# 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 105.21 7.73 13.68 22.45 115.61 -158.05 -94.00 129.91 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.00 1 S C C 68.69 5.52 12.95 20.02 116.75 -159.01 -96.36 143.83 95.87 3.00 1.14 88.63 1.55 5.94 0.26 0.62 0.00 2.41 0.58 2 N C C 105.79 5.34 14.62 21.20 103.87 -137.83 -90.53 61.40 89.71 8.98 1.31 54.44 22.30 12.50 0.13 1.47 0.00 8.45 0.71 3 Q C C 61.49 12.53 13.86 27.08 119.76 136.09 -100.34 140.07 65.47 33.70 0.83 48.19 13.62 2.48 0.09 0.83 0.00 34.10 0.68 4 R E E 100.57 9.97 20.58 30.88 124.54 -153.92 -116.64 138.69 21.57 78.31 0.12 19.50 1.69 0.16 0.03 0.08 0.00 78.01 0.53 5 I E E 8.35 23.51 16.27 40.21 122.00 -161.05 -116.57 132.50 3.63 96.36 0.01 3.53 0.11 0.01 0.00 0.00 0.00 96.25 0.10 6 R E E 83.51 9.52 25.59 35.43 117.67 -158.76 -110.11 126.48 1.18 98.82 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.82 0.02 7 I E E 5.11 25.20 17.41 43.37 120.08 -166.07 -113.91 128.37 0.61 99.39 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.37 0.01 8 R E E 82.97 9.39 27.00 36.89 117.13 -162.01 -109.13 124.52 0.53 99.47 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 9 L E E 3.69 26.12 17.31 44.31 123.56 -170.23 -116.14 137.05 1.39 98.61 0.00 1.40 0.02 0.00 0.00 0.00 0.00 98.55 0.02 10 K E E 81.46 9.13 27.00 36.64 125.63 -169.77 -122.62 138.70 4.40 95.60 0.01 4.15 0.16 0.01 0.00 0.00 0.00 95.52 0.15 11 S E E 8.67 21.69 15.03 36.76 139.40 161.93 -149.20 160.68 29.64 70.32 0.04 28.52 0.95 0.08 0.01 0.03 0.00 69.45 0.97 12 F C S 113.99 7.20 21.30 29.27 94.55 -131.95 -79.29 -20.99 99.11 0.87 0.02 5.12 93.69 0.52 0.00 0.01 0.00 0.61 0.05 13 D C C 60.16 8.52 18.51 28.16 111.44 68.86 -108.92 108.22 99.09 0.82 0.09 73.41 25.47 0.35 0.04 0.03 0.00 0.33 0.35 14 H H H 93.52 12.53 14.66 27.75 93.17 -167.19 -63.07 -34.98 2.68 0.01 97.31 0.42 0.42 1.67 96.75 0.73 0.00 0.00 0.00 15 R H H 157.61 1.65 21.47 22.23 91.82 55.60 -64.09 -40.57 1.37 0.00 98.63 0.12 0.12 1.06 97.97 0.73 0.00 0.00 0.00 16 L H H 37.68 12.18 18.68 31.76 92.06 48.32 -65.57 -41.18 0.52 0.00 99.48 0.08 0.04 0.32 98.87 0.68 0.00 0.00 0.00 17 I H H 5.39 24.73 15.02 39.94 91.22 51.00 -63.00 -43.52 0.21 0.00 99.79 0.04 0.02 0.10 99.74 0.10 0.00 0.00 0.00 18 D H H 67.10 8.78 23.39 32.24 91.53 50.33 -63.65 -42.24 0.20 0.00 99.80 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 19 Q H H 93.41 3.24 26.42 29.01 91.68 49.17 -64.51 -42.08 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 20 S H H 