# 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 103.07 8.57 14.74 24.17 112.77 -160.48 -89.23 125.83 99.90 0.10 0.00 99.89 0.05 0.00 0.00 0.00 0.00 0.05 0.00 1 R C C 108.86 9.07 15.44 25.48 119.98 -158.25 -104.26 135.36 77.84 22.13 0.03 78.05 0.50 0.10 0.01 0.01 0.00 20.14 1.19 2 P C C 59.55 10.09 18.09 28.84 117.55 -124.26 -79.21 141.90 59.52 40.43 0.05 52.92 4.51 0.25 0.00 0.05 0.00 41.72 0.54 3 Y E E 24.14 19.98 16.26 36.22 130.56 -168.84 -128.33 148.69 9.64 90.34 0.02 8.90 0.53 0.03 0.00 0.01 0.00 90.13 0.40 4 E E E 50.29 12.87 24.53 37.61 121.54 -145.33 -110.52 134.39 3.39 96.60 0.01 3.15 0.15 0.01 0.00 0.00 0.00 96.64 0.05 5 I E E 6.66 23.99 20.44 44.50 124.78 -167.53 -119.47 135.45 1.80 98.20 0.00 1.73 0.05 0.00 0.00 0.00 0.00 98.20 0.02 6 M E E 23.27 17.42 26.43 43.49 121.48 -162.54 -114.18 130.68 0.75 99.25 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.00 7 V E E 3.18 25.24 24.38 49.43 122.18 -165.53 -117.24 130.00 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 8 I E E 13.22 19.83 27.79 47.08 116.49 -159.57 -107.13 124.00 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 9 L E E 5.28 24.32 20.76 45.00 129.09 -175.81 -123.24 148.78 2.36 97.64 0.00 2.28 0.05 0.00 0.00 0.00 0.00 97.48 0.19 10 D C C 32.83 12.77 22.34 35.79 110.27 -107.82 -72.31 130.39 89.59 10.40 0.01 89.73 0.51 0.02 0.00 0.01 0.00 9.54 0.20 11 P C T 51.04 14.46 15.97 31.08 91.51 -133.81 -64.58 -19.68 97.79 0.50 1.71 1.51 6.32 90.02 0.06 1.62 0.00 0.38 0.09 12 T C T 104.30 1.75 20.96 22.09 92.73 62.40 -86.41 -2.28 98.39 0.23 1.38 1.80 5.80 90.82 0.07 1.32 0.00 0.15 0.05 13 L C S 27.63 19.20 8.37 26.59 117.42 111.33 -74.56 143.20 97.92 0.93 1.16 45.46 51.41 1.07 0.44 0.55 0.00 0.27 0.81 14 D C C 91.79 2.04 20.23 20.89 116.99 -112.68 -76.83 156.14 99.17 0.21 0.62 98.39 0.67 0.23 0.46 0.05 0.00 0.05 0.15 15 E H H 120.07 8.57 11.99 21.92 91.70 -109.31 -59.16 -36.54 12.62 0.03 87.35 0.83 1.24 10.43 79.11 8.32 0.03 0.01 0.02 16 R H H 177.28 1.01 17.42 17.21 92.13 54.70 -66.57 -34.86 11.51 0.02 88.47 0.47 0.74 10.43 79.59 8.71 0.04 0.01 0.01 17 T H H 59.83 7.35 16.71 25.11 95.50 43.42 -77.62 -32.71 12.56 0.04 87.39 0.74 0.99 10.71 77.31 10.13 0.07 0.02 0.03 18 V H H 9.51 22.13 12.70 34.48 93.57 49.76 -70.10 -38.57 8.97 0.04 90.99 1.10 1.42 6.42 89.39 1.60 0.03 0.01 0.03 19 A H H 45.64 8.32 19.43 28.64 91.76 58.87 -61.16 -43.47 3.53 0.01 96.47 0.82 0.32 2.13 94.60 2.11 0.00 0.01 0.00 20 P H H 72.54 2.33 23.67 24.42 91.54 49.50 -63.87 -40.54 2.36 0.01 97.63 0.41 0.15 1.60 95.52 2.31 0.00 0.00 0.00 21 S H H 17.04 16.17 19.89 36.06 92.27 49.92 -65.17 -41.52 1.10 0.01 98.89 0.24 0.09 0.66 97.07 1.94 0.00 0.00 0.00 22 L H H 11.93 22.89 18.56 40.97 91.41 51.34 -63.43 -42.38 0.19 0.00 99.81 0.04 0.01 0.09 99.74 0.12 0.00 0.00 0.00 23 E H H 106.83 4.75 24.07 29.28 91.38 51.76 -63.25 -40.91 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 