# 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 75.23 10.56 20.92 31.38 115.45 -154.42 -95.15 129.76 99.74 0.26 0.00 99.75 0.06 0.01 0.00 0.00 0.00 0.18 0.01 1 V E E 19.93 20.22 15.20 35.16 122.11 -155.67 -112.42 134.55 16.56 83.44 0.01 16.93 0.16 0.01 0.00 0.00 0.00 82.58 0.32 2 V E E 42.25 9.87 23.31 34.22 120.84 -160.26 -113.98 131.27 2.89 97.11 0.00 2.60 0.12 0.00 0.00 0.00 0.00 97.22 0.04 3 I E E 15.21 22.87 17.37 40.23 118.93 -161.55 -109.91 128.31 0.65 99.35 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.40 0.01 4 R E E 78.89 10.08 25.20 35.54 123.99 -170.84 -118.53 134.98 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 5 L E E 25.29 21.50 17.95 38.88 120.89 -156.94 -107.85 133.24 0.75 99.25 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.31 0.01 6 A E E 28.21 11.53 22.31 34.56 132.79 -175.63 -131.93 152.72 0.73 99.27 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.30 0.01 7 R E E 108.71 12.64 18.38 30.84 119.43 -128.49 -96.56 137.38 3.48 96.51 0.01 3.13 0.17 0.02 0.00 0.00 0.00 96.53 0.13 8 G E E 20.42 12.13 16.76 29.56 134.00 169.51 -143.87 175.03 33.13 66.78 0.09 28.50 3.22 0.35 0.02 0.06 0.00 67.35 0.51 9 G C C 34.06 5.84 15.74 23.14 130.80 41.37 121.51 -173.29 60.25 39.51 0.24 41.47 17.37 1.96 0.04 0.26 0.00 37.58 1.33 10 A C C 66.73 5.20 13.11 19.77 122.31 -69.87 -109.56 153.77 70.77 27.86 1.37 41.61 24.77 5.75 0.26 1.36 0.01 21.86 4.40 11 K C T 158.03 2.03 12.52 15.52 102.61 -24.12 -58.42 84.64 96.89 1.07 2.03 4.11 44.45 48.40 0.09 2.00 0.00 0.67 0.28 12 K C T 172.61 1.20 13.99 15.07 96.11 -10.10 37.74 6.88 97.20 0.77 2.04 4.45 44.61 48.04 0.07 2.13 0.00 0.50 0.19 13 R C S 117.33 5.96 14.17 21.60 115.95 74.41 -119.88 109.06 72.73 26.82 0.44 21.88 48.79 2.71 0.05 0.45 0.00 23.89 2.23 14 P C C 41.27 12.93 14.73 28.69 114.28 -131.81 -69.69 141.09 66.55 33.39 0.07 61.03 2.63 0.31 0.01 0.06 0.00 35.59 0.38 15 F E E 43.70 13.03 19.71 33.71 131.63 -174.59 -130.85 150.14 6.15 93.84 0.00 5.25 0.52 0.02 0.00 0.00 0.00 94.02 0.19 16 Y E E 29.74 19.43 19.04 38.17 126.94 -157.90 -120.49 143.26 0.52 99.48 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.01 17 Q E E 35.78 14.70 24.89 39.54 129.79 -169.76 -129.76 144.07 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 18 I E E 8.97 23.02 21.47 44.47 118.42 -147.78 -108.63 129.15 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 19 V E E 14.16 17.29 25.45 42.78 126.76 -170.80 -122.33 141.15 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 