# 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 F C C 71.67 14.43 15.11 29.43 122.94 -166.05 -111.88 137.00 99.16 0.84 0.00 99.24 0.05 0.01 0.00 0.00 0.00 0.68 0.01 1 T E E 76.45 6.30 19.27 26.61 119.58 -150.53 -108.37 130.77 43.83 56.08 0.09 43.82 0.38 0.10 0.03 0.03 0.00 54.82 0.82 2 I E E 23.70 21.58 11.75 32.65 121.68 -166.56 -114.03 132.77 20.49 79.35 0.16 18.81 1.00 0.17 0.06 0.07 0.00 79.42 0.47 3 N E E 88.01 4.40 24.35 28.81 117.44 -155.05 -103.23 130.62 13.72 86.10 0.19 11.84 1.03 0.23 0.06 0.08 0.00 86.56 0.19 4 A E E 18.79 23.05 11.53 33.44 132.41 -171.51 -134.20 150.87 11.74 87.92 0.34 10.71 0.63 0.11 0.19 0.09 0.00 88.09 0.18 5 E E E 96.27 5.47 24.33 30.34 126.20 -160.05 -123.88 140.54 5.20 94.60 0.20 4.86 0.25 0.05 0.13 0.04 0.00 94.46 0.21 6 V E E 61.43 14.94 16.93 31.47 115.39 -121.38 -81.72 134.95 10.61 89.10 0.30 10.35 0.35 0.08 0.20 0.08 0.00 88.33 0.61 7 R C C 40.39 18.29 11.31 29.36 112.78 -120.03 -77.47 136.24 64.35 33.91 1.74 61.97 1.61 0.51 0.73 0.67 0.00 33.34 1.17 8 K C C 160.66 1.59 18.45 19.71 96.91 -152.09 -79.56 -25.16 77.30 8.17 14.53 41.25 25.76 11.59 4.95 8.48 0.01 6.85 1.12 9 E C C 120.98 3.59 16.08 20.73 121.42 45.25 -111.74 141.41 74.37 6.10 19.52 30.77 25.91 19.24 6.33 11.98 0.04 4.11 1.62 10 Q C C 97.91 10.32 11.97 22.85 114.52 -130.03 -93.47 132.47 77.29 3.53 19.18 40.53 19.39 17.82 7.26 11.60 0.02 1.89 1.49 11 G C C 36.29 5.84 15.00 22.14 124.98 73.41 116.66 -174.36 83.97 1.38 14.66 35.58 32.89 16.03 9.17 4.86 0.01 0.52 0.95 12 K C H 152.36 2.70 15.26 19.02 99.55 -60.27 -73.96 -23.74 61.55 0.62 37.84 11.30 25.48 25.25 33.22 4.03 0.06 0.21 0.44 13 G H H 40.64 3.19 17.69 20.99 97.73 38.60 -52.10 -45.09 41.22 0.47 58.31 9.50 13.72 19.58 53.13 3.51 0.09 0.16 0.30 14 A H H 26.15 11.77 16.09 28.99 93.40 49.81 -65.65 -39.94 14.64 0.27 85.09 5.73 3.03 6.81 81.23 2.90 0.04 0.13 0.13 15 S H H 16.17 18.42 14.54 32.65 92.56 52.60 -64.23 -40.98 9.02 0.26 90.72 4.45 1.46 3.69 88.05 2.08 0.02 0.15 0.09 16 R H H 129.69 3.47 21.24 24.76 91.92 51.59 -64.53 -41.12 3.97 0.13 95.90 1.93 0.69 1.68 94.33 1.24 0.01 0.08 0.04 17 R H H 125.16 3.11 21.37 24.05 91.92 50.03 -64.78 -41.63 2.59 0.15 97.25 1.26 0.47 1.12 96.18 0.83 0.01 0.09 0.04 18 L H H 14.24 19.03 13.96 33.19 92.08 49.73 -64.72 -42.28 2.17 0.21 97.63 0.91 0.31 1.08 96.43 1.06 0.01 0.16 0.03 19 R H H 99.50 12.43 15.94 28.29 92.01 51.28 -63.47 -40.70 2.30 0.11 97.59 0.56 0.23 1.43 96.46 1.20 0.01 0.09 0.02 20 A H H 87.63 1.25 18.38 18.57 91.08 53.58 -66.49 -26.88 9.87 0.06 90.07 0.63 0.53 8.70 89.01 1.03 0.03 0.03 0.03 21 A C T 57.50 5.76 15.64 22.76 93.99 55.11 -86.77 -2.03 91.51 0.02 8.47 0.22 1.14 90.01 8.22 0.38 0.00 0.00 0.01 22 N C T 98.89 7.17 17.90 26.23 93.67 -114.86 65.09 31.87 99.91 0.01 0.08 0.37 1.35 98.24 0.02 