24 T H H 62.74 5.87 24.20 30.22 91.68 49.65 -64.51 -42.27 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 25 F H H 6.79 24.23 19.95 43.83 91.66 49.20 -64.29 -43.29 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 26 L H H 24.00 18.55 20.48 38.57 90.99 51.26 -62.74 -41.69 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 27 N H H 84.31 2.58 25.42 26.72 91.56 51.76 -64.04 -40.76 0.51 0.00 99.49 0.03 0.01 0.39 99.54 0.03 0.00 0.00 0.00 28 V H H 22.18 12.58 20.61 34.35 91.61 50.23 -64.17 -43.27 0.51 0.00 99.49 0.03 0.02 0.38 99.50 0.06 0.00 0.00 0.00 29 V H H 2.60 25.88 14.30 40.77 91.26 49.35 -63.72 -43.14 0.78 0.02 99.20 0.09 0.06 0.56 99.04 0.23 0.00 0.01 0.00 30 R H H 127.87 7.96 18.53 27.48 91.56 50.88 -62.99 -40.54 1.59 0.01 98.40 0.18 0.08 1.21 97.83 0.69 0.00 0.00 0.00 31 K H H 154.60 1.40 20.02 20.61 90.85 54.15 -65.78 -27.04 9.86 0.02 90.13 0.19 0.26 9.95 88.90 0.68 0.01 0.00 0.01 32 D C T 54.56 12.24 14.48 27.53 94.37 50.91 -92.73 3.53 83.41 0.03 16.56 0.22 0.94 82.15 16.08 0.57 0.00 0.01 0.02 33 G C T 46.48 3.09 22.00 24.99 99.89 -96.18 93.91 7.67 99.79 0.02 0.19 0.76 1.28 97.85 0.07 0.03 0.00 0.01 0.00 34 G C C 8.43 21.90 9.95 30.78 125.09 130.66 -85.95 165.45 92.35 7.62 0.03 88.82 3.17 0.15 0.00 0.02 0.00 7.66 0.18 35 K E E 113.25 3.38 25.09 28.73 125.46 -141.83 -123.93 143.84 24.89 75.07 0.04 23.50 0.85 0.05 0.01 0.02 0.00 75.11 0.45 36 V E E 42.73 20.90 12.05 31.89 111.12 -123.90 -84.16 122.98 2.38 97.61 0.01 2.41 0.05 0.00 0.00 0.01 0.00 97.45 0.07 37 E E E 104.59 4.37 19.27 24.58 100.31 177.05 -92.55 -35.16 3.50 96.48 0.02 2.36 0.73 0.06 0.00 0.01 0.00 96.82 0.01 38 K E E 101.93 3.93 22.25 26.90 138.77 -2.31 -154.25 150.96 1.44 98.55 0.02 1.04 0.16 0.02 0.00 0.01 0.00 98.76 0.01 39 V E E 47.30 20.58 11.48 30.69 124.12 -161.81 -129.70 128.34 1.05 98.94 0.01 0.90 0.04 0.00 0.00 0.00 0.00 99.04 0.01 40 D E E 71.04 5.28 21.58 27.38 121.10 -172.85 -120.97 129.12 2.44 97.55 0.01 2.01 0.15 0.01 0.00 0.00 0.00 97.80 0.02 41 I E E 75.16 12.89 14.06 27.42 115.40 -146.99 -102.45 122.51 5.59 94.39 0.02 4.99 0.23 0.02 0.00 0.01 0.00 94.69 0.05 42 W E E 118.24 8.51 14.62 24.36 107.46 -172.74 -105.86 26.44 12.44 87.28 0.28 10.58 1.04 0.28 0.11 0.12 0.00 87.66 0.20 43 G E E 32.44 3.95 18.45 23.17 132.60 -100.78 120.64 -168.85 10.42 89.30 0.28 6.31 3.67 0.74 0.08 0.16 0.00 88.83 0.21 44 K E E 129.97 6.24 14.35 22.40 118.44 -45.32 -93.98 134.22 6.62 92.98 0.40 5.41 0.85 0.23 0.18 0.14 0.00 93.04 0.15 45 R E E 100.75 9.04 13.64 24.28 129.31 -176.74 -133.51 147.65 4.40 95.11 0.50 3.77 0.41 0.17 0.27 0.14 0.00 95.05 0.19 46 R E E 159.82 2.99 16.30 20.67 114.24 -119.14 -83.73 132.29 6.85 92.68 0.47 6.22 0.45 0.16 0.31 0.13 0.00 92.34 0.39 47 L E E 48.32 15.58 8.10 23.04 113.65 -127.95 -80.93 136.00 47.80 50.69 1.51 44.42 1.82 0.54 0.69 0.53 0.00 51.30 0.70 48 A C S 81.14 