# 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 108.39 7.22 14.96 23.22 111.99 9.02 -97.57 116.90 99.67 0.33 0.00 99.68 0.07 0.01 0.00 0.00 0.00 0.23 0.01 1 Q E E 83.69 9.54 14.73 25.18 123.77 -159.79 -112.02 141.91 37.75 62.21 0.04 36.96 0.61 0.09 0.01 0.02 0.00 61.60 0.70 2 K E E 103.92 8.80 17.74 27.61 126.32 -155.78 -119.99 140.97 11.85 88.12 0.03 10.90 0.75 0.06 0.01 0.02 0.00 87.91 0.36 3 A E E 11.10 20.57 14.79 35.34 128.18 -165.67 -124.78 145.01 4.10 95.89 0.01 3.97 0.13 0.01 0.00 0.00 0.00 95.79 0.10 4 R E E 100.21 8.54 24.17 33.10 120.51 -152.09 -114.46 130.62 2.31 97.69 0.00 2.19 0.08 0.00 0.00 0.00 0.00 97.69 0.04 5 I E E 7.86 24.61 16.47 41.50 119.69 -163.30 -112.28 128.31 1.70 98.30 0.00 1.76 0.03 0.00 0.00 0.00 0.00 98.18 0.03 6 K E E 83.36 8.76 26.56 35.71 119.04 -163.97 -113.46 127.21 1.35 98.64 0.00 1.36 0.03 0.00 0.00 0.00 0.00 98.57 0.03 7 L E E 5.78 25.45 16.70 42.66 122.94 -169.43 -118.06 134.42 3.66 96.34 0.01 3.76 0.06 0.01 0.00 0.00 0.00 96.02 0.14 8 A E E 40.04 9.67 26.12 36.10 128.30 -172.70 -124.35 143.78 12.63 87.34 0.03 11.78 0.69 0.06 0.01 0.02 0.00 86.93 0.52 9 S E E 13.35 19.33 15.34 34.83 140.82 150.93 -153.32 160.74 46.62 53.30 0.08 42.73 2.82 0.22 0.02 0.06 0.00 52.51 1.64 10 T C S 86.58 6.29 19.97 27.20 95.86 -138.25 -90.59 -11.22 99.36 0.61 0.03 5.55 93.52 0.50 0.00 0.01 0.00 0.36 0.06 11 N C C 72.79 6.55 19.03 26.70 109.78 79.94 -101.75 107.65 99.41 0.47 0.12 69.53 29.63 0.32 0.06 0.03 0.00 0.16 0.25 12 V H H 62.34 14.24 13.64 28.16 93.68 -168.53 -63.28 -36.74 2.74 0.01 97.25 0.61 0.44 1.45 96.64 0.84 0.00 0.00 0.00 13 R H H 162.52 1.39 21.04 21.13 91.87 54.19 -64.08 -40.76 1.62 0.00 98.38 0.18 0.14 1.16 97.48 1.03 0.00 0.00 0.00 14 S H H 35.43 8.39 18.86 28.56 92.08 48.72 -65.68 -39.78 1.14 0.01 98.85 0.25 0.09 0.68 97.68 1.28 0.00 0.00 0.00 15 L H H 5.53 24.31 13.80 38.18 91.67 51.73 -63.67 -42.89 0.34 0.00 99.66 0.08 0.03 0.16 99.56 0.18 0.00 0.00 0.00 16 E H H 87.19 9.07 22.24 31.45 91.43 51.11 -63.34 -41.05 0.13 0.00 99.86 0.02 0.00 0.06 99.89 0.02 0.00 0.00 0.00 17 E H H 106.52 2.31 25.82 26.67 91.50 50.19 -64.24 -42.13 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 18 V H H 12.32 18.38 21.10 39.57 91.72 49.15 -64.26 -43.33 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 19 A H H 5.38 22.52 19.22 41.69 91.30 51.23 -62.74 -42.75 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 20 N H H 83.82 3.74 25.74 29.18 91.45 50.86 -63.66 -41.62 