# 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 Q C C 121.25 3.93 12.04 17.73 115.23 -162.12 -93.24 131.24 99.89 0.10 0.01 99.82 0.09 0.03 0.00 0.00 0.00 0.05 0.01 1 K C C 153.32 2.36 10.50 14.55 113.50 -141.08 -88.18 132.63 95.04 3.35 1.60 88.11 2.13 4.98 0.55 0.76 0.00 2.05 1.42 2 G C C 40.88 5.50 9.57 16.69 125.24 -148.12 -128.35 173.29 93.47 4.05 2.49 60.77 23.80 8.91 0.46 2.18 0.00 2.49 1.38 3 P C C 92.24 4.07 11.33 16.95 112.41 -64.76 -70.65 145.85 89.10 5.24 5.66 64.43 13.12 11.15 1.01 5.15 0.00 3.86 1.29 4 K C C 145.29 3.33 11.04 16.17 110.41 -133.24 -86.32 121.88 81.81 11.77 6.41 52.63 17.39 11.89 1.48 5.21 0.01 8.02 3.37 5 Y C C 135.62 6.72 10.32 18.46 116.66 -149.46 -102.06 132.44 83.57 12.23 4.20 55.85 21.57 5.96 1.48 2.88 0.01 7.58 4.66 6 T C C 75.60 5.89 11.65 19.29 118.67 -154.29 -105.39 134.06 93.36 5.23 1.42 75.05 17.33 1.28 0.90 0.55 0.00 3.56 1.32 7 P C C 84.02 5.49 11.83 18.91 108.80 -109.90 -66.60 146.06 81.54 5.53 12.93 65.63 7.96 7.80 6.34 6.59 0.00 4.07 1.61 8 A C C 70.94 6.11 11.12 18.60 105.69 -108.62 -75.81 115.44 73.57 5.63 20.80 49.97 12.27 11.09 8.76 12.37 0.01 3.57 1.95 9 A C C 69.41 5.55 11.29 18.29 108.92 64.04 -86.77 108.89 71.07 7.15 21.78 45.12 15.56 10.51 8.81 13.11 0.03 4.56 2.31 10 E C C 126.01 4.52 11.86 18.00 110.20 -124.49 -89.66 119.03 75.47 7.24 17.29 48.88 17.78 9.00 7.86 9.45 0.02 4.49 2.52 11 K C C 118.00 5.75 11.56 18.98 116.27 -139.56 -94.71 130.33 90.96 4.99 4.05 58.48 29.63 3.19 2.38 1.65 0.00 2.76 1.91 12 P C C 81.77 6.52 10.97 19.13 110.71 -113.68 -68.88 142.88 88.66 4.11 7.23 70.99 8.57 9.14 2.55 4.53 0.00 2.83 1.39 13 R C C 154.53 4.47 11.29 17.63 111.78 -139.29 -91.22 128.29 84.98 5.48 9.54 41.67 16.59 27.29 2.42 6.80 0.01 3.02 2.19 14 G C T 47.25 4.72 13.02 19.15 113.56 16.10 99.88 -26.51 87.42 3.75 8.82 29.47 25.45 33.11 1.41 7.19 0.01 2.13 1.23 15 R C C 140.09 5.95 12.90 20.33 112.14 -91.15 -91.61 124.41 83.26 7.09 9.65 44.59 22.91 15.99 1.76 8.19 0.01 4.64 1.91 16 R C C 124.97 8.75 13.36 23.10 113.41 -149.99 -92.71 125.26 78.59 15.30 6.11 48.61 19.81 10.43 1.17 5.19 0.00 12.86 1.94 17 K C C 97.94 9.50 16.91 26.91 116.63 -141.76 -96.47 135.30 64.74 31.92 3.34 45.51 13.84 5.22 0.63 2.73 0.00 30.61 1.46 18 T E E 58.91 12.23 18.19 30.55 121.05 -147.87 -105.35 135.90 43.09 56.13 0.78 35.33 6.39 1.15 0.19 0.54 0.00 55.33 1.06 19 A E E 15.90 18.33 17.91 36.19 126.11 -166.57 -118.31 141.55 18.18 81.61 0.21 16.13 1.53 0.29 0.06 0.12 0.00 81.27 0.59 20 I E E 61.97 10.94 24.70 35.81 120.33 -148.74 -108.33 132.89 8.67 91.26 0.06 7.72 0.58 0.09 0.02 0.03 0.00 91.32 0.23 21 G E E 4.28 22.21 18.15 40.02 139.79 161.16 -147.02 169.96 4.32 95.65 0.03 3.39 0.54 0.07 0.00 0.01 0.00 95.93 0.05 22 Y E E 82.53 9.06 25.94 35.91 125.74 -104.72 -119.57 140.13 1.26 98.73 0.01 1.07 0.08 0.01 0.00 0.00 0.00 98.79 0.04 23 V E E 19.35 21.71 