 K H H 107.57 3.57 19.50 23.23 91.94 50.23 -64.78 -41.06 1.49 0.01 98.50 0.33 0.13 0.83 98.40 0.31 0.00 0.00 0.00 15 L H H 28.64 16.46 13.10 29.77 92.38 50.27 -65.42 -40.64 1.91 0.01 98.08 0.45 0.20 1.07 97.61 0.66 0.00 0.00 0.00 16 Q H H 105.71 6.51 16.52 24.25 92.02 51.43 -63.86 -39.49 3.69 0.02 96.29 0.70 0.33 2.39 95.13 1.43 0.00 0.01 0.01 17 E H H 142.75 1.33 17.59 18.14 92.23 52.10 -67.87 -29.80 10.84 0.03 89.14 0.83 0.75 8.77 88.17 1.44 0.01 0.01 0.01 18 L H H 82.89 7.59 14.74 23.41 95.13 52.12 -82.59 -10.01 42.39 0.14 57.48 2.96 4.19 34.26 56.64 1.77 0.04 0.04 0.10 19 G C T 44.12 4.95 18.98 24.66 97.74 -116.18 79.55 16.02 97.56 0.30 2.15 24.15 6.76 67.04 1.29 0.53 0.00 0.15 0.09 20 A C C 24.33 15.79 15.90 32.07 119.25 145.41 -86.53 147.36 95.91 3.73 0.36 71.56 22.64 1.72 0.07 0.28 0.00 3.40 0.32 21 T C C 30.22 16.26 21.51 37.57 116.69 -123.76 -91.38 135.56 57.10 42.68 0.22 50.14 3.42 0.54 0.03 0.16 0.00 45.38 0.34 22 R E E 47.33 18.91 24.09 41.58 129.33 -168.89 -129.05 141.06 5.08 94.91 0.01 4.71 0.26 0.01 0.00 0.00 0.00 94.83 0.18 23 L E E 5.66 24.81 22.81 47.37 119.88 -156.91 -112.89 130.09 0.85 99.15 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.15 0.01 24 V E E 18.49 16.23 27.57 43.99 119.41 -164.31 -114.73 126.55 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 25 V E E 6.71 24.31 21.62 45.80 117.67 -164.18 -111.62 124.50 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 26 H E E 51.72 12.23 26.26 38.59 122.01 -170.10 -118.07 130.12 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 27 R E E 77.90 16.95 19.09 34.97 116.45 -156.04 -103.54 124.97 5.98 94.01 0.01 5.32 0.34 0.02 0.00 0.00 0.00 94.21 0.11 28 T C C 32.30 9.73 18.55 29.49 131.25 171.53 -122.09 174.50 82.58 17.40 0.02 80.64 1.04 0.06 0.00 0.01 0.00 18.02 0.22 29 P C S 89.68 6.28 17.07 24.52 91.53 -94.03 -63.43 -27.41 99.68 0.20 0.12 3.05 78.88 17.79 0.01 0.10 0.00 0.13 0.04 30 R C S 136.48 5.09 17.56 23.25 103.28 27.78 -106.58 -19.38 99.55 0.32 0.13 2.41 79.48 17.72 0.01 0.11 0.00 0.23 0.04 31 H E E 61.22 10.13 20.56 31.37 142.27 12.36 -154.87 158.09 37.17 62.79 0.04 29.35 6.31 0.25 0.00 0.04 0.00 63.65 0.40 32 I E E 8.87 23.44 17.13 41.14 119.63 -135.67 -112.18 129.83 1.79 98.21 0.00 1.73 0.04 0.00 0.00 0.00 0.00 98.20 0.03 33 Y E E 42.28 13.17 26.84 40.55 124.33 -169.69 -120.43 138.90 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 34 A E E 2.06 26.24 20.15 46.95 128.25 -170.62 -127.62 143.10 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 35 Q E E 31.30 15.66 28.58 44.27 127.80 -170.22 -127.36 139.73 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 36 V E E 3.25 25.08 22.99 48.46 117.70 -152.62 -107.75 127.30 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 37 I E E 16.76 16.37 23.80 40.65 126.28 -171.77 -121.77 140.26 1.05 98.95 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.80 0.17 38 A C C 15.49 14.32 19.45 34.76 118.07 -118.45 -73.62 153.98 72.34 27.62 0.04 70.59 0.97 0.09 0.01 0.03 0.00 27.96 0.35 