2.45 14.52 17.76 97.24 -150.32 -75.67 -24.49 67.64 30.55 1.81 28.98 33.46 5.66 0.34 1.20 0.00 29.61 0.75 49 Y C S 137.50 3.30 13.47 17.93 125.06 38.12 -123.08 146.71 61.76 36.54 1.70 14.54 42.71 5.60 0.31 1.12 0.01 34.64 1.09 50 E C C 125.45 4.66 11.82 18.20 111.83 -106.63 -80.17 126.20 59.58 38.17 2.25 52.25 4.89 1.61 0.99 1.27 0.00 35.98 3.01 51 I C C 80.95 8.62 9.04 18.79 109.70 -172.55 -103.87 60.27 69.71 25.96 4.33 55.43 8.81 4.25 2.10 2.41 0.01 20.19 6.79 52 A C S 80.78 2.63 12.64 16.13 102.45 -9.70 -66.83 5.07 86.83 5.29 7.88 28.07 32.29 27.16 1.44 5.99 0.01 4.12 0.92 53 K C S 153.99 1.98 13.62 16.15 102.39 -6.69 -83.76 11.78 88.13 4.91 6.96 22.24 37.07 29.41 0.92 5.74 0.01 3.83 0.79 54 H C C 110.52 6.80 13.43 21.45 110.41 21.32 -98.37 105.61 60.89 34.87 4.24 40.92 10.43 10.16 0.63 3.48 0.00 32.86 1.51 55 A E E 28.77 13.06 13.38 27.57 121.58 -171.42 -108.49 141.63 42.02 57.64 0.34 35.63 4.25 0.91 0.07 0.25 0.00 58.08 0.83 56 E E E 82.55 9.34 21.15 30.84 126.92 -161.42 -121.49 143.15 18.12 81.73 0.15 14.34 3.35 0.55 0.03 0.11 0.00 81.13 0.48 57 G E E 7.21 17.22 18.69 36.02 142.85 155.50 -163.04 172.36 8.28 91.69 0.03 6.55 1.30 0.12 0.01 0.02 0.00 91.90 0.11 58 I E E 23.40 16.05 21.61 38.50 124.85 -102.60 -119.97 139.57 1.49 98.51 0.00 1.37 0.06 0.00 0.00 0.00 0.00 98.53 0.03 59 Y E E 38.71 16.15 22.18 38.46 119.88 -153.98 -108.33 131.63 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 60 V E E 10.74 19.94 20.56 40.93 124.15 -168.08 -120.93 135.60 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 61 V E E 28.42 13.29 24.28 38.38 117.88 -159.35 -110.30 125.55 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 62 I E E 11.70 21.53 19.59 41.31 121.41 -168.50 -116.07 130.64 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 63 D E E 48.34 10.09 25.55 36.19 115.90 -159.36 -106.58 123.40 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 64 V E E 9.78 23.17 16.31 39.54 126.42 -174.20 -122.93 139.99 0.62 99.38 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.38 0.02 65 K E E 100.39 6.75 25.38 32.69 117.21 -157.76 -109.55 124.57 4.15 95.82 0.03 3.32 0.61 0.06 0.01 0.01 0.00 95.83 0.15 66 A E E 13.34 19.28 14.38 33.81 139.12 146.52 -147.77 164.71 33.95 65.97 0.08 27.77 5.97 0.24 0.03 0.05 0.00 65.02 0.91 67 A C C 49.19 5.28 20.67 26.41 114.83 -90.66 -67.89 145.97 98.50 1.40 0.10 97.31 1.23 0.09 0.04 0.02 0.00 1.23 0.07 68 P H H 76.95 9.05 14.32 24.56 92.23 -110.62 -57.59 -36.50 21.48 0.17 78.35 2.77 2.37 15.05 64.28 15.30 0.05 0.11 0.07 69 A H H 76.07 1.83 19.83 20.66 91.23 57.43 -65.56 -28.38 18.01 0.15 81.84 2.21 1.78 12.59 66.86 16.35 0.06 0.09 0.06 70 T H H 33.16 12.99 16.08 29.71 94.97 49.39 -78.99 -30.38 12.07 0.30 87.63 3.80 1.69 6.08 71.01 17.12 0.03 0.20 0.08 71 V H H 18.92 20.64 14.01 34.12 91.99 62.30 -61.93 -43.63 2.80 0.05 97.16 1.34 0.39 1.10 95.46 1.66 0.00 0.03 0.01 72 