15.56 37.53 109.90 -119.01 -78.45 124.69 1.50 98.49 0.01 1.35 0.06 0.01 0.00 0.00 0.00 98.52 0.06 24 V E E 62.46 7.90 21.33 30.12 102.47 175.98 -100.89 -25.24 6.72 93.21 0.08 5.32 1.09 0.13 0.02 0.04 0.00 93.22 0.19 25 S E E 47.17 7.52 19.98 28.40 135.91 3.51 -148.39 151.59 26.11 73.58 0.32 18.64 6.57 0.98 0.06 0.22 0.00 73.16 0.38 26 D C C 67.83 13.08 12.61 25.64 114.04 -168.22 -121.54 107.66 61.96 36.86 1.17 45.77 11.55 3.30 0.20 0.98 0.00 37.50 0.70 27 K C S 140.96 3.16 15.75 19.85 99.21 143.59 -88.34 -5.01 74.71 22.82 2.46 22.67 34.06 19.16 0.34 2.18 0.02 20.12 1.45 28 M C C 88.08 7.47 11.33 20.27 112.86 85.84 -97.21 122.13 74.06 22.64 3.30 31.44 26.17 18.11 0.62 2.88 0.03 16.21 4.54 29 Q C T 138.26 2.49 15.83 18.88 98.87 -109.60 -66.62 -21.12 97.46 1.09 1.45 7.80 39.59 50.21 0.16 1.25 0.00 0.70 0.29 30 K C T 112.96 8.29 15.73 24.47 99.35 9.40 -96.53 6.78 98.00 1.22 0.79 3.88 42.18 52.12 0.04 0.70 0.00 0.92 0.15 31 T E E 30.91 12.01 17.64 31.03 133.64 66.78 -133.01 150.46 24.44 75.40 0.17 16.91 6.95 1.03 0.03 0.13 0.00 74.17 0.77 32 I E E 10.47 20.34 17.72 38.85 121.05 -150.82 -111.21 134.15 3.84 96.15 0.00 3.43 0.13 0.00 0.00 0.00 0.00 96.36 0.06 33 V E E 25.14 11.39 24.82 37.72 118.25 -156.15 -109.03 128.46 0.40 99.60 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 34 V E E 4.68 23.91 18.21 42.77 120.91 -165.99 -113.04 130.66 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 35 E E E 46.55 10.26 25.05 36.19 119.27 -159.57 -109.05 130.13 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 36 L E E 12.56 20.57 16.61 37.44 123.22 -170.34 -117.87 134.76 0.63 99.37 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 37 E E E 76.29 8.79 21.06 30.43 118.57 -154.13 -104.08 132.21 4.94 95.04 0.02 4.06 0.50 0.05 0.00 0.01 0.00 95.35 0.03 38 D E E 40.35 12.36 16.20 29.52 129.36 167.76 -130.77 148.72 7.16 92.79 0.05 6.02 0.64 0.10 0.01 0.02 0.00 93.14 0.07 39 R E E 113.89 9.03 15.94 26.04 119.97 -137.49 -106.09 133.44 4.40 95.52 0.07 3.87 0.32 0.07 0.02 0.04 0.00 95.57 0.12 40 K E E 81.13 8.44 15.50 25.41 127.99 -173.21 -127.17 147.08 3.03 96.87 0.10 2.45 0.33 0.09 0.03 0.05 0.00 96.94 0.11 41 S E E 64.66 5.16 13.73 20.52 116.01 -121.21 -87.98 134.64 4.40 95.53 0.07 3.85 0.41 0.06 0.04 0.04 0.00 94.86 0.74 42 H C C 50.02 10.64 8.25 20.47 109.99 -141.06 -94.79 117.06 60.99 38.90 0.11 59.24 1.01 0.20 0.03 0.06 0.00 38.57 0.89 43 P C T 112.39 1.30 11.60 13.47 93.09 -149.67 -64.00 -28.23 97.19 0.28 2.53 0.48 2.88 93.92 0.10 2.36 0.00 0.18 0.07 44 L C T 132.73 1.10 11.01 12.36 97.24 48.32 -75.59 -38.15 97.58 0.17 2.25 0.24 2.30 95.24 0.07 2.01 0.00 0.09 0.06 45 Y C T 134.46 3.08 10.30 14.77 101.23 24.09 -105.31 -10.98 98.10 0.23 1.66 0.46 2.60 95.18 0.07 1.51 0.00 0.13 0.06 46 G C C 52.50 2.57 11.35 15.45 96.05 -125.41 73.26 11.43 98.64 0.98 0.37 49.72 5.89 43.00 0.08 0.25 