39 P C T 56.02 14.79 15.88 30.81 91.76 -108.35 -61.47 -25.97 96.03 0.77 3.20 2.57 11.25 81.44 0.09 3.89 0.00 0.60 0.16 40 N C T 109.94 2.51 19.95 22.17 93.57 55.92 -86.83 -0.55 95.79 0.56 3.65 1.80 10.70 82.58 0.11 4.27 0.00 0.36 0.18 41 G C S 30.02 13.71 12.59 26.00 97.22 -108.02 82.47 5.35 94.48 1.31 4.21 17.28 50.76 25.63 0.23 4.88 0.00 0.76 0.46 42 S C S 74.17 3.47 18.55 22.67 97.26 108.44 -85.34 -22.28 96.98 2.04 0.98 36.40 48.57 12.14 0.14 0.89 0.00 1.45 0.42 43 E C C 101.43 5.50 19.49 25.89 125.50 42.82 -119.50 140.54 68.51 30.69 0.80 45.68 22.32 1.76 0.24 0.62 0.00 25.68 3.69 44 V E E 56.82 16.87 15.40 31.59 111.21 -133.10 -86.42 121.66 6.42 93.53 0.05 6.15 0.42 0.04 0.02 0.03 0.00 92.67 0.69 45 L E E 47.82 14.37 21.09 35.40 99.49 177.38 -91.87 -32.76 3.44 96.54 0.02 1.74 1.53 0.05 0.00 0.01 0.00 96.62 0.04 46 V E E 13.57 19.76 21.94 41.73 141.03 2.40 -153.47 148.78 0.31 99.69 0.00 0.24 0.03 0.00 0.00 0.00 0.00 99.72 0.00 47 A E E 34.72 19.11 23.54 40.74 133.64 -171.53 -139.42 144.40 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 48 A E E 8.47 21.77 22.45 43.50 134.89 -176.64 -140.00 149.21 1.32 98.67 0.01 1.25 0.04 0.00 0.00 0.00 0.00 98.64 0.05 49 S E E 23.86 16.16 23.67 39.26 133.73 -172.17 -137.04 152.70 11.73 88.06 0.21 10.43 1.07 0.15 0.08 0.11 0.00 87.72 0.44 50 T C C 31.47 18.61 18.75 36.69 96.61 -136.42 -79.95 -15.16 70.74 16.29 12.97 29.07 28.67 14.15 7.34 4.81 0.12 14.37 1.47 51 V C C 69.19 10.49 21.37 31.83 96.56 65.28 -86.54 -4.81 76.28 3.57 20.14 36.93 22.05 17.63 15.38 4.71 0.04 2.13 1.13 52 E H H 68.40 15.30 15.97 30.53 103.60 91.97 -69.90 -34.95 40.70 0.88 58.42 26.52 9.17 6.48 53.08 3.99 0.01 0.39 0.35 53 K H H 136.79 3.62 19.26 23.88 93.53 -133.63 -64.55 -37.26 10.89 0.18 88.93 3.82 2.30 5.45 84.58 3.64 0.03 0.10 0.07 54 A H H 51.61 4.96 20.48 25.85 92.55 52.27 -65.45 -39.73 8.24 0.19 91.58 2.89 1.43 4.52 86.94 4.00 0.04 0.11 0.06 55 I H H 11.55 20.91 15.02 35.82 92.53 49.21 -66.01 -41.68 5.41 0.15 94.44 1.96 0.92 2.88 90.83 3.26 0.02 0.09 0.05 56 A H H 32.36 14.23 17.38 31.67 91.81 53.22 -62.63 -41.84 4.09 0.09 95.82 1.36 0.61 2.24 92.92 2.77 0.02 0.06 0.02 57 E H H 116.89 1.81 23.23 23.13 92.07 50.25 -65.33 -40.31 6.30 0.07 93.62 1.15 0.75 4.40 89.26 4.34 0.03 0.04 0.03 58 Q H H 68.46 8.55 18.45 27.93 92.42 49.68 -67.06 -38.22 9.62 0.09 90.29 1.61 1.19 6.79 85.37 4.92 0.03 0.05 0.04 59 L H H 20.07 20.52 12.18 31.94 93.30 52.79 -69.27 -32.57 19.77 0.21 80.02 6.00 3.17 10.94 73.67 5.97 0.03 0.10 0.11 60 K H H 136.02 4.13 17.66 23.11 93.05 59.51 -67.12 -32.40 31.59 0.36 68.05 6.15 4.44 21.57 61.51 5.88 0.09 0.17 0.20 61 Y H H 172.80 1.53 17.18 18.06 99.43 38.58 -89.38 -22.17 45.24 0.44 54.33 6.18 8.48 31.09 49.12 4.58 0.10 0.17 0.29 62 T C H 69.05 6.80 15.05 22.76 104.82 30.25 -105.19 -12.90 62.07 0.86 37.06 14.64 20.44 27.78 33.26 2.93 0.06 0.28 0.61 63 G C C 43.60 8.62 16.30 25.60 98.63 -122.84 78.57 14.80 96.97 0.86 2.18 62.95 17.58 16.67 1.13 0.82 0.00 0.40 0.45 64 N C C 64.64 9.75 18.42 