6.83 20.09 20.93 40.99 91.83 49.60 -64.37 -42.43 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 21 A H H 6.74 22.68 20.38 42.67 91.27 51.70 -62.72 -42.42 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 22 Q H H 98.30 4.36 26.60 31.17 91.55 50.98 -63.97 -41.64 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 23 E H H 70.23 9.10 25.26 34.72 91.63 49.70 -64.71 -42.28 0.06 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 I H H 1.77 26.90 20.53 47.70 91.21 49.14 -63.78 -43.74 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 25 V H H 26.27 17.23 22.38 39.07 91.33 49.84 -62.90 -43.07 0.13 0.00 99.87 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 26 E H H 100.88 2.56 26.88 28.15 91.45 50.06 -63.51 -42.09 0.31 0.00 99.69 0.04 0.01 0.16 99.76 0.03 0.00 0.00 0.00 27 T H H 17.92 14.36 21.12 36.21 91.81 49.47 -64.42 -42.44 0.63 0.00 99.37 0.04 0.03 0.44 99.42 0.07 0.00 0.00 0.00 28 A H H 3.24 24.49 14.88 39.66 91.25 51.06 -63.32 -42.06 1.14 0.00 98.85 0.14 0.08 0.75 98.75 0.28 0.00 0.00 0.00 29 K H H 130.17 4.73 19.98 26.05 91.33 50.74 -63.21 -39.84 2.32 0.01 97.67 0.28 0.13 1.78 96.64 1.17 0.00 0.01 0.00 30 R H H 158.04 2.57 19.91 22.69 90.91 53.58 -65.91 -29.84 9.07 0.02 90.91 0.29 0.34 8.54 89.80 0.99 0.02 0.01 0.01 31 T C T 41.70 14.25 14.44 29.09 94.67 47.60 -91.01 -0.65 58.95 0.06 40.99 0.58 1.62 55.93 40.43 1.36 0.01 0.02 0.05 32 G C T 52.41 2.19 22.03 23.65 97.03 -103.83 87.29 11.93 99.81 0.03 0.16 4.50 2.19 93.19 0.05 0.04 0.00 0.02 0.01 33 A C C 11.53 22.71 9.82 31.69 120.04 142.94 -84.27 148.39 97.73 2.25 0.02 96.05 1.66 0.09 0.00 0.01 0.00 2.10 0.09 34 Q E E 115.16 3.12 24.74 27.78 112.24 -129.12 -90.52 127.27 22.66 77.28 0.06 21.82 0.82 0.09 0.02 0.04 0.00 76.30 0.91 35 V E E 32.52 22.62 11.95 33.51 118.36 -159.61 -106.07 127.22 7.68 92.29 0.03 7.65 0.21 0.02 0.02 0.01 0.00 88.98 3.11 36 C E E 69.36 6.37 20.49 27.37 109.90 -171.40 -107.91 30.17 27.77 72.20 0.03 22.43 4.84 0.22 0.00 0.03 0.00 71.74 0.73 37 G C E 31.15 5.24 20.78 26.57 133.21 -34.92 115.41 -175.86 56.32 43.66 0.02 21.16 34.14 0.44 0.00 0.02 0.00 43.97 0.28 38 P C C 67.62 12.72 16.60 29.22 114.99 -59.93 -70.64 145.32 64.23 35.75 0.02 56.57 5.70 0.15 0.00 0.02 0.00 37.01 0.55 39 I E E 33.49 16.82 15.47 32.75 118.64 -153.36 -114.66 126.53 23.60 76.38 0.01 21.67 1.33 0.04 0.01 0.01 0.00 69.94 7.01 40 P E E 79.77 5.60 22.90 29.02 114.64 -115.91 -68.74 143.16 35.16 64.83 0.01 34.23 1.01 0.04 0.00 0.01 0.00 61.40 3.31 41 M C C 40.02 