0.00 0.93 0.12 47 K C C 106.73 3.62 12.10 17.58 124.38 124.64 -107.42 151.63 62.50 37.46 0.04 58.32 2.56 0.20 0.00 0.03 0.00 38.28 0.59 48 I E E 93.39 7.59 12.16 21.38 116.45 -123.94 -94.31 131.82 1.66 98.33 0.00 1.55 0.05 0.00 0.00 0.00 0.00 98.22 0.18 49 I E E 58.46 9.34 13.56 24.86 123.30 -168.94 -117.56 138.39 0.69 99.31 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.36 0.00 50 R E E 128.36 8.03 14.37 24.05 121.01 -149.69 -109.19 133.96 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 51 T E E 47.69 9.65 15.03 26.34 128.63 -175.31 -128.10 145.75 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 52 T E E 70.22 9.92 15.24 26.27 123.83 -155.50 -118.75 139.31 1.04 98.96 0.00 0.96 0.02 0.00 0.00 0.00 0.00 99.01 0.01 53 K E E 77.75 10.52 16.63 28.09 129.19 -175.03 -129.65 144.18 1.94 98.06 0.00 1.92 0.06 0.00 0.00 0.00 0.00 97.98 0.04 54 K E E 108.68 8.44 19.28 28.71 118.11 -135.38 -101.47 132.31 5.16 94.84 0.00 4.94 0.23 0.01 0.00 0.00 0.00 94.72 0.09 55 V E E 14.14 20.46 16.10 36.82 125.78 -170.72 -121.83 140.00 8.10 91.89 0.00 7.91 0.26 0.01 0.00 0.00 0.00 91.59 0.22 56 K E E 84.43 9.61 25.13 35.16 119.72 -145.02 -96.66 137.05 8.90 91.09 0.01 8.70 0.30 0.02 0.00 0.00 0.00 90.48 0.48 57 A E E 4.51 24.68 17.15 42.07 130.46 -172.58 -129.98 146.69 17.99 81.97 0.03 17.39 0.58 0.05 0.01 0.02 0.00 80.91 1.04 58 H E E 65.38 9.85 24.61 34.98 121.06 -152.19 -112.39 132.71 23.27 76.63 0.09 21.05 1.60 0.15 0.04 0.07 0.00 71.17 5.92 59 D C C 20.93 19.43 13.99 33.09 108.94 -162.00 -111.77 104.27 85.25 14.50 0.25 82.52 2.20 0.47 0.06 0.17 0.00 13.20 1.37 60 E C T 127.21 4.49 17.57 23.53 94.56 -163.15 -68.56 -23.55 96.13 1.75 2.12 19.11 21.44 55.18 0.17 2.42 0.00 1.22 0.45 61 N C T 111.80 2.18 18.11 20.00 96.09 44.21 -93.05 1.16 96.79 1.01 2.20 3.92 31.06 61.74 0.12 2.21 0.00 0.62 0.31 62 G C S 35.77 10.71 14.26 25.66 95.55 -114.55 76.83 11.61 96.05 2.71 1.24 24.29 63.40 8.22 0.10 1.37 0.00 1.79 0.83 63 E C C 104.43 5.80 22.58 28.94 111.46 118.31 -101.98 116.82 91.49 8.08 0.42 85.03 4.92 1.35 0.13 0.32 0.00 3.99 4.26 64 A C C 7.45 24.18 12.59 36.30 131.01 151.38 -125.32 149.30 88.16 11.61 0.23 85.13 2.88 0.54 0.08 0.16 0.00 6.59 4.62 65 G C C 26.29 6.49 25.79 32.62 137.17 -167.62 -132.54 174.22 91.19 8.67 0.14 87.92 3.14 0.60 0.05 0.09 0.00 4.26 3.94 66 I C T 87.83 11.86 17.97 29.97 109.90 -67.48 -60.69 134.19 99.40 0.47 0.12 0.18 2.04 97.42 0.00 0.07 0.00 0.20 0.09 67 G C T 35.61 6.61 21.56 29.21 96.34 24.94 88.93 -5.75 99.88 0.07 0.04 0.28 2.02 97.62 0.00 0.03 0.00 0.05 0.00 68 D C C 24.61 16.49 17.37 34.76 117.50 132.91 -70.51 144.69 96.76 3.24 0.00 95.50 1.52 0.02 0.00 0.00 0.00 2.89 0.07 69 R E E 93.82 9.99 25.27 35.68 117.10 -130.06 -93.89 132.20 0.71 99.29 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.19 0.09 70 V E E 2.89 26.33 17.12 44.30 131.70 -174.64 -129.86 