28.89 111.28 144.28 -88.11 120.07 91.26 1.98 6.76 73.93 14.76 1.53 7.07 0.56 0.00 0.46 1.69 65 K H H 89.29 15.56 18.30 32.73 94.78 -163.08 -66.26 -34.30 5.77 0.02 94.21 1.80 1.30 2.46 93.92 0.49 0.00 0.01 0.01 66 D H H 88.84 4.29 26.35 31.24 91.76 53.90 -64.63 -40.30 1.82 0.01 98.17 0.40 0.19 1.03 97.98 0.39 0.00 0.00 0.00 67 A H H 10.46 17.21 22.72 40.06 91.64 50.05 -64.41 -42.16 0.35 0.00 99.65 0.06 0.03 0.20 99.47 0.24 0.00 0.00 0.00 68 A H H 1.46 26.51 21.96 48.49 91.38 51.37 -63.92 -42.58 0.15 0.00 99.85 0.02 0.01 0.09 99.75 0.13 0.00 0.00 0.00 69 A H H 27.79 14.75 28.27 42.96 91.53 50.88 -63.69 -42.46 0.14 0.00 99.86 0.01 0.01 0.09 99.83 0.05 0.00 0.00 0.00 70 A H H 28.24 9.69 30.17 41.88 91.36 50.56 -63.46 -42.70 0.14 0.00 99.86 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 71 V H H 1.59 26.31 27.37 53.29 91.72 49.22 -64.40 -43.71 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 72 G H H 0.62 27.21 25.76 52.85 91.49 50.93 -63.03 -43.39 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 73 K H H 80.72 10.90 30.04 41.99 91.40 50.18 -63.81 -41.88 0.17 0.00 99.83 0.01 0.00 0.11 99.86 0.01 0.00 0.00 0.00 74 A H H 19.62 11.90 28.98 42.45 91.36 50.06 -63.50 -43.10 0.15 0.00 99.85 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 75 V H H 1.24 26.76 26.24 52.74 91.58 49.20 -64.48 -43.85 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 76 A H H 2.21 25.33 23.60 48.49 91.19 51.07 -63.05 -43.15 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 77 E H H 86.17 5.91 29.01 35.93 91.31 50.20 -63.31 -42.52 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 78 R H H 66.23 10.61 25.78 36.79 91.79 49.39 -64.75 -41.58 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 79 A H H 1.13 26.42 16.18 43.56 91.03 50.93 -63.28 -43.21 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 80 L H H 61.86 14.63 19.15 33.15 91.36 50.33 -62.88 -41.17 0.58 0.00 99.42 0.02 0.01 0.50 99.12 0.35 0.00 0.00 0.00 81 E H H 144.98 1.43 21.71 22.18 89.96 53.52 -64.63 -28.80 5.89 0.00 94.11 0.06 0.10 6.19 93.23 0.41 0.00 0.00 0.00 82 K C T 95.77 9.69 16.47 26.96 92.90 52.88 -88.13 0.36 79.92 0.01 20.07 0.18 0.59 79.28 19.40 0.54 0.00 0.00 0.01 83 G C T 41.80 4.32 22.76 27.56 98.87 -99.62 92.38 10.33 99.90 0.00 0.10 0.57 0.54 98.84 0.03 0.01 0.00 0.00 0.00 84 I C C 9.75 24.53 10.56 35.06 111.47 150.20 -78.98 123.32 88.91 11.01 0.07 89.31 0.39 0.06 0.02 0.03 0.00 9.71 0.48 85 K C C 122.74 4.96 23.45 29.46 101.67 174.39 -104.79 -16.63 78.75 21.15 0.10 65.77 10.87 0.43 0.01 0.09 0.00 22.46 0.37 86 D E E 64.20 9.08 25.10 34.94 128.88 38.13 -134.02 138.86 13.10 86.76 0.14 10.64 2.06 0.26 0.02 0.09 0.00 86.66 0.27 87 V E E 5.93 25.94 16.66 43.07 128.00 -171.34 -131.99 138.22 2.14 97.81 0.04 2.00 0.10 0.02 0.01 0.01 0.00 97.71 0.13 88 S E E 28.64 13.10 27.16 40.41 127.37 -168.79 -120.96 142.32 2.59 97.38 0.03 2.46 0.10 0.02 0.01 0.01 0.00 97.24 0.16 89 F E E 17.19 23.71 18.03 41.35 127.20 -167.15 -125.00 137.50 16.71 83.24 0.05 16.15 