0.18 0.00 99.82 0.01 0.00 0.14 99.83 0.02 0.00 0.00 0.00 21 Q H H 69.69 7.73 24.00 32.11 91.63 50.30 -64.53 -42.19 0.25 0.00 99.75 0.01 0.01 0.21 99.75 0.03 0.00 0.00 0.00 22 I H H 3.90 25.57 18.66 44.42 91.80 49.74 -64.05 -42.94 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 23 K H H 72.86 14.60 21.58 35.17 91.35 51.74 -62.04 -42.39 0.08 0.00 99.92 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 24 Q H H 100.70 2.08 25.29 25.50 91.67 50.08 -63.82 -41.87 0.19 0.00 99.81 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 25 I H H 26.37 12.87 19.96 33.93 91.87 49.20 -64.26 -42.77 0.31 0.00 99.69 0.02 0.01 0.20 99.73 0.03 0.00 0.00 0.00 26 A H H 5.50 21.86 13.66 35.83 91.47 51.10 -63.56 -42.39 0.53 0.00 99.47 0.06 0.03 0.32 99.49 0.09 0.00 0.00 0.00 27 E H H 126.06 3.49 18.66 23.15 91.66 50.49 -63.91 -39.65 1.40 0.00 98.59 0.16 0.07 1.05 98.24 0.48 0.00 0.00 0.00 28 R H H 161.60 2.16 18.20 20.30 91.39 52.57 -66.94 -29.61 5.53 0.01 94.46 0.17 0.22 5.13 93.96 0.50 0.01 0.00 0.00 29 T H H 46.48 12.66 13.26 26.56 95.41 46.50 -92.29 -1.64 28.95 0.06 70.99 0.67 1.69 26.33 70.39 0.82 0.04 0.01 0.04 30 G C T 55.63 1.69 20.36 21.05 95.72 -107.07 83.42 13.35 99.81 0.05 0.13 13.50 3.98 82.38 0.05 0.04 0.00 0.04 0.01 31 V C C 24.21 20.15 9.12 28.54 118.51 142.90 -91.23 138.35 97.77 2.21 0.02 95.65 2.17 0.08 0.00 0.01 0.00 1.96 0.12 32 R C C 164.65 1.92 22.80 23.99 110.83 -128.79 -87.91 121.65 54.09 45.86 0.05 53.41 0.79 0.09 0.01 0.03 0.00 44.85 0.82 33 M E E 46.30 21.72 10.06 30.05 122.99 -171.66 -112.75 137.57 16.47 83.47 0.07 15.98 0.52 0.06 0.04 0.03 0.00 76.26 7.10 34 S E E 69.97 4.19 19.84 24.70 117.30 -172.10 -114.37 136.11 31.71 68.24 0.05 26.06 5.33 0.34 0.01 0.04 0.00 66.54 1.68 35 G C E 32.42 4.89 20.00 25.57 134.29 -31.91 116.51 -176.50 56.59 43.40 0.01 24.40 31.86 0.40 0.00 0.02 0.00 42.98 0.35 36 P C C 63.21 13.41 15.45 28.76 116.01 -51.71 -71.11 145.02 63.88 36.10 0.02 56.56 5.64 0.12 0.00 0.02 0.00 37.02 0.64 37 I E E 45.26 14.10 16.08 31.12 118.74 -155.03 -114.93 125.33 18.05 81.93 0.01 16.69 0.94 0.02 0.00 0.01 0.00 74.93 7.39 38 P E E 79.27 6.28 21.09 28.13 114.81 -116.35 -68.05 143.07 29.28 70.70 0.01 28.96 0.71 0.03 0.00 0.01 0.00 67.14 3.16 39 L C C 36.94 20.26 11.64 31.05 117.60 -121.53 -83.49 141.88 91.87 8.11 0.01 89.93 2.60 0.05 0.00 0.01 0.00 6.93 0.47 40 P C C 60.48 7.38 18.27 26.64 114.68 -101.81 -66.69 151.42 95.15 4.81 0.04 88.48 6.46 0.26 0.01 0.04 0.00 4.39 0.35 41 