152.00 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 71 S E E 24.48 10.61 26.96 38.92 120.05 -132.04 -104.65 135.66 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 72 L E E 8.50 24.71 17.66 42.55 121.35 -158.33 -111.70 132.63 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 M E E 55.57 10.10 24.24 34.76 132.41 -173.93 -131.50 150.14 0.65 99.35 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 74 E E E 86.60 12.08 18.82 30.85 114.66 -112.90 -78.99 136.26 3.23 96.76 0.01 2.87 0.20 0.02 0.00 0.00 0.00 96.83 0.08 75 T E E 32.73 14.40 13.28 28.25 129.99 -173.53 -124.08 156.52 38.85 61.08 0.07 35.52 2.13 0.15 0.01 0.04 0.00 61.57 0.57 76 R C C 163.16 2.15 17.41 19.78 114.63 -104.99 -87.87 137.07 69.64 30.09 0.28 52.21 15.38 1.15 0.05 0.25 0.00 30.19 0.77 77 P C C 67.96 10.92 9.36 20.83 112.25 -105.35 -67.82 140.25 79.99 18.69 1.32 61.90 13.62 4.05 0.29 1.06 0.00 17.39 1.69 78 L C S 122.63 2.19 12.18 15.56 98.75 -165.84 -86.58 -28.61 82.26 16.14 1.60 28.78 44.16 10.43 0.33 1.36 0.01 10.96 3.97 79 S C S 56.96 2.50 13.44 16.61 135.12 3.71 -146.56 165.70 85.37 13.04 1.59 26.21 48.07 11.67 0.29 1.39 0.00 8.17 4.19 80 A C S 92.56 2.13 11.14 14.71 92.18 -97.86 -66.40 -23.40 97.34 0.69 1.98 3.80 59.84 34.06 0.19 1.50 0.00 0.37 0.24 81 T C S 94.82 2.68 14.01 17.37 100.06 49.58 -93.33 -12.73 95.72 2.81 1.47 5.08 59.32 31.76 0.12 1.21 0.00 2.08 0.44 82 K C C 74.47 11.00 13.83 25.75 118.25 50.38 -112.58 128.01 58.10 41.05 0.85 43.70 10.68 3.37 0.17 0.77 0.00 38.99 2.32 83 R E E 68.01 12.26 18.38 31.46 128.53 105.79 -124.12 146.42 30.53 69.40 0.07 26.59 3.01 0.29 0.02 0.05 0.00 69.25 0.78 84 W E E 25.55 20.51 17.12 37.75 125.29 -151.82 -119.73 142.13 7.86 92.13 0.01 6.97 0.44 0.03 0.00 0.00 0.00 92.45 0.11 85 R E E 78.28 9.95 25.13 35.59 125.14 -158.56 -122.10 136.92 0.65 99.35 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.02 86 L E E 20.63 21.32 15.46 37.19 109.46 -117.91 -75.16 124.97 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.01 87 V E E 59.88 8.41 20.96 30.34 101.79 175.91 -98.29 -31.79 0.77 99.23 0.00 0.56 0.10 0.00 0.00 0.00 0.00 99.34 0.00 88 E E E 91.24 4.33 24.00 28.72 137.87 -2.46 -151.22 149.64 0.33 99.67 0.00 0.27 0.02 0.00 0.00 0.00 0.00 99.70 0.00 89 I E E 54.55 17.95 13.13 30.51 111.47 -130.93 -91.43 121.15 0.43 99.57 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 90 L E E 73.41 7.56 17.10 26.02 101.32 176.35 -91.85 -31.69 5.07 94.91 0.01 4.01 0.75 0.03 0.00 0.01 0.00 95.14 0.06 91 E E E 104.83 4.98 17.27 23.51 132.38 1.44 -144.29 146.32 10.39 89.56 0.06 8.29 1.71 0.17 0.01 0.04 0.00 89.52 0.25 92 K E E 123.67 8.14 11.62 21.38 118.18 -142.60 -106.35 134.71 49.03 50.88 0.09 47.24 0.76 0.20 0.02 0.06 0.00 51.01 0.72 93 A C C 63.41 6.74 13.70 21.54 110.69 -137.01 -83.50 140.06 99.76 0.23 0.01 99.68 0.10 0.04 0.00 0.00 0.00 0.17 0.01