21.09 12.63 32.81 116.90 -120.22 -86.29 137.67 90.38 9.61 0.01 87.75 3.01 0.05 0.00 0.01 0.00 8.56 0.61 42 P C C 44.24 10.87 16.94 29.03 114.23 -104.69 -66.24 148.34 92.97 6.94 0.09 89.82 2.97 0.29 0.02 0.07 0.00 6.25 0.58 43 T C C 90.35 6.48 15.79 23.79 100.69 -151.08 -90.81 -12.60 79.63 20.19 0.18 42.88 36.20 1.01 0.02 0.19 0.00 18.96 0.74 44 R E E 123.57 4.42 17.98 23.50 126.27 58.35 -117.73 144.60 22.67 77.17 0.16 17.27 5.10 0.45 0.02 0.14 0.00 76.55 0.47 45 I E E 78.55 13.81 12.71 26.46 124.13 -160.06 -120.16 135.66 5.61 94.32 0.07 5.17 0.34 0.05 0.02 0.03 0.00 94.26 0.14 46 E E E 76.65 8.18 16.81 26.43 125.20 -170.11 -122.63 140.47 1.29 98.69 0.02 1.16 0.08 0.01 0.00 0.01 0.00 98.70 0.04 47 R E E 130.12 7.82 15.87 25.29 119.73 -146.05 -107.18 132.45 1.03 98.96 0.01 0.91 0.05 0.01 0.00 0.01 0.00 99.00 0.02 48 F E E 47.07 13.18 14.02 28.50 130.54 -175.36 -130.74 150.83 1.70 98.27 0.03 1.57 0.08 0.02 0.01 0.02 0.00 98.28 0.04 49 N E E 79.17 7.42 18.17 26.72 119.63 -136.96 -106.62 134.89 3.05 96.92 0.03 2.93 0.12 0.02 0.01 0.02 0.00 96.78 0.13 50 V E E 28.73 15.48 14.02 30.31 121.69 -164.08 -116.28 132.82 11.10 88.80 0.10 10.17 0.76 0.11 0.03 0.05 0.00 88.09 0.78 51 L E E 77.79 7.04 17.30 25.66 112.33 -133.01 -85.86 126.76 40.72 59.08 0.20 33.06 6.69 0.64 0.06 0.14 0.00 58.27 1.14 52 T C C 52.80 11.05 12.79 24.89 108.90 -169.19 -101.30 65.72 71.50 28.25 0.25 53.15 16.83 1.37 0.06 0.23 0.00 26.47 1.90 53 S C C 42.60 6.14 13.27 21.27 122.29 -35.17 -115.00 145.74 85.79 13.78 0.43 66.72 17.05 2.06 0.14 0.38 0.00 9.92 3.73 54 P C T 99.11 4.16 11.41 17.26 93.63 -118.02 -65.05 -20.93 94.78 0.51 4.71 3.65 20.03 71.27 0.58 3.92 0.00 0.30 0.24 55 H C T 151.40 1.47 11.87 13.59 97.87 54.58 -87.37 -8.53 94.37 0.84 4.78 4.60 19.30 70.59 0.71 3.93 0.00 0.53 0.35 56 V C S 79.14 6.24 8.99 16.76 113.10 60.04 -101.70 100.11 79.06 13.98 6.97 26.43 36.92 16.34 1.69 4.97 0.04 7.64 5.97 57 N C C 91.19 4.56 10.83 16.91 111.04 -90.96 -94.57 111.66 86.99 8.99 4.03 69.75 10.04 6.72 1.29 2.92 0.00 7.08 2.19 58 K C T 148.12 3.33 11.05 16.23 97.00 -159.06 -71.34 -17.74 75.43 6.81 17.75 12.53 13.73 49.93 2.42 14.95 0.03 4.92 1.48 59 D C T 114.68 1.71 14.10 16.04 97.08 60.57 -84.65 0.50 75.80 6.68 17.52 14.22 13.02 49.22 2.27 14.89 0.02 5.22 1.15 60 A C C 38.00 10.86 9.70 21.79 111.80 110.54 -83.07 127.79 71.71 12.56 15.74 49.53 14.14 8.45 2.34 13.62 0.01 10.22 1.70 61 R C C 120.40 7.74 13.78 22.72 116.28 -157.32 -96.98 135.35 59.88 34.20 5.91 45.98 