0.48 0.05 0.02 0.02 0.00 82.87 0.40 90 D C C 60.28 9.84 22.82 32.91 109.25 -141.61 -95.22 113.30 54.81 44.94 0.25 47.48 5.07 0.63 0.06 0.19 0.00 45.69 0.88 91 R C C 61.14 17.31 13.49 30.58 101.23 171.70 -101.11 9.92 87.06 8.05 4.89 70.29 9.48 6.85 1.02 4.28 0.00 6.14 1.94 92 S C T 74.14 5.03 14.88 21.65 106.11 137.84 -65.99 114.38 89.01 3.00 8.00 19.58 15.73 53.33 1.07 7.30 0.01 1.84 1.16 93 G C T 61.59 1.47 15.95 16.91 97.52 4.57 83.17 0.02 89.18 1.26 9.56 9.69 23.30 55.90 0.97 8.84 0.00 0.72 0.58 94 F C C 83.39 12.42 9.56 22.05 123.29 99.35 -103.74 149.23 87.97 4.38 7.65 45.90 31.20 10.46 1.58 6.25 0.00 2.08 2.51 95 Q C C 131.80 2.24 18.60 20.88 113.95 -121.21 -87.48 134.25 93.74 3.04 3.22 71.92 14.32 7.39 0.94 2.29 0.00 1.74 1.41 96 Y C C 91.17 16.51 10.53 26.02 116.44 -139.06 -95.41 129.94 93.67 3.20 3.12 78.09 11.13 4.22 1.56 1.47 0.00 1.45 2.08 97 H C C 102.97 4.90 16.90 23.21 130.44 171.22 -138.12 158.54 94.30 1.05 4.66 82.62 8.80 2.38 4.48 0.66 0.00 0.38 0.69 98 G H H 46.16 3.05 19.46 22.80 112.78 -27.13 63.71 -135.07 22.09 0.12 77.78 4.60 9.69 7.99 76.49 1.09 0.02 0.03 0.08 99 R H H 85.77 14.82 19.04 33.18 93.18 -6.01 -67.46 -33.08 5.01 0.03 94.96 1.04 0.81 2.96 94.36 0.81 0.01 0.01 0.01 100 V H H 6.91 24.51 17.47 41.63 91.73 54.90 -64.22 -41.38 1.59 0.02 98.39 0.48 0.18 0.81 97.96 0.56 0.00 0.01 0.00 101 Q H H 78.28 9.96 24.82 34.78 91.45 52.77 -63.03 -41.34 0.36 0.00 99.64 0.09 0.03 0.17 99.54 0.18 0.00 0.00 0.00 102 A H H 28.69 8.38 25.58 35.18 91.49 51.26 -64.05 -41.85 0.21 0.00 99.79 0.03 0.01 0.11 99.76 0.08 0.00 0.00 0.00 103 L H H 4.29 24.76 23.25 47.30 92.11 49.50 -64.72 -42.89 0.13 0.00 99.87 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 104 A H H 6.64 21.62 22.73 43.82 91.18 50.47 -62.28 -43.36 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 105 D H H 73.80 3.98 28.53 32.70 91.44 50.06 -63.66 -41.68 0.17 0.00 99.83 0.02 0.00 0.10 99.86 0.02 0.00 0.00 0.00 106 A H H 13.36 13.30 22.67 37.09 91.42 50.73 -63.31 -42.76 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 107 A H H 1.92 25.77 16.37 42.73 91.07 50.47 -63.33 -43.04 0.28 0.00 99.72 0.04 0.01 0.19 99.67 0.09 0.00 0.00 0.00 108 R H H 121.54 8.92 20.60 30.07 91.54 50.18 -62.77 -41.20 0.81 0.00 99.19 0.09 0.05 0.60 99.02 0.24 0.00 0.00 0.00 109 E H H 138.21 1.94 21.52 23.08 90.40 52.86 -64.64 -29.89 5.36 0.00 94.64 0.12 0.16 5.10 94.32 0.29 0.00 0.00 0.00 110 A C T 31.08 14.22 14.29 29.27 92.81 54.07 -85.52 -0.97 75.39 0.02 24.60 0.28 0.69 73.42 25.13 0.47 0.00 0.00 0.01 111 G C T 49.69 2.73 21.93 24.60 96.80 -102.84 87.10 10.32 99.66 0.01 0.33 1.09 0.80 97.91 0.15 0.03 0.00 0.00 0.00 112 L C C 16.31 22.88 9.47 31.50 117.40 140.32 -87.32 137.71 98.13 1.66 0.22 96.07 1.86 0.48 0.08 0.09 0.00 1.06 0.36 113 Q C C 123.60 2.78 22.58 25.54 114.05 -139.82 -93.71 129.30 75.07 24.57 0.36 75.20 0.79 0.67 0.16 0.14 0.00 15.89 7.16 114 F C C 46.99 21.79 13.91 34.30 115.62 -156.94 -97.14 127.81 97.00 2.98 0.01 97.74 0.08 0.01 0.00 0.00 0.00 1.99 0.18