# 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 S C C 74.11 4.47 13.39 19.11 115.24 -140.90 -95.71 157.49 99.95 0.05 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.00 1 N C C 110.75 4.35 11.60 17.69 108.71 -134.66 -90.46 91.66 95.45 3.43 1.12 88.88 1.54 5.29 0.24 0.69 0.00 2.68 0.67 2 A C C 64.83 5.97 12.58 20.02 116.16 -158.79 -96.81 137.80 86.61 11.90 1.49 56.70 21.60 8.01 0.21 1.55 0.00 10.79 1.13 3 M C C 77.82 11.29 13.81 25.84 120.31 -144.13 -101.93 137.40 66.66 32.59 0.75 55.14 7.70 1.83 0.10 0.70 0.00 33.80 0.73 4 K E E 58.59 13.32 18.05 31.91 123.13 -158.44 -113.97 137.81 23.54 76.34 0.12 20.68 2.13 0.21 0.02 0.10 0.00 76.35 0.51 5 H E E 44.16 15.02 20.57 35.88 119.97 -150.07 -109.18 131.58 4.47 95.52 0.01 4.04 0.24 0.01 0.00 0.00 0.00 95.64 0.06 6 Y E E 16.88 20.47 21.32 41.68 124.59 -168.84 -120.44 136.20 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.00 7 L E E 13.89 19.61 25.90 45.07 116.51 -155.21 -106.45 124.40 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 8 I E E 4.51 24.24 25.46 49.22 117.99 -164.06 -110.42 125.24 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 9 C E E 9.94 21.11 26.30 46.26 125.69 -171.10 -120.65 136.96 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 10 F E E 9.92 23.22 22.96 45.51 130.73 -172.01 -128.94 146.46 7.67 92.32 0.01 6.88 0.44 0.03 0.00 0.00 0.00 92.52 0.13 11 D E E 44.04 12.12 26.26 38.81 109.00 -135.16 -94.36 114.28 42.63 57.34 0.03 37.28 3.55 0.20 0.00 0.03 0.00 58.61 0.33 12 V C C 10.40 22.62 13.70 36.35 121.25 164.65 -109.69 136.29 81.26 18.46 0.29 78.71 2.18 0.60 0.07 0.18 0.00 16.69 1.56 13 Q C S 120.23 4.07 20.17 25.26 95.60 -158.46 -79.81 -22.81 99.18 0.52 0.30 48.05 48.55 2.70 0.08 0.18 0.00 0.28 0.16 14 H C S 95.24 5.85 16.40 23.57 115.77 62.52 -108.69 120.12 98.52 0.33 1.15 47.09 47.90 3.60 0.62 0.39 0.00 0.09 0.30 15 D H H 90.08 7.57 13.72 22.95 93.67 -153.03 -64.93 -33.87 31.47 0.14 68.38 11.74 12.91 7.31 66.15 1.74 0.01 0.03 0.11 16 K H H 139.67 1.52 19.61 20.07 92.05 54.97 -64.10 -41.01 10.70 0.05 89.25 2.25 2.36 6.12 87.70 1.48 0.02 0.01 0.04 17 T H H 27.03 13.90 16.78 31.40 92.27 48.42 -66.22 -41.63 5.22 0.03 94.75 1.86 0.81 2.58 93.57 1.14 0.00 0.01 0.02 18 R H H 31.01 20.40 15.81 35.58 91.60 52.07 -62.23 -42.70 0.88 0.00 99.12 0.28 0.12 0.40 98.92 0.28 0.00 0.00 0.00 19 A H H 52.16 4.88 23.31 28.27 91.45 50.90 -63.68 -41.84 0.30 0.00 99.70 0.07 0.03 0.15 99.67 0.09 0.00 0.00 0.00 20 K H H 90.24 5.54 24.24 29.90 91.62 49.81 -64.10 -41.88 0.28 0.00 99.72 0.04 0.02 0.17 99.71 0.07 0.00 0.00 0.00 21 L H H 2.80 25.47 18.95 44.66 91.50 49.13 -64.01 -43.57 0.25 0.00 99.75 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 22 S H H 17.34 18.28 20.59 38.30 91.27 52.10 -61.86 -42.63 0.13 0.00 99.87 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 23 R H H 140.25 1.96 25.94 26.42 91.54 50.26 -63.70 -41.53 0.24 0.00 99.76 0.01 0.01 0.17 99.66 0.14 0.00 0.00 0.00 24 L H H 27.80 12.61 20.93 34.47 91.67 49.20 -64.04 -43.14 0.52 0.00 99.48 0.02 0.02 0.43 99.24 0.29 0.00 0.00 0.00 25 L H H 1.65 27.46 14.32 42.65 91.12 49.02 -64.90 -40.10 1.54 0.00 98.46 0.08 0.08 1.31 97.40 1.12 0.00 0.00 0.00 26 E H H 95.24 11.53 18.29 29.79 90.82 57.49 -65.44 -29.11 14.36 0.04 85.60 0.54 0.48 13.25 74.03 11.63 0.03 0.02 0.02 27 K H H 153.38 1.41 22.15 22.21 92.35 55.27 -74.01 -21.38 38.05 0.03 61.91 0.53 0.86 38.22 52.36 7.97 0.01 0.02 0.03 28 Y H T 71.56 14.10 16.09 30.23 102.99 33.57 -107.12 -14.83 49.43 0.26 50.31 1.76 5.17 42.07 41.87 8.74 0.09 0.12 0.19 29 G C S 13.64 14.69 17.10 32.15 145.85 -14.65 166.51 174.53 79.65 20.24 0.11 24.49 51.70 3.38 0.02 0.09 0.00 19.66 0.66 30 P E E 76.24 5.77 22.03 28.10 119.07 -71.31 -91.18 140.86 19.02 80.96 0.02 17.77 0.69 0.05 0.00 0.01 0.00 81.15 0.33 31 R E E 95.71 15.45 13.81 28.88 111.20 -122.77 -80.52 124.87 3.67 96.32 0.01 3.63 0.11 0.01 0.00 0.00 0.00 95.41 0.82 32 V E E 69.88 8.41 17.19 26.80 101.32 176.10 -94.81 -34.92 13.58 86.40 0.03 11.14 1.79 0.14 0.01 0.02 0.00 86.67 0.24 33 Q E E 81.74 6.35 19.30 26.33 136.53 -1.02 -150.61 152.95 20.55 79.25 0.20 5.43 11.66 4.61 0.02 0.21 0.00 76.24 1.83 34 G C T 44.07 6.65 20.17 27.53 98.12 -68.36 -2.53 -57.33 99.51 0.27 0.22 0.68 12.99 85.87 0.00 0.25 0.00 0.17 0.05 35 S C T 27.24 17.75 16.58 33.98 99.56 12.77 -107.74 6.08 99.57 0.30 0.13 0.76 12.31 86.51 0.00 0.16 0.00 0.22 0.02 36 V E E 22.29 16.82 20.66 38.15 122.29 88.75 -112.38 132.00 2.64 97.36 0.00 2.24 0.27 0.01 0.00 0.00 0.00 97.23 0.25 37 F E E 10.13 21.66 21.02 42.58 132.77 -174.01 -130.74 149.48 0.28 99.72 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 38 E E E 30.58 16.29 25.60 41.70 121.79 -152.80 -113.98 134.54 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 39 V E E 6.67 22.86 20.36 43.13 