# 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 104.54 7.25 11.94 20.31 114.91 -157.99 -93.48 129.36 99.90 0.08 0.02 99.82 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 A C C 72.61 4.74 9.79 16.20 110.39 -139.28 -83.41 137.49 87.57 2.98 9.45 78.92 1.66 8.17 2.61 5.58 0.00 1.91 1.15 2 D C C 112.17 2.39 9.99 13.90 108.27 -134.25 -87.54 93.76 82.78 5.73 11.49 50.35 15.48 17.01 2.27 9.33 0.00 3.65 1.91 3 Q C C 121.59 4.33 9.01 15.06 108.40 -145.93 -87.10 96.57 81.90 7.13 10.97 54.26 15.13 12.23 2.34 8.88 0.00 4.66 2.49 4 K C C 142.47 3.23 10.82 15.71 111.08 117.93 -95.21 108.19 85.02 8.80 6.18 57.03 18.89 8.79 2.16 4.01 0.01 4.68 4.42 5 G C C 36.57 7.02 11.00 19.36 127.67 -136.73 -144.30 173.96 95.07 4.12 0.80 65.10 27.80 2.42 0.26 0.55 0.00 2.36 1.51 6 P C C 83.46 6.37 11.69 19.51 110.99 -69.61 -71.18 144.91 92.02 3.84 4.14 71.10 10.45 10.27 0.98 3.28 0.00 2.61 1.31 7 K C C 145.11 3.40 13.13 18.05 105.93 -144.36 -87.88 49.81 87.36 8.06 4.59 49.17 23.99 14.51 1.16 3.50 0.01 4.42 3.23 8 Y C C 126.29 7.49 11.38 20.14 119.37 104.91 -105.95 130.70 86.71 9.31 3.98 47.57 31.18 7.95 1.51 2.50 0.01 4.71 4.58 9 T C C 65.11 6.89 11.81 20.45 119.06 -158.83 -107.52 134.70 95.10 3.02 1.88 71.92 21.65 1.69 1.14 0.73 0.00 1.54 1.33 10 P C C 81.45 5.33 12.28 19.17 104.62 -113.20 -64.76 144.91 65.73 2.41 31.87 38.46 9.75 18.02 11.77 19.58 0.00 1.42 0.99 11 A C C 72.48 4.84 11.88 18.17 100.25 35.64 -72.64 -13.74 59.50 3.51 36.99 28.97 12.04 19.80 12.18 23.58 0.04 1.95 1.44 12 A C C 65.39 5.94 11.24 18.56 101.44 62.02 -83.58 -3.42 58.64 5.27 36.09 33.57 13.46 12.73 11.56 23.66 0.04 3.10 1.89 13 E C C 117.18 5.34 11.82 18.69 107.29 95.67 -86.56 70.29 71.28 4.87 23.85 42.66 18.42 10.55 10.33 13.22 0.03 2.63 2.18 14 K C C 123.69 4.53 12.59 18.88 116.13 110.06 -93.75 131.71 93.94 3.40 2.66 52.94 39.12 2.25 1.56 0.98 0.00 1.50 1.63 15 P C C 81.04 7.10 11.11 19.77 112.33 -111.31 -67.30 144.09 91.39 3.20 5.41 77.11 7.39 6.95 1.95 3.28 0.00 2.02 1.32 16 R C C 149.64 5.05 11.24 18.15 113.08 -139.94 -92.43 130.74 86.03 5.19 8.77 49.09 15.02 22.03 2.16 6.55 0.00 2.78 2.36 17 G C C 47.08 4.65 13.33 19.32 113.94 13.56 100.91 -165.99 87.11 4.33 8.56 32.36 25.74 29.50 1.33 7.21 0.01 2.47 1.37 18 R C C 140.39 6.02 12.97 20.46 112.90 -74.26 -91.69 127.03 83.62 6.73 9.65 46.47 21.47 15.65 1.69 8.46 0.01 4.40 1.86 19 R C C 126.23 8.59 13.48 23.09 114.09 -150.24 -93.37 127.84 81.13 13.25 5.62 52.63 19.37 9.22 1.08 4.86 0.00 10.97 1.87 20 K C C 96.11 9.58 16.81 26.92 116.99 -141.54 -98.51 135.53 67.34 29.82 2.84 47.95 14.15 5.09 0.54 2.38 0.00 28.50 1.39 21 T E E 58.69 12.05 18.23 30.50 121.53 -155.66 -109.16 136.39 45.28 54.01 0.71 36.95 6.78 1.26 0.17 0.52 0.00 53.26 1.06 22 A E E 16.21 18.12 17.97 36.11 126.65 -166.35 -120.08 142.09 19.33 80.48 0.20 17.05 1.71 0.31 0.05 0.12 0.00 80.12 0.64 23 I E E 59.91 11.09 24.63 35.93 120.23 -148.20 -108.31 132.85 9.24 90.69 0.07 8.19 0.63 0.10 0.02 0.03 0.00 90.78 0.25 24 G E E 4.02 