# 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 74.89 13.02 17.37 30.16 119.98 -158.21 -103.54 130.82 99.92 0.08 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 H C C 105.71 8.05 20.89 29.03 109.36 -133.40 -89.07 114.47 92.39 7.38 0.23 90.12 1.82 1.02 0.08 0.10 0.00 4.28 2.57 2 V C C 11.80 23.94 10.78 34.01 119.99 -148.84 -102.86 135.90 84.17 15.68 0.15 80.33 3.27 0.17 0.08 0.05 0.00 4.10 12.00 3 K C C 105.77 3.93 23.51 27.61 130.53 -164.74 -118.38 157.40 98.59 1.38 0.04 98.41 0.48 0.04 0.01 0.01 0.00 0.45 0.60 4 K C T 123.28 8.60 15.04 24.93 109.93 -84.39 -59.86 134.99 99.59 0.31 0.11 0.13 0.97 98.65 0.00 0.06 0.00 0.15 0.04 5 G C T 44.42 3.89 19.37 24.08 96.14 25.72 89.60 -6.48 99.91 0.06 0.03 0.13 0.98 98.82 0.00 0.02 0.00 0.04 0.00 6 D C C 34.75 13.98 15.18 30.31 117.97 133.47 -71.10 146.04 97.70 2.29 0.00 96.92 0.89 0.02 0.00 0.00 0.00 2.10 0.07 7 K E E 99.21 7.70 24.27 32.41 115.18 -123.96 -87.10 132.41 2.42 97.57 0.01 2.52 0.07 0.00 0.01 0.00 0.00 96.54 0.86 8 V E E 3.36 25.56 16.62 42.84 133.56 -173.97 -134.29 153.00 1.15 98.85 0.01 1.05 0.04 0.01 0.00 0.00 0.00 98.85 0.04 9 M E E 51.65 10.47 26.65 38.09 121.07 -137.36 -110.03 133.94 1.88 98.06 0.06 1.72 0.13 0.05 0.02 0.03 0.00 97.96 0.09 10 V E E 9.17 22.53 16.75 40.00 109.19 -121.24 -77.52 123.06 16.25 83.67 0.08 16.15 0.41 0.05 0.02 0.04 0.00 82.52 0.81 11 I C C 54.30 10.90 21.79 33.49 99.77 176.56 -99.19 -26.03 91.19 8.50 0.31 62.35 25.28 3.31 0.04 0.35 0.00 8.09 0.58 12 S C S 47.70 5.29 22.90 28.80 141.58 8.55 -154.53 160.39 96.53 2.97 0.50 8.59 81.75 6.61 0.06 0.39 0.00 1.75 0.85 13 G C S 35.52 4.99 18.83 25.07 128.03 34.53 95.61 -163.96 95.22 1.32 3.46 5.84 81.07 8.76 0.35 2.52 0.00 0.49 0.97 14 K C T 152.92 2.59 18.82 21.93 93.76 -46.98 -69.67 -22.05 90.71 0.95 8.34 1.51 20.76 68.49 0.32 7.89 0.00 0.48 0.55 15 D C T 33.75 16.10 12.78 29.22 96.30 51.71 -99.83 9.25 92.91 0.83 6.26 4.32 11.09 76.37 0.34 7.00 0.00 0.51 0.37 16 K C T 101.80 10.83 13.93 25.93 110.85 135.61 -61.59 132.15 97.85 0.69 1.46 1.32 2.23 94.55 0.15 1.09 0.00 0.33 0.34 17 G C T 50.91 3.48 19.74 23.72 94.21 21.28 85.78 -2.33 98.94 0.46 0.61 1.12 2.82 95.03 0.04 0.58 0.00 0.36 0.06 18 K C C 79.28 10.67 17.60 29.18 121.10 125.90 -79.01 147.30 97.12 2.79 0.09 93.23 3.45 0.43 0.01 0.09 0.00 2.59 0.20 19 Q E E 96.48 9.41 20.70 31.18 126.56 -151.72 -116.52 144.29 7.89 92.08 0.03 7.59 0.43 0.03 0.02 0.01 0.00 90.04 1.87 20 G E