131.17 -175.09 -133.85 142.96 0.45 99.55 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 40 S E E 35.84 10.29 25.36 36.34 113.48 -129.14 -85.06 128.33 2.89 97.11 0.00 2.74 0.09 0.00 0.00 0.00 0.00 97.04 0.12 41 F E E 14.33 22.72 13.64 36.40 116.34 -163.22 -110.88 123.80 46.70 53.27 0.04 45.62 0.77 0.06 0.01 0.02 0.00 52.65 0.86 42 K C S 124.56 4.81 20.30 25.86 99.65 174.30 -95.78 -15.91 98.26 1.68 0.06 47.64 50.29 0.54 0.01 0.04 0.00 1.36 0.12 43 T C S 60.40 4.76 17.66 23.46 120.47 62.74 -110.35 136.15 99.15 0.49 0.36 36.08 62.60 0.54 0.27 0.07 0.00 0.15 0.29 44 P H H 78.25 7.86 12.94 22.39 92.25 -129.47 -59.99 -36.03 7.63 0.02 92.35 1.16 1.19 4.98 90.80 1.83 0.01 0.01 0.01 45 D H H 104.00 1.26 18.44 18.24 91.85 54.62 -64.19 -39.50 4.77 0.01 95.22 0.62 0.47 3.39 93.45 2.05 0.01 0.00 0.00 46 R H H 80.15 9.87 16.39 27.22 92.27 49.23 -66.24 -40.13 1.14 0.00 98.86 0.28 0.11 0.65 97.53 1.43 0.00 0.00 0.00 47 K H H 31.78 19.36 13.77 32.62 91.66 52.71 -62.33 -42.50 0.32 0.00 99.68 0.08 0.02 0.15 99.52 0.22 0.00 0.00 0.00 48 R H H 127.50 3.38 22.11 25.42 91.37 50.77 -63.72 -41.04 0.15 0.00 99.85 0.02 0.01 0.08 99.84 0.06 0.00 0.00 0.00 49 Q H H 86.75 3.59 22.77 25.88 91.53 50.17 -64.15 -41.88 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 50 L H H 5.40 22.46 16.87 39.76 91.22 49.67 -63.47 -43.41 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 51 E H H 52.24 16.30 20.08 35.54 91.47 51.30 -61.91 -42.68 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 52 Y H H 134.13 1.97 24.44 24.53 91.67 49.81 -64.24 -41.71 0.24 0.00 99.76 0.01 0.01 0.18 99.75 0.05 0.00 0.00 0.00 53 K H H 72.95 9.28 21.62 31.28 91.83 49.44 -65.12 -41.38 0.85 0.00 99.15 0.04 0.02 0.70 99.11 0.12 0.00 0.00 0.00 54 I H H 2.91 25.79 15.57 41.86 91.59 49.30 -64.56 -42.23 1.08 0.00 98.92 0.10 0.07 0.75 98.81 0.28 0.00 0.00 0.00 55 H H H 83.40 11.24 20.11 31.30 91.41 53.27 -61.92 -41.33 0.98 0.00 99.02 0.16 0.06 0.59 98.49 0.70 0.00 0.00 0.00 56 Q H H 100.62 2.14 23.19 23.64 91.75 50.63 -64.56 -40.88 2.22 0.00 97.77 0.24 0.12 1.64 96.87 1.12 0.00 0.00 0.00 57 I H H 27.10 13.95 18.06 32.89 92.34 48.57 -65.72 -41.79 3.11 0.01 96.88 0.45 0.26 2.15 96.16 0.96 0.00 0.00 0.00 58 I H H 14.46 20.74 13.43 33.90 92.94 49.63 -68.40 -37.80 9.52 0.09 90.40 3.19 1.43 4.90 88.84 1.55 0.01 0.03 0.05 59 K H H 131.31 3.76 17.59 22.40 93.26 56.56 -66.28 -32.97 24.89 