0.02 0.00 0.00 0.00 23 K C E 64.38 13.05 19.31 32.49 132.27 118.83 -125.55 154.87 50.03 49.95 0.01 45.66 2.90 0.08 0.00 0.01 0.00 50.60 0.74 24 F E E 17.69 21.52 20.39 41.68 118.46 -134.67 -104.78 128.56 4.81 95.19 0.00 4.59 0.14 0.00 0.00 0.00 0.00 95.10 0.16 25 P E E 22.47 16.39 25.49 41.83 115.37 -121.36 -70.74 143.32 3.11 96.89 0.00 3.00 0.08 0.00 0.00 0.00 0.00 96.89 0.04 26 A E E 3.86 24.42 20.41 44.66 136.28 175.47 -140.46 156.56 0.54 99.46 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.49 0.01 27 I E E 34.46 14.12 25.81 40.31 118.23 -135.13 -108.63 128.34 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 28 I E E 13.13 21.46 19.28 40.85 118.35 -160.58 -108.36 127.11 0.70 99.30 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 29 Y E E 77.07 11.19 19.69 31.53 123.34 -169.29 -114.98 137.33 12.09 87.89 0.02 10.39 0.98 0.08 0.00 0.01 0.00 88.28 0.25 30 G C C 31.60 10.40 14.94 25.87 116.83 150.62 -152.56 128.76 77.43 22.40 0.18 57.83 16.63 1.80 0.02 0.21 0.00 22.64 0.87 31 G C S 48.41 3.56 14.11 18.85 114.89 -43.40 72.15 -141.48 96.51 1.69 1.80 9.63 58.16 28.74 0.10 1.87 0.00 1.14 0.37 32 K C S 179.45 0.68 13.31 12.94 98.08 -22.49 -87.79 -1.09 97.54 0.64 1.82 6.23 61.06 30.28 0.10 1.76 0.00 0.36 0.22 33 E C S 109.99 4.44 11.26 17.73 123.74 87.23 -100.19 152.50 92.66 5.75 1.60 14.58 70.76 7.69 0.17 1.38 0.00 3.90 1.53 34 A C C 76.36 2.64 16.88 19.97 115.55 -91.16 -69.50 147.88 89.32 10.44 0.24 68.03 20.21 1.06 0.05 0.21 0.00 9.50 0.94 35 P C C 57.36 15.18 12.31 27.16 115.31 -101.62 -65.67 145.55 81.59 18.33 0.09 77.93 2.72 0.30 0.02 0.07 0.00 18.49 0.48 36 L E E 44.62 13.24 19.09 33.10 123.09 -154.11 -116.18 135.53 7.78 92.20 0.02 6.67 1.09 0.06 0.00 0.01 0.00 91.67 0.50 37 A E E 38.94 13.50 21.70 35.07 118.61 -130.63 -88.35 138.70 1.34 98.66 0.00 1.18 0.06 0.00 0.00 0.00 0.00 98.73 0.02 38 I E E 8.89 22.75 19.05 41.96 125.78 -168.91 -122.43 137.53 0.53 99.47 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 39 E E E 61.92 13.09 25.28 38.26 122.60 -154.82 -112.84 132.39 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 40 L E E 7.63 23.46 17.43 41.00 129.22 -173.55 -127.68 145.07 2.95 97.05 0.00 2.87 0.08 0.00 0.00 0.00 0.00 96.93 0.12 41 D E E 56.48 7.11 24.82 32.51 110.02 -113.21 -74.19 129.42 48.56 51.42 0.01 48.61 0.40 0.01 0.00 0.01 0.00 50.64 0.32 42 H H H 46.53 19.24 14.65 33.53 92.35 -135.23 -60.54 -37.19 1.19 0.00 98.81 0.15 0.11 0.73 98.68 0.34 0.00 0.00 0.00 43 D H H 99.02 2.16 22.47 24.06 91.43 54.99 -63.96 -39.38 0.37 0.00 99.63 0.03 0.02 0.27 99.39 0.30 0.00 0.00 0.00 44 K H H 81.46 8.45 20.66 29.59 92.08 49.22 -66.36 -40.75 0.18 0.00 99.81 0.02 0.01 0.12 99.50 0.36 0.00 0.00 0.00 45 V H H 2.47 26.06 14.38 40.97 91.59 50.05 -64.18 -43.50 0.27 0.00 99.73 0.03 0.01 0.16 