8.91 4.62 1.51 4.69 0.00 30.39 3.90 62 D C E 80.42 8.51 14.42 23.83 110.18 -150.39 -96.29 95.52 50.56 46.56 2.89 37.74 9.39 3.18 0.44 2.37 0.00 46.00 0.88 63 Q E E 91.33 7.61 15.91 24.65 122.55 -161.05 -114.42 140.42 23.78 75.86 0.36 19.39 3.48 0.73 0.08 0.27 0.00 75.65 0.40 64 Y E E 74.69 14.29 12.57 27.21 128.92 -170.61 -126.79 147.60 4.43 95.54 0.03 4.05 0.21 0.03 0.01 0.01 0.00 95.60 0.09 65 E E E 88.97 7.01 18.45 26.65 124.02 -157.14 -119.61 138.49 0.66 99.34 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.37 0.01 66 I E E 58.08 14.52 14.67 29.52 120.22 -152.95 -108.95 131.21 0.57 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 67 R E E 87.18 9.82 18.47 29.26 122.21 -168.75 -117.81 134.89 0.84 99.15 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.01 68 T E E 51.10 12.27 17.60 30.53 121.23 -158.67 -111.70 133.38 1.79 98.21 0.00 1.57 0.09 0.01 0.00 0.00 0.00 98.29 0.03 69 Y E E 47.21 14.41 17.17 32.47 127.08 -173.38 -125.08 141.55 3.34 96.65 0.01 2.97 0.25 0.02 0.00 0.00 0.00 96.69 0.07 70 K E E 93.28 10.60 20.82 31.60 122.94 -153.56 -111.51 138.15 6.10 93.89 0.01 5.54 0.31 0.02 0.00 0.00 0.00 94.08 0.06 71 R E E 36.51 18.71 17.72 36.07 127.64 -169.26 -124.64 142.43 3.93 96.06 0.00 3.62 0.19 0.01 0.00 0.00 0.00 96.14 0.05 72 L E E 42.56 11.39 23.55 35.76 118.16 -148.97 -108.45 128.33 0.97 99.03 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.02 73 I E E 6.81 23.90 18.05 42.42 120.79 -165.98 -114.24 129.29 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 74 D E E 47.11 9.70 26.25 36.60 115.99 -159.31 -105.63 123.41 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 75 I E E 9.46 23.23 16.70 40.43 115.06 -162.04 -105.56 122.03 3.66 96.33 0.01 3.56 0.08 0.01 0.00 0.00 0.00 96.18 0.16 76 V E E 52.03 9.28 21.24 31.30 121.71 -166.52 -106.77 141.63 36.02 63.95 0.03 17.55 17.88 0.55 0.00 0.03 0.00 63.57 0.41 77 Q C S 120.01 3.83 22.83 26.94 94.61 2.68 57.69 52.82 89.66 10.33 0.01 9.51 78.87 0.76 0.00 0.01 0.00 10.69 0.15 78 P C C 17.59 22.81 9.82 31.70 117.45 -158.46 -71.40 146.11 95.49 4.46 0.06 92.09 3.56 0.19 0.02 0.03 0.00 3.63 0.48 79 T C C 60.24 4.66 20.38 25.18 123.67 -131.54 -86.00 167.24 98.77 0.98 0.25 97.55 1.27 0.14 0.16 0.04 0.00 0.35 0.49 80 D H H 109.83 3.52 15.40 20.67 91.38 -97.62 -59.96 -37.00 3.19 0.00 96.81 0.35 0.58 2.08 96.43 0.55 0.00 0.00 0.00 81 K H H 135.28 1.86 19.09 20.40 91.81 52.89 -65.21 -40.01 1.70 0.00 98.29 0.15 0.15 1.29 97.81 0.60 0.00 0.00 0.00 82 T H H 18.56 