22.27 18.28 40.22 139.74 161.60 -146.66 169.24 3.92 96.05 0.03 3.07 0.50 0.07 0.01 0.01 0.00 96.29 0.05 25 Y E E 81.08 9.14 25.96 36.04 125.35 -107.14 -120.13 139.79 1.21 98.78 0.01 1.02 0.08 0.01 0.00 0.00 0.00 98.84 0.05 26 V E E 18.03 21.83 15.44 37.58 109.80 -119.04 -78.18 124.52 1.48 98.51 0.01 1.33 0.06 0.00 0.00 0.00 0.00 98.54 0.06 27 V E E 63.48 7.63 21.42 29.95 102.21 175.73 -100.53 -25.77 5.98 93.95 0.07 4.60 1.07 0.12 0.01 0.03 0.00 94.00 0.15 28 S E E 47.31 7.38 20.21 28.49 135.96 3.12 -148.71 150.91 23.46 76.27 0.27 16.29 6.34 0.89 0.05 0.18 0.00 75.92 0.33 29 D C C 65.41 13.57 12.59 26.03 114.78 -168.03 -124.07 110.08 59.95 39.11 0.94 45.03 10.75 2.80 0.17 0.77 0.00 39.85 0.64 30 K C S 140.59 3.15 16.15 20.19 99.56 141.13 -91.50 -3.32 72.91 25.11 1.98 24.82 32.86 16.41 0.27 1.80 0.01 22.45 1.39 31 M C C 86.29 7.58 11.40 20.47 114.48 89.42 -95.67 141.25 73.10 24.09 2.81 32.75 25.89 15.92 0.53 2.48 0.02 17.48 4.92 32 Q C T 139.51 2.37 15.88 18.77 98.30 -114.32 -65.58 -22.18 97.64 1.07 1.29 7.51 40.12 50.15 0.13 1.13 0.00 0.69 0.27 33 K C T 111.10 8.42 15.69 24.55 99.67 6.52 -98.17 4.20 97.90 1.34 0.76 4.14 42.38 51.56 0.04 0.70 0.00 1.02 0.16 34 T E E 30.47 12.02 17.64 31.08 133.17 60.99 -133.14 149.21 24.21 75.63 0.16 17.38 6.18 0.92 0.03 0.13 0.00 74.64 0.73 35 I E E 10.25 20.25 17.81 38.89 121.85 -153.21 -114.24 134.56 3.98 96.02 0.00 3.56 0.14 0.00 0.00 0.00 0.00 96.24 0.06 36 V E E 25.43 11.39 24.74 37.64 118.33 -155.89 -109.31 128.49 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 37 V E E 4.96 23.60 18.16 42.41 121.07 -166.46 -114.12 131.11 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 38 E E E 48.87 10.03 24.90 35.80 118.16 -157.00 -105.20 129.44 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 39 L E E 12.58 20.48 16.46 37.24 124.20 -171.04 -119.58 137.29 0.61 99.39 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 40 E E E 76.51 8.87 20.92 30.43 119.72 -151.46 -105.62 133.21 4.49 95.49 0.01 3.81 0.37 0.03 0.00 0.00 0.00 95.75 0.03 41 D E E 38.79 12.69 15.98 29.62 130.85 168.63 -133.45 151.51 7.03 92.94 0.03 6.00 0.58 0.07 0.01 0.02 0.00 93.26 0.07 42 R E E 116.05 8.55 16.16 25.83 119.01 -137.28 -105.69 133.04 4.71 95.24 0.05 4.18 0.32 0.06 0.01 0.03 0.00 95.30 0.11 43 K E E 79.33 8.75 15.25 25.46 127.96 -173.05 -127.21 147.06 3.09 96.85 0.06 2.53 0.32 0.07 0.02 0.03 0.00 96.92 0.11 44 S E E 65.31 5.02 13.84 20.48 115.80 -121.97 -88.80 133.89 4.12 95.84 0.05 3.63 0.36 0.04 0.02 0.02 0.00 95.19 0.73 45 H C C 49.61 10.85 8.22 20.57 110.12 -141.76 -94.22 117.48 60.99 38.91 0.10 59.37 0.94 0.18 0.02 0.05 0.00 38.56 0.87 46 P C T 112.21 1.31 11.69 13.53 92.99 -148.96 -63.70 -28.28 97.28 0.26 2.46 0.45 2.79 94.11 0.09 2.31 0.00 0.17 0.07 47 L C T 132.03 1.15 11.07 12.54 97.18 48.07 -75.26 -38.16 97.69 0.15 2.16 0.23 2.25 95.38 0.06 1.95 0.00 0.08 0.05 48 Y C T 133.21 3.22 10.38 15.01 101.37 23.45 -105.45 -10.62 98.18 0.23 1.59 0.46 2.60 95.24 0.06 1.45 0.00 0.13 