0.18 74.93 7.02 2.46 14.99 72.98 2.35 0.02 0.08 0.10 60 Q H H 123.67 2.62 16.22 19.20 95.98 54.46 -76.80 -19.16 36.67 0.25 63.08 6.60 5.35 24.51 60.72 2.55 0.04 0.09 0.15 61 S C S 44.69 12.35 10.77 23.16 108.92 65.51 -89.93 92.45 69.43 0.50 30.07 17.62 29.39 21.20 29.05 2.17 0.02 0.13 0.42 62 N C C 92.64 4.57 16.24 21.41 104.30 -91.23 -72.21 90.77 97.40 0.35 2.25 81.26 8.93 7.31 1.25 0.82 0.00 0.14 0.29 63 T C T 72.77 11.21 11.18 22.80 97.40 -161.62 -66.80 -26.27 77.19 0.47 22.34 12.07 11.32 53.73 4.06 18.23 0.00 0.22 0.38 64 E C T 146.05 1.88 17.25 19.17 95.14 59.51 -73.71 -21.18 79.04 0.17 20.78 2.44 8.73 68.92 3.65 16.00 0.00 0.09 0.17 65 E C T 97.87 6.52 16.95 24.24 102.67 37.88 -102.08 -1.85 77.41 0.78 21.81 7.16 12.45 58.17 4.42 16.86 0.01 0.48 0.44 66 N C C 22.04 20.87 12.08 32.01 121.90 98.01 -102.88 142.63 80.43 16.96 2.62 66.41 10.47 2.93 0.78 1.75 0.00 16.39 1.26 67 N E E 55.13 9.29 25.38 35.12 130.44 -169.40 -131.46 145.56 19.45 80.31 0.24 17.07 2.20 0.34 0.06 0.16 0.00 79.44 0.72 68 I E E 19.07 23.99 17.25 40.94 122.77 -158.61 -118.89 131.03 1.64 98.35 0.00 1.59 0.05 0.00 0.00 0.00 0.00 98.31 0.04 69 R E E 72.60 11.45 25.73 37.29 125.30 -170.49 -120.56 137.50 0.28 99.72 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 70 F E E 39.89 21.32 18.68 39.13 122.34 -160.55 -115.11 130.66 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 71 Y E E 49.37 14.11 22.11 36.58 125.22 -173.50 -125.95 136.51 0.56 99.44 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.01 72 N E E 72.66 10.73 23.72 34.33 114.13 -121.06 -76.12 135.28 6.81 93.18 0.01 6.15 0.34 0.02 0.00 0.00 0.00 93.34 0.15 73 L C C 16.50 23.29 12.66 35.50 118.90 -142.74 -97.66 140.57 74.15 25.69 0.16 70.44 2.74 0.22 0.06 0.09 0.00 25.36 1.09 74 N C C 56.46 6.87 18.91 26.71 120.38 -116.20 -78.21 163.16 95.82 3.69 0.50 92.79 3.18 0.34 0.36 0.11 0.00 2.28 0.94 75 K H H 140.34 3.77 15.80 21.00 91.40 -102.07 -59.96 -34.76 15.71 0.11 84.18 1.58 3.00 11.35 77.03 6.82 0.09 0.05 0.07 76 D H H 90.81 2.43 18.06 20.34 91.97 55.19 -66.71 -35.98 14.15 0.10 85.74 1.35 1.80 10.96 77.31 8.40 0.09 0.06 0.05 77 T H H 14.79 18.26 12.58 30.86 92.74 51.59 -68.42 -37.31 10.86 0.26 88.88 2.48 1.70 6.79 77.10 11.61 0.07 0.17 0.09 78 I H H 55.21 15.68 13.94 29.18 91.91 57.89 -64.66 -35.56 9.63 0.44 89.93 2.77 1.60 5.66 79.06 10.40 0.07 0.31 0.13 79 K H H 151.67 1.49 19.96 20.59 