S H H 62.78 2.99 22.09 24.53 91.75 51.80 -63.80 -40.89 1.87 0.04 98.10 0.69 0.21 0.94 97.04 1.09 0.00 0.02 0.00 73 E H H 90.76 4.24 21.21 25.57 91.92 49.89 -64.92 -41.15 1.57 0.02 98.41 0.45 0.17 0.88 97.52 0.96 0.00 0.01 0.00 74 L H H 9.12 22.27 14.63 37.06 92.19 50.94 -64.54 -42.33 1.51 0.02 98.47 0.41 0.16 0.85 97.66 0.90 0.00 0.01 0.00 75 D H H 58.66 12.84 17.85 30.55 91.65 52.74 -62.71 -40.68 3.41 0.03 96.56 0.72 0.29 2.17 95.60 1.18 0.01 0.02 0.01 76 R H H 161.04 1.39 20.37 20.34 92.41 50.19 -66.11 -38.21 7.88 0.03 92.08 0.79 0.55 6.18 90.77 1.67 0.02 0.02 0.01 77 Q H H 80.59 8.89 17.30 26.87 92.73 49.28 -69.74 -35.34 12.58 0.06 87.36 1.25 1.01 9.83 86.41 1.42 0.02 0.03 0.03 78 L H H 25.88 19.98 12.07 31.16 96.55 52.47 -79.66 -17.95 43.53 1.67 54.80 10.70 7.48 25.94 51.88 2.36 0.12 0.73 0.79 79 S C T 67.93 5.56 17.81 24.12 100.53 80.11 -64.13 14.50 77.25 1.86 20.89 29.52 4.95 40.79 20.64 2.37 0.00 0.99 0.73 80 L C C 88.35 9.27 12.77 22.82 102.17 88.62 -82.55 12.80 81.31 4.06 14.62 53.51 14.91 12.03 12.72 2.91 0.01 1.96 1.95 81 N C C 87.22 5.61 14.77 21.66 109.92 107.97 -91.24 109.70 84.69 3.46 11.86 63.35 12.69 8.08 8.73 3.69 0.00 1.78 1.69 82 E C T 123.39 6.61 13.42 21.29 95.62 -131.27 -69.87 -16.05 58.62 1.83 39.55 10.78 11.24 36.66 16.99 22.26 0.11 1.09 0.87 83 S C T 67.90 5.38 15.46 21.84 95.48 68.53 -77.64 -13.11 58.77 3.49 37.73 11.81 9.32 37.52 15.97 21.69 0.13 2.52 1.06 84 V C T 48.69 13.77 13.34 27.22 105.76 58.77 -93.54 3.89 43.70 21.81 34.49 17.12 10.56 18.53 16.36 16.54 0.71 16.87 3.31 85 L E E 62.18 13.71 13.58 27.49 116.49 88.74 -100.61 128.12 37.60 47.41 14.99 24.89 7.92 5.33 12.03 4.36 0.26 40.65 4.56 86 R E E 128.84 6.88 16.98 25.08 117.06 -160.88 -106.74 128.10 39.18 52.59 8.23 31.80 3.90 2.42 6.17 2.27 0.01 51.60 1.84 87 T E E 58.64 13.68 12.80 26.55 123.25 -168.50 -114.11 138.38 42.89 50.57 6.54 35.18 4.17 2.01 4.32 1.82 0.01 51.48 1.01 88 K E E 115.15 6.07 17.06 24.52 120.44 -157.49 -109.16 134.20 38.99 55.39 5.62 31.35 4.48 2.18 3.34 1.69 0.00 56.14 0.83 89 V E E 67.50 12.58 12.77 25.92 119.62 -156.22 -109.02 130.37 29.21 67.67 3.12 25.90 1.97 0.88 2.29 0.87 0.00 66.76 1.33 90 M E E 94.81 6.72 14.72 23.04 121.66 -169.21 -114.81 137.29 28.43 69.76 1.81 25.43 2.14 0.72 1.67 0.61 0.00 65.96 3.48 91 R C C 137.30 6.15 12.22 20.20 114.73 -137.40 -92.90 128.94 52.32 45.83 1.85 46.52 3.51 1.08 1.17 0.74 0.00 45.10 1.89 92 T C C 78.01 6.98 10.08 18.52 107.36 -153.69 -84.65 94.43 80.32 13.15 6.52 47.78 18.74 13.86 1.99 4.21 0.01 12.36 1.05 93 D C C 108.31 2.81 10.27 14.55 108.34 62.62 -88.91 98.71 89.45 4.83 5.72 49.98 21.72 17.97 1.42 4.26 0.00 3.82 0.83 94 K C C 141.75 3.29 8.75 13.95 108.58 99.58 -89.98 97.95 93.17 2.89 3.94 84.02 3.45 6.26 1.22 2.21 0.00 2.06 0.78 95 H C C 137.00 3.72 10.29 15.76 109.08 -140.03 -87.88 109.17 99.92 0.06 0.02 99.81 0.08 0.07 0.01 0.00 0.00 0.03 0.01