E 9.06 14.22 21.29 36.35 144.70 136.16 -172.81 -176.25 1.71 98.28 0.00 1.38 0.16 0.01 0.00 0.00 0.00 98.42 0.03 21 T E E 49.88 8.72 25.99 35.76 120.30 -74.64 -102.34 138.78 0.61 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 22 I E E 6.04 24.92 15.23 41.28 108.98 -115.90 -75.06 124.08 0.55 99.45 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 23 L E E 62.80 8.81 23.76 33.34 100.67 175.41 -97.10 -31.78 1.43 98.56 0.00 0.91 0.32 0.01 0.00 0.00 0.00 98.75 0.01 24 A E E 38.87 7.44 26.05 34.75 141.58 0.22 -156.70 152.82 0.30 99.69 0.00 0.20 0.03 0.00 0.00 0.00 0.00 99.76 0.00 25 A E E 18.32 22.43 14.76 36.52 125.44 -163.09 -131.21 132.52 0.62 99.37 0.00 0.52 0.03 0.00 0.00 0.00 0.00 99.43 0.01 26 F E E 55.34 8.21 19.54 29.69 110.41 -163.22 -114.18 104.61 6.02 93.97 0.02 5.43 0.37 0.03 0.01 0.01 0.00 93.84 0.32 27 P C G 66.08 11.31 13.60 26.03 93.76 -175.86 -64.79 -31.28 54.30 1.13 44.56 1.85 2.96 46.08 0.45 47.65 0.00 0.89 0.11 28 K C T 165.98 0.76 16.41 15.66 93.08 53.51 -68.19 -34.78 56.74 0.31 42.95 0.80 2.27 50.72 0.46 45.50 0.00 0.19 0.07 29 K C T 117.42 3.65 16.26 20.42 97.42 32.79 -97.74 -4.86 57.70 0.12 42.18 0.78 2.32 50.65 0.37 45.77 0.00 0.07 0.04 30 D C T 61.62 12.54 15.40 28.72 94.82 -126.59 56.52 42.70 99.64 0.10 0.26 2.97 2.48 94.26 0.03 0.17 0.00 0.07 0.01 31 R E E 59.30 11.90 22.03 34.67 135.22 126.44 -132.19 155.69 4.22 95.78 0.00 3.38 0.40 0.04 0.00 0.00 0.00 96.06 0.12 32 V E E 3.71 24.88 18.45 44.27 121.81 -145.52 -116.05 134.08 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 33 L E E 35.83 11.56 26.78 39.43 116.79 -151.63 -104.40 126.95 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 V E E 4.94 24.89 17.04 42.55 118.33 -168.32 -114.28 124.95 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 35 E E E 91.87 7.41 23.66 31.34 119.37 -148.74 -87.96 143.31 12.13 87.80 0.07 5.19 2.85 3.46 0.00 0.08 0.00 88.30 0.12 36 G C E 36.41 6.22 22.58 29.48 96.47 17.87 76.09 14.20 63.73 36.13 0.15 13.82 31.42 15.73 0.01 0.18 0.00 38.60 0.24 37 V C C 20.71 22.38 12.85 34.27 114.21 147.75 -89.16 127.36 56.23 43.49 0.28 48.46 5.15 1.09 0.04 0.26 0.00 44.34 0.66 38 N E E 76.52 7.96 22.10 30.20 111.83 -150.12 -103.33 100.26 43.19 56.55 0.26 31.99 8.67 1.98 0.04 0.26 0.00 56.30 0.74 39 M E E 66.09 14.92 15.66 30.39 120.59 -160.11 -104.56 133.53 18.08 81.79 0.13 15.19 2.61 0.33 0.03 0.10 0.00 80.72 1.03 40 V E E 58.48 10.84 16.37 28.20 122.70 -166.57 -117.07 136.53 8.61 91.29 0.10 7.66 0.79 0.14 0.03 0.06 0.00 90.84 0.49 41 K E E 108.11 8.80 14.89 24.84 117.16 -140.48 -97.65 131.56 9.65 90.14 0.21 8.38 0.98 0.25 0.07 0.13 0.00 89.74 0.46 42 K E E 108.34 7.35 14.05 22.88 119.77 -165.17 -109.05 135.36 20.19 78.64 1.17 16.35 3.06 0.88 0.29 0.83 0.00 77.94 0.64 43 H E E 111.32 6.93 12.22 20.64 116.95 -135.25 -95.99 134.07 33.15 66.00 0.85 26.04 6.54 1.43 0.16 0.73 0.00 63.76 1.35 44 S C C 56.32 7.39 11.39 20.37 120.94 -160.48 -104.80 146.47 56.88 42.41 0.71 45.73 9.92 1.16 0.15 0.67 0.00 38.70 3.66 45 K C C 140.18 2.90 13.20 17.52 115.39 -111.87 -84.46 137.50 88.28 11.51 0.20 77.90 9.51 0.60 0.05 0.17 0.00 10.66 1.11 46 P C C 73.73 7.66 9.10 18.32 113.43 -105.92 -66.30 147.34 90.34 7.73 1.93 78.03 8.27 3.69 0.45 1.65 0.00 5.71 2.21 47 T C C 78.06 3.81 10.05 15.60 120.18 -147.43 -102.82 159.39 85.12 12.51 2.38 64.63 13.64 5.30 0.78 1.68 0.00 4.85 9.11 48 Q C T 153.37 1.07 9.54 11.23 94.78 -104.70 -66.63 -29.57 95.68 1.36 2.96 6.88 42.07 47.09 0.42 2.23 0.00 0.75 0.57 49 A C T 94.39 0.83 10.64 11.19 97.52 46.01 -81.54 -22.89 96.78 0.84 2.38 6.39 40.82 49.77 0.30 1.89 0.00 0.46 0.36 50 N C S 78.08 5.29 8.52 15.77 112.26 29.40 -127.42 90.09 85.20 13.61 1.18 36.12 45.98 3.39 0.34 0.86 0.00 5.71 7.59 51 P C T 96.81 3.68 9.99 15.73 95.96 -172.24 -66.46 -20.96 86.72 5.92 7.36 26.40 16.40 43.79 0.71 7.25 0.00 4.24 1.21 52 Q C T 133.99 1.96 13.06 15.66 100.11 61.29 -87.57 3.14 81.21 10.43 8.37 22.78 17.39 41.56 0.88 7.74 0.02 7.10 2.53 53 G C C 29.88 9.19 11.69 21.97 119.56 -119.15 82.59 173.27 85.62 10.41 3.97 50.24 19.33 15.89 0.42 4.19 0.00 8.12 1.81 54 G C C 32.18 6.87 15.42 23.41 123.06 -154.80 113.92 -174.24 66.16 33.02 0.81 42.03 19.87 4.84 0.13 0.80 0.00 30.83 1.49 55 I E E 84.97 11.13 13.40 25.10 120.95 -73.47 -106.83 135.12 15.42 84.51 0.06 13.40 1.84 0.19 0.02 0.05 0.00 82.05 2.45 56 S E E 46.09 8.24 15.66 25.39 125.03 -168.99 -118.84 145.14 6.91 93.06 0.02 6.43 0.39 0.04 0.01 0.01 0.00 92.64 0.48 57 N E E 95.32 9.58 14.40 25.10 117.84 -151.72 -108.19 128.46 9.06 90.92 0.02 7.38 1.47 0.08 0.00 0.01 0.00 90.86 0.18 58 Q E E 84.06 6.83 17.91 25.95 129.75 170.58 -131.77 147.57 7.81 92.15 0.03 6.66 1.01 0.09 0.01 0.02 0.00 91.89 0.32 59 E E E 103.11 10.20 16.72 27.60 116.29 -118.55 -82.19 137.13 12.86 87.11 0.03 12.00 0.77 0.07 0.01 0.02 0.00 86.33 0.80 60 A E E 20.36 14.98 17.31 33.06 134.87 169.77 -140.48 153.47 