91.62 56.16 -70.23 -23.17 28.63 0.76 70.61 3.71 2.90 21.54 62.60 8.26 0.19 0.52 0.27 80 H H H 107.05 6.23 17.23 24.31 97.93 50.57 -93.07 -4.91 47.52 2.00 50.48 8.17 5.33 33.01 44.06 7.20 0.22 1.40 0.60 81 S C C 20.81 20.77 9.74 29.12 117.36 99.79 -87.45 139.92 67.20 20.33 12.47 53.94 7.22 4.38 11.45 2.12 0.02 18.55 2.32 82 H C E 101.05 6.52 18.19 25.63 117.78 -167.57 -110.06 136.58 48.32 42.48 9.20 39.48 4.32 2.86 8.49 1.80 0.02 39.68 3.34 83 D E E 79.82 8.84 14.87 24.62 116.89 -137.67 -104.57 129.23 42.69 50.09 7.22 34.68 4.07 2.67 6.07 1.83 0.01 47.64 3.02 84 I E E 70.72 11.19 10.88 22.84 113.67 -170.75 -108.13 115.39 45.02 45.94 9.04 25.28 9.58 11.55 6.69 3.20 0.09 39.32 4.29 85 N C T 119.63 3.18 13.06 17.52 99.07 -16.46 51.11 39.28 83.69 10.63 5.68 21.00 19.38 44.07 2.69 2.66 0.02 8.71 1.47 86 G C S 56.24 2.13 13.07 16.12 107.30 -42.61 91.00 -8.68 91.57 4.62 3.82 21.99 36.08 33.93 1.44 2.29 0.00 3.37 0.89 87 N C C 103.08 3.35 12.87 17.82 118.59 82.24 -97.34 139.25 81.71 16.67 1.62 46.94 32.75 3.04 0.99 0.79 0.00 12.64 2.85 88 P C C 80.36 6.48 12.67 20.77 113.57 -106.38 -66.07 146.02 79.33 17.85 2.83 68.36 7.64 2.49 1.54 1.37 0.00 15.90 2.70 89 I C C 71.19 12.54 9.67 22.46 112.18 -118.98 -81.69 130.79 79.66 13.69 6.66 67.98 6.76 4.30 2.90 3.87 0.00 11.33 2.85 90 A C C 72.98 4.54 13.39 19.43 111.67 -151.60 -90.82 137.18 84.33 9.19 6.49 58.93 17.46 7.76 2.24 4.52 0.00 7.22 1.86 91 Q C C 138.30 2.06 14.95 17.79 115.40 -54.71 -96.57 129.70 87.85 7.40 4.75 58.08 23.37 6.40 1.37 3.51 0.00 5.45 1.82 92 L C C 77.04 12.81 9.45 22.18 116.80 -130.41 -88.13 135.86 96.92 2.37 0.71 79.26 16.54 1.23 0.27 0.40 0.00 1.72 0.57 93 P C C 62.60 8.29 12.87 22.61 114.33 -107.85 -66.82 151.78 94.37 1.94 3.69 71.50 11.27 11.47 0.76 3.05 0.00 1.54 0.41 94 A C C 80.66 3.57 15.12 19.86 104.87 -114.43 -76.18 106.12 82.37 11.58 6.05 43.49 23.65 15.44 1.00 5.24 0.00 9.99 1.18 95 A C E 46.33 11.76 11.82 24.06 126.86 25.63 -120.34 146.88 51.17 42.80 6.04 37.17 9.95 4.95 1.33 4.27 0.01 40.82 1.50 96 I E E 81.07 8.49 15.15 25.01 119.57 -151.99 -112.58 130.15 26.07 71.31 2.61 21.88 3.57 1.39 1.46 1.30 0.00 67.87 2.54 97 V E E 66.11 11.00 14.06 26.10 114.34 -150.15 -100.22 122.54 25.70 73.61 0.69 24.60 0.70 0.32 0.44 0.26 0.00 70.54 3.13 98 L C C 66.21 12.10 15.08 27.66 111.05 -160.22 -95.24 116.09 98.26 1.72 0.01 98.38 0.07 0.02 0.00 0.00 0.00 1.49 0.03