0.06 49 G C C 51.92 2.70 11.47 15.72 95.98 -125.27 73.08 11.05 98.61 1.02 0.37 50.82 5.91 41.84 0.08 0.24 0.00 0.97 0.13 50 K C C 105.47 3.75 12.24 17.85 124.50 124.08 -107.62 151.75 63.06 36.90 0.04 58.96 2.43 0.19 0.00 0.03 0.00 37.82 0.57 51 I E E 91.06 7.91 12.27 21.76 116.55 -124.84 -94.69 131.74 1.42 98.58 0.00 1.33 0.04 0.00 0.00 0.00 0.00 98.47 0.16 52 I E E 56.64 9.50 13.72 25.18 123.21 -169.07 -117.64 137.69 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.46 0.00 53 R E E 127.31 8.18 14.56 24.30 120.59 -148.91 -107.61 133.22 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 54 T E E 46.98 9.77 15.19 26.60 128.16 -175.14 -127.26 145.45 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 55 T E E 69.11 10.15 15.37 26.55 123.75 -155.21 -118.35 139.75 0.76 99.24 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.28 0.00 56 K E E 76.52 10.67 16.77 28.36 128.81 -175.22 -129.56 143.40 1.11 98.89 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.87 0.02 57 K E E 108.05 8.50 19.44 28.90 118.04 -136.83 -101.08 131.63 3.85 96.14 0.00 3.78 0.13 0.00 0.00 0.00 0.00 96.02 0.06 58 V E E 13.66 20.58 16.19 37.02 126.25 -170.81 -121.80 139.18 8.01 91.99 0.00 7.96 0.18 0.00 0.00 0.00 0.00 91.72 0.13 59 K E E 83.11 9.62 25.20 35.22 119.45 -142.57 -94.88 136.85 7.79 92.21 0.00 7.75 0.20 0.01 0.00 0.00 0.00 91.70 0.33 60 A E E 4.12 24.74 17.32 42.35 131.44 -174.36 -132.73 148.18 13.00 86.98 0.02 12.61 0.42 0.03 0.01 0.01 0.00 86.04 0.88 61 H E E 63.60 10.03 24.81 35.39 121.55 -151.22 -113.55 133.57 18.17 81.77 0.06 16.57 1.25 0.11 0.03 0.04 0.00 77.57 4.44 62 D C C 19.79 19.68 14.13 33.50 110.02 -158.89 -112.93 106.70 84.51 15.28 0.21 81.97 1.99 0.40 0.05 0.14 0.00 14.29 1.16 63 E C T 126.57 4.53 17.84 23.79 94.30 -163.08 -69.18 -24.57 96.17 1.87 1.96 19.42 22.16 54.21 0.15 2.28 0.00 1.33 0.46 64 N C T 110.87 2.29 18.42 20.43 96.22 42.02 -94.06 1.12 96.93 1.04 2.02 3.82 31.91 61.12 0.11 2.08 0.00 0.65 0.31 65 G C S 35.23 10.70 14.58 25.93 95.84 -114.32 77.48 10.42 96.04 2.83 1.14 23.04 64.98 7.88 0.10 1.25 0.00 1.95 0.81 66 E C C 103.66 6.03 22.78 29.34 110.81 115.11 -103.15 98.65 91.58 8.04 0.39 85.37 4.81 1.29 0.12 0.29 0.00 4.03 4.07 67 A C C 7.01 24.35 12.76 36.72 131.03 153.99 -126.12 149.18 87.58 12.22 0.20 84.89 2.72 0.46 0.07 0.14 0.00 6.87 4.85 68 G C C 25.55 6.73 25.87 32.99 137.17 -165.70 -131.23 175.82 91.07 8.80 0.13 87.70 3.32 0.53 0.04 0.08 0.00 4.29 4.03 69 I C T 86.84 12.00 18.16 30.26 109.99 -66.40 -60.63 134.34 99.42 0.46 0.13 0.17 2.00 97.49 0.00 0.07 0.00 0.20 0.08 70 G C T 35.05 6.73 21.68 29.49 96.44 24.89 89.14 -5.79 99.88 0.07 0.04 0.27 1.99 97.65 0.00 0.03 0.00 0.05 0.00 71 D C C 23.55 16.78 17.47 35.12 117.30 133.21 -70.07 144.21 96.89 3.11 0.00 95.68 1.47 0.02 0.00 0.00 0.00 2.76 0.07 72 R E E 92.50 10.06 25.43 35.95 116.66 -129.67 -92.87 132.41 0.72 99.28 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.18 0.10 73 V E E 2.66 26.50 17.15 44.57 131.36 -174.51 -130.45 151.94 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 74 S E E 24.67 10.66 27.07 39.04 120.13 -132.38 -105.52 136.72 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 75 L E E 8.74 24.64 17.58 42.39 121.46 -157.27 -112.04 132.13 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 76 M E E 56.27 10.18 24.01 34.57 132.14 -176.64 -130.96 150.00 1.22 98.78 0.00 1.03 0.06 0.01 0.00 0.00 0.00 98.89 0.01 77 E E E 88.52 11.54 18.99 30.55 114.59 -112.96 -78.46 136.61 4.49 95.49 0.02 3.81 0.42 0.04 0.00 0.01 0.00 95.62 0.10 78 T E E 32.54 14.78 13.30 28.56 130.60 -174.83 -125.77 154.59 34.64 65.30 0.06 31.27 2.35 0.15 0.01 0.04 0.00 65.54 0.63 79 R C C 161.29 2.24 17.53 20.09 115.06 -109.37 -94.08 134.38 59.01 40.86 0.13 46.30 11.59 0.62 0.02 0.12 0.00 40.56 0.78 80 P C C 64.27 11.65 8.91 20.89 112.66 -110.23 -68.42 140.08 70.62 28.73 0.64 60.23 7.98 1.91 0.15 0.54 0.00 27.13 2.06 81 L C S 125.08 1.95 12.39 15.30 98.70 -162.35 -85.45 -28.06 85.13 13.98 0.89 25.86 50.07 9.81 0.15 0.83 0.00 10.75 2.53 82 S C S 58.54 2.27 13.48 16.23 135.88 3.39 -149.09 168.11 85.52 13.36 1.11 18.02 55.97 12.11 0.17 1.02 0.00 9.02 3.68 83 A C S 94.56 1.81 11.23 14.28 92.00 -96.24 -65.63 -23.82 98.07 0.67 1.26 3.18 60.70 34.43 0.09 1.02 0.00 0.37 0.21 84 T C S 93.76 2.81 13.79 17.31 99.37 49.62 -95.60 -8.02 96.17 2.97 0.86 4.98 59.46 32.07 0.06 0.78 0.00 2.27 0.38 85 K C C 71.97 11.08 13.70 25.78 119.60 62.29 -111.53 130.90 59.75 39.90 0.35 49.56 7.86 1.41 0.07 0.34 0.00 38.53 2.22 86 R E E 68.25 12.08 18.60 31.55 130.00 -173.88 -128.25 147.71 26.78 73.17 0.04 24.05 1.89 0.17 0.01 0.03 0.00 73.08 0.77 87 W E E 23.38 20.76 17.40 38.31 125.42 -150.73 -117.70 141.05 7.15 92.84 0.01 6.39 0.35 0.02 0.00 0.00 0.00 93.15 0.09 88 R E E 76.02 10.26 25.33 36.05 124.88 -159.88 -121.01 136.09 0.65 99.34 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 89 L E E 17.12 21.96 15.64 38.06 109.64 -117.63 -75.35 125.28 0.34 99.66 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 90 V E E 58.26 8.60 21.45 30.97 101.43 176.08 -97.61 -31.55 0.87 99.12 0.00 0.62 0.11 0.00 0.00 0.00 0.00 99.25 0.00 91 E E E 90.10 4.42 24.18 28.96 137.02 -2.54 -150.62 147.92 0.42 99.58 0.00 0.33 0.03 0.00 0.00 0.00 0.00 99.62 0.00 92 I E E 54.13 18.13 13.32 30.88 110.51 -129.72 -88.48 120.06 0.43 99.57 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.01 93 L E E 74.05 7.20 17.82 26.35 101.17 177.07 -92.62 -34.24 3.13 96.85 0.02 2.34 0.46 0.04 0.00 0.01 0.00 97.12 0.04 94 E E E 96.63 4.81 19.63 25.41 135.16 -1.02 -148.97 149.24 6.44 93.49 0.08 5.04 1.03 0.18 0.01 0.05 0.00 93.51 0.18 95 K E E 106.26 11.93 12.38 24.71 119.93 -146.96 -110.32 134.78 31.36 68.19 0.45 27.07 3.10 0.99 0.10 0.35 0.00 67.47 0.91 96 A C C 45.23 10.19 10.48 21.77 115.29 -123.34 -76.62 148.86 86.79 12.75 0.46 82.72 1.95 1.74 0.07 0.37 0.00 12.50 0.66 97 K C C 161.02 1.75 15.65 17.80 108.16 -116.56 -79.51 128.48 99.81 0.19 0.01 99.65 0.16 0.05 0.00 0.00 0.00 0.13 0.01