T C C 77.10 10.21 13.79 24.68 112.68 -141.98 -98.44 131.87 54.40 45.49 0.11 45.15 8.13 0.36 0.02 0.11 0.00 44.93 1.31 42 K E E 108.38 6.45 15.35 23.25 122.66 -149.27 -111.07 140.59 13.82 86.13 0.05 11.63 1.78 0.12 0.01 0.04 0.00 86.06 0.37 43 R E E 132.20 7.69 13.90 23.21 120.01 -151.89 -109.25 132.55 3.03 96.96 0.01 2.77 0.15 0.01 0.00 0.01 0.00 96.98 0.07 44 I E E 60.17 10.91 12.96 25.31 119.33 -160.65 -110.38 132.12 0.99 99.00 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.01 0.03 45 R E E 138.27 5.15 16.01 22.84 118.12 -154.23 -108.10 128.08 0.63 99.37 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.40 0.01 46 I E E 51.27 12.35 12.24 25.88 120.86 -169.24 -117.33 131.64 1.25 98.75 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.81 0.02 47 V E E 78.44 5.33 17.25 23.67 116.44 -137.48 -92.80 137.37 3.24 96.75 0.01 2.96 0.12 0.01 0.00 0.00 0.00 96.85 0.05 48 T E E 45.98 13.09 11.69 25.40 124.34 -166.25 -116.66 143.46 7.22 92.71 0.07 6.46 0.62 0.09 0.02 0.03 0.00 92.35 0.42 49 R E E 131.16 5.38 14.55 21.36 116.50 -133.11 -93.40 134.79 15.67 84.22 0.11 13.32 2.41 0.30 0.03 0.08 0.00 82.87 0.99 50 K E E 122.11 5.53 12.96 20.12 116.25 -140.17 -91.33 138.92 47.82 51.98 0.19 39.48 7.41 0.60 0.07 0.17 0.00 48.56 3.71 51 S C C 40.19 7.94 9.44 19.30 117.15 -110.92 -83.41 147.12 92.71 7.13 0.16 86.76 5.41 0.59 0.04 0.12 0.00 6.07 1.00 52 P C T 107.90 2.38 11.06 14.91 93.37 -126.55 -66.45 -20.98 94.42 1.15 4.43 10.51 28.77 54.84 0.37 4.37 0.00 0.75 0.39 53 D C T 108.28 1.98 10.25 13.05 97.77 59.17 -88.07 -1.12 92.91 1.28 5.81 6.10 28.89 57.83 0.52 5.31 0.00 0.69 0.66 54 G C S 53.29 2.98 9.55 14.17 99.36 -106.36 79.18 5.16 89.23 1.99 8.78 16.68 46.07 26.24 0.87 8.04 0.00 0.97 1.13 55 E C T 138.51 1.79 10.50 13.33 101.64 106.45 -88.56 8.91 88.73 2.36 8.91 25.56 27.66 35.49 1.22 7.74 0.00 1.16 1.17 56 G C S 52.53 2.71 10.77 14.79 105.12 -97.00 81.29 2.69 86.58 4.67 8.75 28.47 29.88 28.66 1.14 7.58 0.01 2.43 1.85 57 S C C 67.83 3.63 10.60 15.89 116.25 119.57 -91.87 146.00 85.55 6.93 7.52 44.09 29.85 12.06 1.19 6.44 0.00 4.38 1.99 58 A C C 77.49 4.05 11.55 17.25 105.08 -118.48 -81.75 66.84 82.26 14.04 3.70 52.66 22.54 7.25 0.55 3.36 0.00 12.17 1.47 59 T C C 69.73 6.06 11.90 19.65 122.38 127.69 -112.12 145.14 58.34 40.88 0.78 48.17 7.81 1.52 0.15 0.66 0.00 40.35 1.35 60 F E E 101.94 8.81 11.43 21.64 121.11 -144.90 -109.77 137.74 17.55 82.37 0.07 16.03 1.12 0.15 0.02 0.05 0.00 81.82 0.81 61 D E E 73.87 