V E E 11.38 20.93 23.32 44.06 117.92 -149.64 -106.16 128.38 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 21 T E E 13.73 15.95 20.28 37.09 133.69 173.75 -134.19 156.30 4.01 95.99 0.00 3.75 0.11 0.00 0.00 0.00 0.00 95.98 0.15 22 D E E 37.85 10.03 18.82 30.23 113.76 -104.38 -72.15 144.57 27.00 72.80 0.20 24.66 2.07 0.24 0.06 0.12 0.00 71.84 0.99 23 S C T 59.50 9.84 14.63 25.49 92.13 -123.88 -64.22 -28.14 74.22 0.90 24.88 2.63 15.67 56.52 2.54 21.58 0.03 0.56 0.47 24 R C T 178.74 1.06 16.71 16.62 94.52 58.85 -76.10 -20.94 72.37 0.61 27.02 2.57 15.41 54.47 2.88 23.91 0.03 0.34 0.40 25 N C C 63.46 7.50 11.81 20.96 108.61 38.02 -120.04 71.32 67.25 6.64 26.11 27.40 25.19 15.46 4.30 21.05 0.03 3.19 3.37 26 A C C 47.70 12.55 10.43 23.37 94.40 160.42 -62.86 -32.17 65.19 2.43 32.38 30.36 8.10 26.87 5.24 26.96 0.01 1.31 1.15 27 R C T 160.79 3.19 15.34 19.57 93.27 55.45 -69.44 -28.96 64.09 0.70 35.20 4.00 7.96 50.58 3.44 33.18 0.01 0.40 0.43 28 D C T 100.17 2.75 16.91 19.81 97.71 37.37 -96.37 -0.23 65.47 0.64 33.89 3.44 8.44 52.58 3.19 31.60 0.01 0.37 0.37 29 G C C 23.53 14.97 12.44 27.03 99.39 -117.99 77.04 9.35 89.62 2.44 7.95 44.31 26.01 18.93 1.05 7.40 0.00 1.45 0.83 30 R C C 117.79 5.45 20.26 26.50 114.90 153.22 -83.15 134.57 87.32 11.76 0.92 74.21 10.94 1.95 0.24 0.75 0.00 9.79 2.11 31 F E E 76.52 16.14 14.29 29.95 111.49 -124.90 -78.20 127.72 33.04 66.82 0.14 31.69 1.13 0.14 0.05 0.09 0.00 63.93 2.97 32 I E E 68.24 10.79 18.48 29.93 101.11 175.83 -95.49 -33.59 25.77 74.11 0.12 12.71 12.54 0.38 0.01 0.08 0.00 74.14 0.15 33 E E E 75.39 8.35 21.81 30.73 138.93 -3.26 -152.42 150.66 1.51 98.44 0.05 1.23 0.18 0.02 0.00 0.03 0.00 98.52 0.02 34 R E E 111.94 13.28 18.60 31.47 112.74 -128.19 -86.86 122.10 0.60 99.38 0.01 0.65 0.02 0.00 0.00 0.00 0.00 99.30 0.02 35 I E E 24.10 18.24 18.33 36.91 100.94 175.60 -100.85 -24.43 2.49 97.50 0.01 1.98 0.36 0.04 0.00 0.01 0.00 97.58 0.02 36 G E E 8.49 12.77 21.95 35.96 144.66 -42.45 162.20 176.83 2.77 97.22 0.01 1.98 0.59 0.07 0.00 0.01 0.00 97.33 0.03 37 F E E 68.30 13.48 22.10 35.75 133.46 -99.72 -137.00 149.86 2.72 97.26 0.01 2.52 0.18 0.02 0.00 0.01 0.00 97.13 0.15 38 F E E 37.48 17.98 17.95 36.10 119.21 -140.98 -110.43 132.05 9.78 90.18 0.04 8.71 0.86 0.06 0.02 0.02 0.00 87.80 2.53 39 N C C 42.48 10.46 18.92 30.82 112.08 -167.17 -118.17 104.93 84.23 15.53 0.24 81.18 2.40 0.23 0.09 0.12 0.00 15.48 0.50 40 P C T 52.39 11.16 15.09 27.67 94.89 -168.88 -67.67 -23.19 65.71 7.13 27.16 27.06 12.92 27.13 