33.07 66.92 0.01 31.38 0.82 0.03 0.00 0.01 0.00 67.47 0.29 61 P E E 62.77 9.81 22.95 32.79 113.94 -103.62 -69.03 142.46 26.73 73.25 0.01 23.34 2.77 0.13 0.00 0.01 0.00 73.04 0.71 62 I E E 11.26 23.75 15.94 39.76 127.93 -169.85 -125.05 141.09 17.44 82.55 0.02 16.30 1.06 0.05 0.00 0.01 0.00 77.58 5.00 63 H E E 62.51 9.18 25.10 34.89 112.60 -121.02 -80.34 134.64 30.95 69.03 0.02 32.30 0.38 0.02 0.01 0.01 0.00 61.85 5.43 64 V H G 21.65 22.47 16.37 38.60 91.61 -129.61 -60.49 -30.80 7.68 0.26 92.06 1.16 0.87 4.54 1.08 92.11 0.00 0.24 0.01 65 S H G 61.27 8.59 22.78 32.20 90.38 66.36 -71.11 -14.69 6.56 0.14 93.31 0.34 0.52 4.80 0.83 93.40 0.00 0.11 0.00 66 N H G 52.89 13.08 21.99 35.65 96.43 53.40 -100.15 2.77 7.70 0.18 92.13 0.76 0.88 4.78 0.69 92.74 0.00 0.14 0.01 67 V C C 6.17 25.55 16.83 42.91 119.14 96.37 -96.18 134.27 56.58 40.11 3.31 41.42 12.97 1.65 1.57 1.63 0.02 28.32 12.40 68 M C C 49.25 13.94 25.92 39.55 122.36 -167.79 -118.09 133.72 61.06 38.89 0.05 58.44 2.50 0.12 0.01 0.03 0.00 37.21 1.67 69 P C E 23.22 18.69 21.54 39.68 114.86 -118.16 -72.27 143.94 54.61 45.35 0.04 44.93 8.71 0.29 0.01 0.05 0.00 45.08 0.93 70 L E B 42.16 14.43 18.49 33.46 120.10 -141.86 -106.79 133.89 7.33 92.64 0.03 6.66 0.28 0.01 0.04 0.00 0.00 36.58 56.44 71 D C C 32.93 11.30 14.78 28.22 107.74 -124.85 -82.50 117.74 90.54 9.43 0.02 91.32 0.47 0.05 0.00 0.01 0.00 7.11 1.03 72 P C T 78.08 8.00 13.76 23.42 92.69 -155.67 -65.75 -25.30 99.82 0.04 0.14 0.26 2.72 96.86 0.00 0.12 0.00 0.02 0.01 73 K C T 157.15 1.20 14.55 15.42 97.74 46.94 -76.48 -38.89 99.77 0.06 0.18 0.10 2.06 97.66 0.00 0.14 0.00 0.03 0.02 74 T C T 80.50 2.91 13.17 16.91 101.61 21.29 -103.54 -17.92 99.78 0.06 0.17 0.38 3.19 96.24 0.00 0.15 0.00 0.03 0.01 75 G C C 43.36 6.34 11.83 20.04 95.72 -124.90 76.78 6.59 99.31 0.51 0.18 73.00 10.05 16.24 0.04 0.16 0.00 0.33 0.19 76 E C C 102.58 3.53 17.02 21.73 118.55 137.92 -81.40 144.51 88.23 11.72 0.05 73.52 14.85 0.28 0.01 0.04 0.00 10.22 1.08 77 V E B 77.18 9.58 16.75 27.05 114.00 -104.87 -69.66 141.18 4.92 95.04 0.04 4.53 0.24 0.01 0.05 0.01 0.00 43.57 51.58 78 T C C 21.70 18.06 14.69 32.77 130.23 -167.37 -125.95 154.12 64.94 35.03 0.03 63.07 1.49 0.08 0.01 0.02 0.00 34.89 0.44 79 R E E 99.59 9.15 23.15 32.65 118.28 -119.74 -97.41 135.66 28.06 71.91 0.02 25.50 1.93 0.08 0.00 0.02 0.00 71.49 0.97 80 V E E 26.63 20.21 16.17 35.85 118.51 -142.45 -97.98 133.38 9.48 90.51 0.01 8.92 0.36 0.02 