7.07 13.80 22.47 120.29 -158.16 -107.81 138.78 5.14 94.85 0.01 4.62 0.30 0.03 0.00 0.01 0.00 94.92 0.12 62 R E E 130.84 6.64 14.03 22.37 120.35 -145.58 -105.77 134.60 3.27 96.73 0.00 3.04 0.10 0.00 0.00 0.00 0.00 96.80 0.06 63 W E E 83.70 11.46 12.25 24.97 125.95 -170.96 -118.20 145.96 5.39 94.60 0.00 5.26 0.06 0.00 0.00 0.00 0.00 94.64 0.05 64 E E E 99.08 6.14 16.79 24.31 122.15 -150.94 -112.16 137.25 1.98 98.02 0.00 1.85 0.04 0.00 0.00 0.00 0.00 98.06 0.04 65 L E E 54.60 13.97 13.19 27.60 124.82 -167.14 -115.86 140.28 2.26 97.74 0.00 2.11 0.05 0.00 0.00 0.00 0.00 97.81 0.03 66 R E E 104.36 7.96 17.87 26.91 118.49 -147.11 -103.05 130.20 2.00 98.00 0.00 1.86 0.05 0.00 0.00 0.00 0.00 98.05 0.03 67 I E E 55.36 12.81 15.95 29.68 119.18 -160.77 -110.07 129.05 3.28 96.72 0.00 2.95 0.14 0.01 0.00 0.00 0.00 96.83 0.06 68 H E E 52.88 12.24 17.21 30.60 122.99 -169.98 -117.18 138.29 3.52 96.48 0.00 3.10 0.22 0.01 0.00 0.00 0.00 96.59 0.07 69 K E E 91.23 11.15 19.01 30.46 125.44 -164.46 -121.51 140.42 5.84 94.15 0.00 5.42 0.21 0.01 0.00 0.00 0.00 94.30 0.07 70 R E E 52.42 16.33 17.09 33.43 128.72 -169.35 -128.15 140.44 3.91 96.08 0.00 3.69 0.12 0.00 0.00 0.00 0.00 96.13 0.05 71 L E E 55.88 10.49 21.95 33.12 119.36 -152.82 -110.61 129.60 1.26 98.73 0.00 1.17 0.04 0.00 0.00 0.00 0.00 98.77 0.02 72 I E E 11.49 22.19 16.85 39.42 121.59 -166.41 -116.98 131.47 0.35 99.65 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.65 0.01 73 D E E 56.70 8.52 24.93 33.98 116.06 -158.41 -104.50 125.38 0.73 99.27 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.02 74 I E E 11.35 23.37 14.81 38.38 124.06 -171.99 -122.89 134.09 11.36 88.55 0.09 10.71 0.51 0.09 0.03 0.04 0.00 88.28 0.34 75 E E E 111.12 4.41 24.90 29.53 111.76 -145.89 -96.14 119.33 45.14 54.73 0.13 38.93 4.47 0.46 0.03 0.10 0.00 55.22 0.78 76 A C C 18.26 21.38 11.36 31.49 129.64 135.13 -121.78 154.78 84.07 15.64 0.29 75.36 7.84 0.49 0.14 0.15 0.00 14.80 1.22 77 D C C 71.67 4.73 19.63 24.45 119.89 -113.22 -81.99 161.20 97.92 1.61 0.46 97.01 1.15 0.19 0.33 0.06 0.00 0.96 0.31 78 E H H 126.45 4.43 14.94 21.04 91.94 -106.71 -59.49 -35.79 2.99 0.01 97.01 0.44 0.39 1.92 96.52 0.72 0.00 0.00 0.00 79 R H H 144.25 2.01 18.88 20.36 91.78 52.89 -64.57 -39.94 1.61 0.00 98.38 0.16 0.13 1.22 97.66 0.83 0.00 0.00 0.00 80 A H H 12.03 16.31 14.34 31.61 92.04 49.81 -65.00 -41.78 0.60 0.00 99.40 0.10 0.05 0.39 98.52 0.95 0.00 0.00 0.00 81 M H H 39.12 15.82 15.44 31.43 91.54 