99.66 0.13 0.00 0.00 0.00 46 M H H 65.93 11.16 19.95 31.43 91.33 51.09 -62.96 -41.34 0.49 0.00 99.51 0.07 0.03 0.29 99.46 0.15 0.00 0.00 0.00 47 N H H 93.06 2.01 23.16 23.47 91.98 50.50 -64.99 -39.62 1.48 0.00 98.52 0.13 0.06 1.12 98.22 0.46 0.00 0.00 0.00 48 M H H 29.87 15.37 16.57 32.46 92.16 51.54 -66.35 -38.51 2.81 0.00 97.18 0.19 0.14 2.30 96.35 1.01 0.00 0.00 0.00 49 Q H H 44.60 18.27 14.43 32.00 91.87 56.29 -69.17 -24.38 11.27 0.02 88.71 0.61 0.55 9.69 88.05 1.07 0.01 0.01 0.01 50 A H H 78.09 3.22 18.17 21.78 93.08 58.08 -81.19 -11.15 47.00 0.10 52.90 2.73 3.54 39.08 53.02 1.52 0.02 0.03 0.07 51 K C S 96.45 6.41 12.79 21.11 113.35 92.21 -87.44 125.22 93.94 0.50 5.56 42.27 47.30 4.19 4.51 1.10 0.00 0.13 0.51 52 A H G 78.72 4.39 13.03 19.40 92.76 -143.39 -61.47 -31.06 46.54 0.31 53.15 5.71 6.20 33.23 4.63 49.91 0.00 0.16 0.15 53 E H G 126.81 3.20 16.42 20.56 90.91 63.25 -68.75 -18.15 46.45 0.38 53.18 5.00 5.06 34.76 4.64 50.17 0.00 0.22 0.15 54 F H G 31.42 17.77 12.10 29.80 96.66 55.06 -88.50 -11.36 39.38 3.16 57.46 18.00 7.35 14.65 4.93 52.19 0.00 2.30 0.58 55 Y C T 80.04 14.87 14.89 29.46 96.71 85.29 -70.19 -20.73 70.57 14.46 14.97 21.25 13.10 37.23 3.28 11.30 0.08 10.80 2.97 56 S C T 72.26 4.48 20.57 25.45 98.42 38.74 -95.12 3.90 69.73 20.65 9.62 17.80 13.50 39.15 1.12 8.31 0.01 19.06 1.04 57 E C C 63.63 12.21 16.88 29.76 121.25 112.16 -86.38 146.87 62.61 36.25 1.14 44.54 16.04 1.74 0.24 0.84 0.00 35.95 0.64 58 V E E 61.13 10.56 21.11 32.22 115.81 -123.96 -93.49 128.93 12.00 87.94 0.06 11.20 0.52 0.06 0.02 0.02 0.00 87.97 0.21 59 L E E 7.81 23.11 16.36 39.77 125.08 -169.51 -117.98 140.93 0.83 99.17 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.14 0.02 60 T E E 38.11 9.49 25.39 35.94 116.92 -145.36 -104.89 127.73 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 61 I E E 5.24 24.38 15.85 40.98 121.90 -167.62 -114.56 133.00 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 62 V E E 42.95 8.19 22.38 32.07 116.65 -154.22 -107.88 124.96 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 63 V E E 17.93 19.51 11.64 30.90 119.22 -175.34 -128.32 119.39 2.30 97.68 0.02 1.53 0.45 0.09 0.00 0.01 0.00 97.80 0.10 64 D C T 108.51 3.80 14.71 20.13 92.93 -15.59 53.07 44.05 99.59 0.28 0.13 0.23 2.70 96.75 0.00 0.11 0.00 0.19 0.02 65 G C T 64.75 0.92 13.83 14.28 94.38 -51.10 80.43 2.75 99.83 0.09 0.08 0.25 2.80 96.81 0.00 0.07 0.00 0.06 0.01 66 K E E 121.30 2.87 14.29 18.88 124.44 106.58 -112.44 143.48 4.08 95.91 0.01 2.67 1.02 0.08 0.00 0.01 0.00 96.11 0.12 67 E E E 118.51 7.01 13.48 22.45 115.18 -126.76 -90.76 130.30 1.57 98.43 0.00 1.31 0.05 0.00 0.00 0.00 0.00 98.63 0.01 68 I E E 41.25 13.71 14.81 29.67 127.36 -174.68 -127.51 142.14 0.73 99.27 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.00 