# 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 87.09 10.81 15.95 27.04 117.28 -162.29 -97.49 133.07 99.87 0.13 0.00 99.87 0.04 0.01 0.00 0.00 0.00 0.07 0.00 1 E C C 101.48 8.21 17.49 26.43 120.24 -153.04 -104.31 137.35 55.07 44.75 0.18 52.61 1.13 0.37 0.05 0.10 0.00 44.81 0.93 2 A E E 19.37 18.58 14.27 32.71 128.98 -168.40 -122.86 147.00 22.87 77.01 0.12 20.17 1.82 0.23 0.03 0.07 0.00 77.30 0.38 3 K E E 86.51 10.03 23.35 33.70 129.45 -168.17 -129.69 143.40 6.29 93.67 0.04 5.71 0.48 0.06 0.02 0.02 0.00 93.49 0.23 4 A E E 11.35 22.32 17.10 39.03 129.33 -167.80 -127.73 143.91 4.09 95.88 0.03 3.78 0.26 0.03 0.01 0.01 0.00 95.82 0.09 5 I E E 57.52 10.83 24.72 35.94 125.50 -164.88 -126.85 134.41 3.62 96.36 0.02 3.39 0.20 0.02 0.01 0.01 0.00 96.20 0.15 6 A E E 14.52 21.40 15.73 36.75 120.34 -152.64 -109.32 131.90 9.45 90.44 0.10 9.24 0.37 0.07 0.03 0.05 0.00 90.02 0.23 7 R E E 113.97 7.55 22.28 30.15 115.55 -173.00 -111.43 142.46 24.46 75.40 0.14 9.18 13.86 1.36 0.02 0.12 0.00 75.28 0.17 8 Y E E 133.00 6.93 22.67 29.77 98.84 8.37 72.94 45.12 15.10 84.78 0.12 10.09 4.39 0.72 0.02 0.10 0.00 84.44 0.24 9 V E E 15.46 22.71 13.73 36.18 116.56 162.38 -98.52 127.11 13.53 86.39 0.09 12.86 0.81 0.09 0.03 0.04 0.00 85.12 1.05 10 R E E 130.61 5.92 24.98 31.36 107.53 -151.46 -94.20 99.04 49.24 50.71 0.05 39.56 8.48 0.24 0.01 0.04 0.00 50.92 0.75 11 I C C 16.27 22.30 14.06 36.12 131.23 138.86 -130.87 149.55 82.73 17.21 0.05 72.92 11.21 0.14 0.03 0.03 0.00 13.09 2.57 12 S C C 40.68 6.50 22.54 29.55 115.89 -103.60 -70.12 149.33 99.78 0.20 0.02 99.62 0.23 0.01 0.01 0.00 0.00 0.09 0.03 13 P H H 53.34 15.26 15.41 30.64 91.58 -117.29 -58.15 -36.65 3.00 0.01 96.99 0.40 0.30 2.06 96.34 0.90 0.00 0.00 0.00 14 R H H 144.98 2.96 22.42 25.61 91.37 55.20 -63.33 -38.84 1.45 0.00 98.54 0.12 0.10 1.10 97.77 0.91 0.00 0.00 0.00 15 K H H 59.97 13.48 20.87 34.07 91.99 48.83 -66.87 -39.11 0.90 0.01 99.10 0.17 0.07 0.54 98.28 0.94 0.00 0.00 0.00 16 V H H 2.40 26.51 16.83 43.85 91.15 52.54 -63.54 -42.44 0.32 0.00 99.68 0.06 0.02 0.15 99.67 0.10 0.00 0.00 0.00 17 R H H 98.07 11.65 23.67 34.85 91.18 52.39 -62.21 -41.30 0.14 0.00 99.86 0.02 0.01 0.06 99.89 0.03 0.00 0.00 0.00 18 L H H 64.45 7.23 25.67 33.45 91.74 50.69 -64.51 -41.76 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 19 V H H 2.51 25.59 21.35 46.86 91.71 49.08 -64.40 -44.01 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 20 V H H 5.88 24.81 20.71 45.22 91.46 50.24 -62.84 -41.83 0.16 0.00 99.84 0.01 0.00 0.11 99.77 0.10 0.00 0.00 0.00 21 D H H 81.65 5.67 25.98 32.25 91.29 53.12 -64.77 -35.51 0.88 0.00 99.12 0.03 0.02 0.82 98.42 0.71 0.00 0.00 0.00 22 L H H 47.10 13.19 22.76 35.94 91.81 53.20 -69.19 -28.75 3.70 0.00 96.30 0.04 0.06 4.11 94.78 1.01 0.00 0.00 0.00 23 I H H 2.17 26.48 15.85 43.44 96.01 48.87 -89.42 -15.69 22.88 0.03 77.09 0.57 0.88 21.65 75.53 1.32 0.02 0.01 0.02 24 R C T 97.60 14.33 17.50 31.80 112.11 114.38 -62.46 131.91 98.13 0.05 1.82 0.25 0.54 97.74 1.29 0.12 0.00 0.01 0.05 25 G C T 52.81 2.94 21.50 24.99 94.12 17.30 