8.92 17.16 0.05 5.28 1.48 41 T C T 82.95 4.53 15.52 20.89 100.08 58.48 -86.54 -7.15 61.52 5.72 32.77 18.54 16.28 28.12 11.38 19.79 0.22 3.23 2.44 42 A C C 51.37 8.48 9.62 19.38 106.50 86.19 -81.13 96.57 59.01 4.79 36.20 24.03 16.86 19.97 10.61 23.64 0.11 2.52 2.26 43 Q C T 135.34 2.52 11.66 15.57 106.23 28.33 -77.41 97.65 75.96 1.33 22.72 13.28 17.06 45.40 8.87 13.76 0.03 0.67 0.92 44 G C T 61.18 1.39 12.37 14.09 99.47 -5.41 78.30 -0.27 86.17 0.77 13.06 15.27 20.56 50.63 3.98 8.65 0.00 0.37 0.53 45 Q C C 109.71 5.10 10.30 17.09 112.25 105.94 -94.28 119.88 78.83 3.88 17.29 42.85 21.15 15.13 4.98 11.97 0.01 1.94 1.96 46 A C C 71.46 5.10 12.30 18.85 105.64 -146.27 -80.31 47.88 73.78 6.86 19.36 43.70 18.13 12.59 4.50 14.68 0.01 4.60 1.79 47 E C C 103.05 7.54 13.58 22.26 109.72 61.16 -90.81 105.61 70.92 11.80 17.28 52.15 10.73 8.13 3.98 13.26 0.00 10.29 1.45 48 K C C 108.18 8.14 16.06 25.23 117.78 -154.52 -104.99 131.18 62.33 30.07 7.61 49.48 8.74 3.79 3.31 4.52 0.01 27.11 3.04 49 L E E 36.19 17.83 13.52 31.12 122.51 -161.48 -111.12 136.18 41.90 56.26 1.83 37.28 3.22 0.85 1.26 0.71 0.00 54.02 2.66 50 R E E 132.90 5.88 21.93 29.21 121.96 -157.77 -114.26 135.23 23.66 75.59 0.76 20.77 1.74 0.37 0.62 0.29 0.00 70.33 5.87 51 L E E 24.34 22.16 11.98 33.47 118.96 -146.71 -98.92 135.89 39.62 59.97 0.41 37.52 1.56 0.19 0.34 0.14 0.00 54.83 5.42 52 D C C 67.51 6.26 20.05 27.23 105.62 -129.48 -85.85 106.87 85.06 14.52 0.42 84.67 0.87 0.14 0.30 0.07 0.00 13.25 0.69 53 A H H 47.97 12.61 13.73 27.00 93.85 -167.12 -64.39 -34.52 2.44 0.01 97.55 0.87 0.27 1.01 97.31 0.53 0.00 0.00 0.00 54 D H H 109.77 1.19 20.04 19.55 91.63 55.62 -63.99 -39.58 0.80 0.00 99.20 0.12 0.06 0.51 98.75 0.56 0.00 0.00 0.00 55 R H H 83.46 10.08 17.89 28.65 92.20 49.20 -66.08 -40.33 0.37 0.00 99.62 0.07 0.03 0.22 99.11 0.57 0.00 0.00 0.00 56 F H H 14.23 22.01 13.41 35.22 91.70 51.39 -63.57 -42.50 0.21 0.00 99.79 0.04 0.01 0.10 99.70 0.14 0.00 0.00 0.00 57 A H H 53.42 4.88 20.56 25.80 91.34 51.66 -62.62 -41.65 0.24 0.00 99.76 0.03 0.01 0.14 99.73 0.08 0.00 0.00 0.00 58 H H H 100.44 2.73 20.93 22.99 91.78 49.99 -64.14 -42.20 0.45 0.00 99.54 0.04 0.02 0.34 99.46 0.15 0.00 0.00 0.00 59 W H H 25.68 17.18 14.78 32.51 92.05 49.81 -64.83 -42.65 0.89 0.00 99.11 0.10 0.06 0.63 98.83 0.39 0.00 0.00 0.00 60 V H H 48.97 14.43 14.43 28.86 91.82 50.08 -64.04 -40.22 2.02 0.01 97.97 0.16 0.11 1.64 97.21 0.86 0.00 0.00 0.00 61 S H H 91.72 1.16 17.57 17.98 90.09 56.06 -66.36 -24.15 12.96 0.02 87.01 