69 K E E 114.93 6.23 22.66 29.64 114.70 -126.53 -86.26 130.84 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.45 0.00 70 V E E 5.75 23.84 15.35 39.57 133.94 174.82 -136.68 154.22 0.81 99.19 0.00 0.85 0.01 0.00 0.00 0.00 0.00 99.13 0.00 71 K E E 69.00 8.95 26.50 36.38 117.65 -128.18 -98.99 133.04 0.64 99.36 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 72 A E E 4.91 24.88 15.23 40.93 110.55 -119.49 -73.55 127.48 1.86 98.14 0.00 1.94 0.04 0.00 0.00 0.00 0.00 97.98 0.04 73 Q E E 77.53 7.52 23.23 31.43 100.78 176.56 -96.48 -32.29 5.37 94.62 0.01 3.80 1.35 0.08 0.00 0.01 0.00 94.72 0.04 74 D E E 53.41 6.99 25.09 32.98 142.43 -2.95 -157.86 156.32 1.71 98.29 0.00 1.42 0.16 0.01 0.00 0.00 0.00 98.39 0.02 75 V E E 26.41 22.13 14.70 36.14 125.65 -156.55 -128.39 133.20 0.99 99.01 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.00 0.02 76 Q E E 63.97 8.89 21.86 31.40 126.20 -171.61 -122.94 140.15 1.49 98.51 0.00 1.25 0.09 0.01 0.00 0.00 0.00 98.60 0.05 77 R E E 100.12 11.92 15.07 27.54 120.77 -151.80 -108.55 135.35 9.18 90.80 0.01 8.34 0.62 0.04 0.00 0.01 0.00 90.27 0.71 78 H C C 55.93 10.56 11.05 23.25 113.13 -119.41 -75.76 135.82 87.46 12.52 0.03 86.31 1.10 0.10 0.00 0.01 0.00 12.03 0.45 79 P C T 101.93 3.20 12.68 17.31 94.02 -128.01 -64.20 -26.02 99.42 0.37 0.21 1.49 35.22 62.70 0.00 0.25 0.00 0.29 0.05 80 Y C T 178.33 1.40 12.74 14.06 101.08 36.42 -93.33 -20.36 98.61 1.05 0.34 1.55 38.84 58.37 0.01 0.37 0.00 0.59 0.27 81 K C S 101.73 5.01 11.63 18.45 122.61 23.56 -135.00 122.42 95.70 3.85 0.45 13.92 65.16 16.75 0.03 0.59 0.00 2.79 0.77 82 P C S 83.04 6.78 12.87 21.29 99.07 -137.53 -70.89 6.95 97.82 1.97 0.21 28.41 49.70 19.59 0.01 0.29 0.00 1.79 0.20 83 K C C 96.42 6.44 19.50 26.80 126.52 104.63 -113.73 149.22 76.09 23.72 0.19 42.00 33.07 1.73 0.03 0.20 0.00 21.27 1.71 84 L E E 22.34 21.37 14.01 35.18 111.02 -110.62 -74.93 129.55 10.69 89.30 0.01 10.26 0.39 0.03 0.01 0.01 0.00 87.70 1.61 85 Q E E 69.94 8.74 22.18 31.59 101.27 177.03 -98.50 -29.35 6.01 93.98 0.01 3.49 2.13 0.09 0.00 0.01 0.00 94.24 0.04 86 H E E 53.68 10.42 24.11 35.31 139.90 2.58 -154.94 150.48 0.62 99.38 0.00 0.46 0.06 0.00 0.00 0.00 0.00 99.47 0.00 87 I E E 6.83 25.04 16.90 42.43 123.56 -162.43 -124.49 131.07 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 88 D E E 35.54 10.07 25.87 36.80 120.00 -165.39 -114.02 130.96 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 89 F E E 20.03 21.81 16.72 38.37 121.18 -161.61 -110.49 132.05 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 90 V E E 49.83 9.89 19.92 30.93 121.89 -165.60 -113.48 136.34 4.91 95.09 0.00 4.87 0.08 0.01 0.00 0.00 0.00 94.80 0.25 91 R C C 118.68 10.39 17.44 27.98 111.48 -121.79 -76.22 128.54 98.61 1.39 0.00 98.68 0.07 0.01 0.00 0.00 0.00 1.24 0.01