0.00 0.00 0.00 90.50 0.19 81 G E E 13.22 10.67 21.61 33.34 139.81 159.32 -146.05 174.64 2.00 98.00 0.00 1.71 0.12 0.01 0.00 0.00 0.00 98.11 0.05 82 Y E E 97.92 13.44 16.12 29.70 128.55 -116.96 -129.22 144.69 1.28 98.72 0.00 1.12 0.05 0.00 0.00 0.00 0.00 98.81 0.02 83 K E E 84.07 7.54 16.53 25.47 133.08 174.37 -137.89 154.93 1.05 98.94 0.00 0.89 0.05 0.00 0.00 0.00 0.00 99.04 0.01 84 V E E 86.65 6.57 12.42 20.83 116.50 -127.68 -101.45 127.68 3.70 96.30 0.01 3.09 0.26 0.02 0.00 0.00 0.00 96.58 0.04 85 E E E 86.80 6.97 9.06 17.96 121.24 175.09 -132.76 125.67 8.38 91.54 0.08 5.37 1.92 0.68 0.01 0.07 0.00 91.59 0.36 86 D C T 137.65 0.40 11.54 10.54 93.12 -14.67 51.94 42.19 99.68 0.20 0.12 0.39 4.39 94.94 0.00 0.13 0.00 0.14 0.02 87 G C T 65.23 0.78 10.66 11.40 94.37 -50.81 78.90 2.97 99.83 0.08 0.09 0.42 4.82 94.61 0.00 0.09 0.00 0.05 0.01 88 K E E 119.91 2.74 12.13 16.69 125.90 103.99 -117.15 146.03 5.64 94.36 0.01 3.80 1.43 0.07 0.00 0.00 0.00 94.50 0.19 89 K E E 109.67 7.39 12.88 21.97 114.16 -118.81 -82.26 130.68 1.45 98.55 0.00 1.25 0.04 0.00 0.00 0.00 0.00 98.69 0.02 90 V E E 28.84 12.42 15.16 29.45 128.89 -175.56 -127.21 147.39 0.85 99.15 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.22 0.01 91 R E E 72.61 11.99 19.32 32.15 115.88 -128.35 -94.65 130.33 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 92 V E E 21.02 14.06 18.72 34.21 129.31 -173.21 -127.43 145.83 0.49 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.39 0.16 93 A E E 10.93 15.64 14.63 32.22 110.88 -112.79 -71.20 129.33 8.06 91.93 0.01 7.81 0.18 0.02 0.00 0.01 0.00 91.22 0.76 94 K C T 104.58 8.76 16.56 26.43 93.78 -144.12 -66.11 -31.30 98.95 0.73 0.32 0.76 3.50 94.87 0.01 0.26 0.00 0.51 0.07 95 K C T 139.46 2.97 16.63 20.26 97.27 45.75 -76.66 -38.35 99.36 0.29 0.35 0.14 1.96 97.44 0.01 0.24 0.00 0.13 0.08 96 S C T 60.32 4.22 14.77 20.08 101.56 22.01 -104.19 -14.00 99.63 0.11 0.27 0.44 2.83 96.41 0.01 0.22 0.00 0.06 0.03 97 G C C 40.28 7.51 12.92 21.99 95.01 -121.48 80.60 7.95 99.38 0.44 0.18 81.10 7.31 10.97 0.04 0.14 0.00 0.30 0.15 98 Q C C 90.24 4.47 15.38 21.61 117.78 144.70 -75.57 144.39 92.11 7.85 0.04 87.50 4.85 0.20 0.01 0.03 0.00 6.52 0.89 99 V E B 88.12 7.24 16.23 24.73 113.67 -111.46 -77.19 134.93 4.29 95.68 0.03 4.07 0.19 0.01 0.06 0.00 0.00 47.08 48.60 100 L C C 36.98 18.85 13.44 31.33 109.22 -149.23 -90.71 126.56 94.13 5.87 0.00 94.05 0.07 0.01 0.00 0.00 0.00 5.84 0.03