51.82 -63.00 -41.77 0.20 0.00 99.80 0.03 0.01 0.12 99.40 0.43 0.00 0.00 0.00 82 R H H 129.64 2.52 20.86 22.78 91.64 51.00 -64.12 -40.48 0.29 0.00 99.71 0.02 0.01 0.21 99.02 0.74 0.00 0.00 0.00 83 Q H H 73.42 7.41 18.79 27.12 92.00 50.93 -65.22 -40.72 0.65 0.00 99.35 0.04 0.02 0.52 98.19 1.23 0.00 0.00 0.00 84 I H H 16.56 21.71 13.84 35.31 92.23 51.77 -65.23 -38.94 1.69 0.00 98.30 0.08 0.07 1.45 95.95 2.45 0.00 0.00 0.00 85 M H H 87.32 10.24 16.78 27.69 91.00 57.65 -68.43 -22.88 29.03 0.05 70.92 0.60 0.74 28.45 67.06 3.06 0.03 0.02 0.04 86 R C T 166.32 1.65 19.14 20.09 94.04 56.87 -84.78 -7.94 67.31 0.13 32.55 1.65 1.82 62.80 30.64 2.93 0.01 0.06 0.09 87 I C C 42.30 17.38 9.59 26.61 115.16 105.80 -77.60 135.11 97.42 1.62 0.96 64.44 31.82 1.28 0.80 0.22 0.00 0.61 0.83 88 R C C 173.99 1.70 20.90 22.09 111.19 -132.75 -88.49 119.69 93.51 6.28 0.20 93.01 1.05 0.19 0.13 0.05 0.00 2.41 3.16 89 V C C 32.09 21.50 9.44 29.24 121.43 -172.13 -106.08 137.90 97.69 2.29 0.02 95.27 2.79 0.03 0.01 0.01 0.00 0.87 1.02 90 P C C 45.12 8.56 15.18 25.68 115.20 -105.35 -64.36 150.83 99.35 0.58 0.07 98.74 0.60 0.18 0.02 0.03 0.00 0.21 0.23 91 E C T 153.02 2.00 15.93 18.56 97.41 -105.73 -64.34 -26.38 99.04 0.37 0.59 1.03 9.81 88.30 0.05 0.45 0.00 0.24 0.11 92 D C T 100.41 3.93 16.80 21.57 94.46 50.45 -78.37 3.72 98.48 1.05 0.47 2.53 7.99 87.93 0.03 0.47 0.00 0.95 0.09 93 V C C 17.99 20.88 9.88 30.22 120.84 101.86 -102.80 133.82 60.24 39.63 0.13 51.56 7.77 0.41 0.02 0.13 0.00 38.83 1.27 94 T E E 69.55 4.98 23.95 29.07 118.84 -158.81 -110.41 130.29 20.96 78.99 0.05 19.85 0.63 0.09 0.01 0.03 0.00 79.04 0.34 95 I E E 25.67 23.32 12.86 35.52 123.10 -168.07 -119.30 131.97 10.93 89.06 0.01 10.64 0.12 0.01 0.00 0.00 0.00 89.15 0.07 96 E E E 87.83 5.36 25.25 30.80 123.98 -169.63 -120.24 135.98 5.68 94.31 0.00 5.62 0.05 0.00 0.00 0.00 0.00 94.29 0.03 97 I E E 31.51 22.40 12.97 34.64 122.16 -162.79 -118.19 130.19 4.51 95.49 0.00 4.62 0.03 0.00 0.00 0.00 0.00 95.31 0.04 98 E E E 92.17 4.98 22.99 28.36 122.10 -170.95 -121.97 133.49 3.99 96.00 0.01 4.05 0.05 0.00 0.00 0.00 0.00 95.83 0.07 99 L E E 65.01 14.98 12.38 27.34 115.63 -141.45 -93.20 127.97 10.31 89.67 0.02 10.18 0.17 0.02 0.01 0.01 0.00 89.36 0.25 100 I E E 82.45 6.72 13.67 22.12 120.47 -169.17 -112.77 138.20 37.30 62.65 0.05 36.67 0.46 0.10 0.01 0.03 0.00 62.07 0.67 101 S C C 81.34 3.50 14.62 19.57 115.32 -121.30 -90.07 137.07 99.28 0.71 0.00 99.23 0.13 0.02 0.00 0.00 0.00 0.61 0.01