0.40 0.51 12.28 85.83 0.94 0.02 0.01 0.02 62 Q C T 112.07 3.95 14.95 20.09 93.60 54.77 -87.93 0.26 84.32 0.04 15.64 0.42 1.81 81.28 15.66 0.77 0.00 0.01 0.04 63 G C T 50.04 2.75 18.82 21.69 100.23 -96.31 92.73 7.54 99.08 0.03 0.88 2.72 2.19 94.14 0.83 0.10 0.00 0.01 0.01 64 A C C 18.06 20.32 9.43 28.78 117.40 153.98 -73.12 144.81 97.57 2.34 0.09 96.41 1.21 0.19 0.03 0.03 0.00 1.77 0.36 65 Q C C 124.66 2.53 23.78 26.37 119.05 -145.61 -109.79 135.31 80.96 18.99 0.04 80.29 1.69 0.10 0.02 0.02 0.00 16.08 1.81 66 P C C 44.11 20.26 12.38 31.31 116.15 -115.78 -70.05 145.29 73.73 26.20 0.07 74.69 0.96 0.06 0.04 0.02 0.00 18.03 6.20 67 S C C 33.97 9.93 15.33 26.68 121.04 -122.85 -77.60 164.28 96.65 3.22 0.13 96.60 0.60 0.04 0.08 0.02 0.00 1.82 0.84 68 E H H 154.79 1.25 17.53 18.34 90.82 -106.70 -60.20 -34.74 1.36 0.00 98.63 0.18 0.21 0.78 98.66 0.17 0.00 0.00 0.00 69 R H H 123.02 5.17 18.82 24.81 91.74 53.04 -64.37 -40.87 0.63 0.00 99.37 0.07 0.04 0.40 99.32 0.16 0.00 0.00 0.00 70 V H H 8.89 22.52 14.18 36.56 91.89 47.67 -65.26 -42.20 0.18 0.00 99.82 0.03 0.01 0.10 99.77 0.10 0.00 0.00 0.00 71 A H H 36.82 10.51 18.62 30.01 91.23 52.25 -62.30 -41.98 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 72 S H H 64.53 1.99 23.97 24.01 91.63 50.17 -64.32 -41.68 0.13 0.00 99.87 0.01 0.00 0.09 99.89 0.02 0.00 0.00 0.00 73 L H H 32.00 13.34 19.95 33.93 91.91 49.72 -64.39 -42.59 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 74 A H H 10.16 20.10 17.16 37.25 91.56 50.27 -63.49 -42.15 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 75 A H H 54.45 4.22 22.48 26.68 91.46 50.74 -63.17 -41.78 0.44 0.00 99.56 0.07 0.03 0.25 99.59 0.05 0.00 0.00 0.00 76 Q H H 95.75 3.02 21.98 24.45 91.83 49.21 -65.15 -40.62 0.77 0.00 99.23 0.11 0.05 0.48 99.25 0.11 0.00 0.00 0.00 77 A H H 15.77 14.69 14.72 30.55 91.85 51.20 -64.55 -40.79 1.75 0.00 98.25 0.32 0.14 1.07 98.20 0.27 0.00 0.00 0.00 78 K H H 100.10 8.36 16.50 25.70 91.87 52.56 -64.30 -39.38 5.22 0.02 94.75 1.04 0.45 3.34 94.47 0.68 0.00 0.01 0.01 79 K H H 143.56 1.48 16.66 17.64 92.56 51.85 -66.31 -36.57 10.99 0.05 88.96 2.11 1.12 7.13 88.31 1.28 0.01 0.02 0.02 80 A H H 69.45 3.94 13.14 18.37 94.39 54.17 -71.35 -28.11 25.23 0.18 74.59 6.00 2.96 15.79 73.47 1.60 0.02 0.06 0.10 81 T C H 79.96 6.46 10.40 18.15 98.78 54.51 -82.72 -9.18 54.25 0.36 45.39 27.41 1.43 22.87 46.49 1.43 0.00 0.13 0.23 82 A C C 74.69 4.34 12.03 17.90 103.10 90.41 -76.52 28.54 99.93 0.02 0.05 99.81 0.06 0.08 0.03 0.00 0.00 0.01 0.00