17.39 15.53 33.03 92.57 48.29 -66.12 -42.19 0.63 0.00 99.36 0.09 0.05 0.41 98.93 0.51 0.00 0.00 0.00 83 V H H 16.83 18.82 15.91 34.79 91.37 50.91 -62.59 -43.12 0.18 0.00 99.82 0.02 0.01 0.10 99.65 0.21 0.00 0.00 0.00 84 D H H 81.01 2.83 22.78 24.78 91.38 50.50 -63.68 -40.40 0.41 0.00 99.59 0.03 0.02 0.29 99.25 0.41 0.00 0.00 0.00 85 A H H 29.84 8.67 19.16 29.37 91.71 51.63 -64.43 -41.23 0.93 0.00 99.07 0.05 0.03 0.74 98.18 0.99 0.00 0.00 0.00 86 L H H 9.54 23.70 14.77 38.14 92.21 51.90 -65.85 -37.33 2.56 0.01 97.43 0.16 0.13 2.11 95.55 2.04 0.00 0.01 0.00 87 M H H 80.52 12.44 17.57 30.00 91.49 57.70 -68.81 -23.41 26.35 0.10 73.55 1.18 1.06 23.99 70.90 2.72 0.04 0.05 0.06 88 K C T 152.26 1.58 20.26 20.92 95.07 56.60 -84.69 -8.61 62.04 0.27 37.69 3.49 2.73 53.60 36.95 2.93 0.02 0.13 0.15 89 L C C 44.90 17.24 10.74 27.47 117.12 98.74 -81.85 141.59 88.84 3.10 8.06 43.88 37.10 7.44 7.35 1.48 0.02 1.47 1.25 90 D C C 110.78 2.62 20.91 23.78 108.56 -128.84 -87.85 110.39 84.35 10.89 4.76 74.76 4.06 5.06 3.26 1.51 0.00 8.27 3.08 91 L C C 38.51 21.07 11.25 30.75 121.62 -172.71 -107.57 136.41 73.68 22.44 3.88 64.88 5.50 1.89 2.89 1.35 0.01 12.59 10.88 92 A C C 44.63 8.77 17.90 27.57 116.95 -110.85 -71.48 153.90 89.47 7.44 3.10 83.23 3.58 2.84 1.40 1.42 0.00 5.04 2.48 93 A C T 75.31 5.53 16.66 23.54 111.53 -89.72 -63.93 139.48 94.38 3.04 2.58 2.86 8.21 83.80 0.45 1.78 0.00 2.04 0.85 94 G C T 46.11 4.42 18.72 24.12 95.69 22.81 85.96 -4.45 96.35 2.45 1.20 3.99 7.70 84.76 0.12 1.01 0.00 2.17 0.25 95 V C C 22.27 20.20 11.15 31.16 120.20 119.14 -97.72 135.65 63.77 36.01 0.22 56.69 5.49 0.51 0.05 0.18 0.00 35.96 1.12 96 D E E 86.03 4.62 23.85 28.78 115.57 -146.50 -101.74 126.29 19.58 80.32 0.10 18.43 0.82 0.15 0.03 0.05 0.00 79.97 0.56 97 V E E 20.96 23.78 12.29 35.31 125.84 -171.06 -123.69 136.81 10.07 89.91 0.02 9.73 0.21 0.02 0.01 0.01 0.00 89.91 0.12 98 Q E E 92.02 5.10 25.38 30.81 121.93 -166.41 -118.90 134.13 3.66 96.33 0.01 3.52 0.09 0.01 0.00 0.00 0.00 96.34 0.04 99 I E E 29.62 22.74 13.51 35.52 122.31 -164.28 -116.93 130.63 3.39 96.61 0.01 3.47 0.04 0.00 0.00 0.00 0.00 96.41 0.06 100 A E E 51.64 5.96 22.13 28.74 126.97 -174.28 -124.52 143.76 4.03 95.96 0.01 4.04 0.07 0.01 0.00 0.00 0.00 95.69 0.18 101 L E E 72.50 14.48 12.55 26.80 117.56 -141.12 -98.97 131.88 19.84 80.12 0.05 19.54 0.27 0.07 0.01 0.02 0.00 79.51 0.58 102 G C C 41.27 5.37 18.38 24.37 118.85 53.72 93.98 162.66 99.22 0.78 0.00 99.18 0.09 0.02 0.00 0.00 0.00 0.70 0.01