84.67 -2.53 99.76 0.01 0.23 0.14 0.73 98.95 0.15 0.03 0.00 0.00 0.00 26 K C S 59.01 13.84 15.13 29.53 123.46 123.26 -86.65 153.60 99.66 0.33 0.01 49.66 49.98 0.12 0.00 0.00 0.00 0.11 0.12 27 S E B 44.91 5.60 23.86 29.73 118.60 -108.05 -72.92 155.63 9.70 90.28 0.02 7.52 0.10 0.00 0.02 0.00 0.00 3.70 88.66 28 L H H 13.77 23.52 13.74 37.40 91.11 -111.43 -57.81 -39.52 0.39 0.00 99.61 0.04 0.02 0.25 99.44 0.24 0.00 0.00 0.00 29 E H H 117.09 4.01 22.71 27.42 91.30 53.62 -63.17 -40.84 0.11 0.00 99.89 0.01 0.00 0.08 99.74 0.17 0.00 0.00 0.00 30 E H H 94.25 4.06 23.93 27.70 91.66 47.98 -65.84 -40.34 0.04 0.00 99.96 0.00 0.00 0.03 99.81 0.15 0.00 0.00 0.00 31 A H H 2.43 24.26 15.51 40.29 91.43 50.91 -63.94 -43.04 0.07 0.00 99.93 0.00 0.00 0.04 99.86 0.09 0.00 0.00 0.00 32 R H H 65.67 16.93 20.17 35.99 91.40 51.79 -62.01 -41.83 0.20 0.00 99.80 0.01 0.00 0.15 99.58 0.25 0.00 0.00 0.00 33 N H H 88.33 2.22 25.15 25.69 91.44 51.07 -63.86 -41.23 0.88 0.00 99.12 0.02 0.02 0.85 97.61 1.50 0.00 0.00 0.00 34 I H H 40.02 12.42 20.53 33.54 91.83 49.92 -64.84 -41.26 1.72 0.00 98.28 0.05 0.05 1.56 93.72 4.63 0.00 0.00 0.00 35 L H H 3.75 25.85 13.69 39.86 91.35 52.42 -66.78 -32.44 4.67 0.01 95.32 0.29 0.22 3.86 80.85 14.76 0.01 0.00 0.00 36 R H H 133.70 7.70 19.35 28.08 90.85 63.18 -66.43 -24.27 38.22 0.04 61.75 0.69 0.83 38.47 46.74 13.22 0.01 0.02 0.04 37 Y C T 155.29 2.88 19.82 22.71 95.52 50.64 -92.61 -3.44 60.47 0.06 39.47 1.42 2.36 57.81 28.68 9.64 0.01 0.02 0.06 38 T C S 26.62 18.42 9.44 27.06 120.51 95.13 -85.63 144.91 98.67 0.40 0.93 42.84 54.55 1.17 0.82 0.15 0.00 0.08 0.39 39 N C C 127.39 2.00 19.07 20.94 97.05 -135.62 -85.98 16.47 98.89 0.79 0.32 79.85 17.38 1.49 0.16 0.13 0.00 0.22 0.76 40 K C S 79.12 12.07 13.58 26.32 119.51 111.13 -87.67 143.49 93.86 1.56 4.58 41.58 49.76 1.94 4.10 0.56 0.00 0.25 1.80 41 R C T 146.78 4.48 21.58 26.95 94.31 -118.29 -63.14 -31.87 69.07 0.14 30.80 1.16 4.54 63.55 24.04 6.48 0.03 0.05 0.16 42 G C T 6.36 20.85 17.13 37.68 92.11 53.14 -73.40 -19.25 61.73 0.06 38.20 2.41 2.35 56.30 32.91 5.94 0.01 0.02 0.06 43 A H H 8.46 21.37 17.37 38.95 91.83 86.38 -60.64 -39.01 2.24 0.01 97.75 0.89 0.26 0.83 96.00 2.00 0.00 0.00 0.00 44 Y H H 124.39 5.62 26.43 32.63 91.81 54.17 -64.06 -40.33 0.36 0.00 99.64 0.08 0.02 0.18 99.31 0.40 0.00 0.00 0.00 45 F H H 42.84 14.12 24.77 38.78 91.65 50.10 -64.73 -42.16 0.13 0.00 99.87 0.02 0.01 0.07 99.66 0.24 0.00 0.00 0.00 46 V H H 0.92 27.85 22.02 50.31 91.26 49.57 -64.08 -43.12 0.05 0.00 99.95 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 47 A H H 17.13 18.12 23.92 41.27 91.28 51.28 -62.63 -42.34 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 48 K H H 103.90 4.34 28.72 33.56 91.44 50.36 -64.16 -41.35 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 49 V H H 9.03 20.28 23.55 43.52 91.34 49.85 -63.67 -43.87 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 50 L H H 1.56 27.49 21.75 49.53 91.27 48.92 -63.96 -42.85 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 51 E H H 90.72 9.20 26.85 36.42 91.41 50.32 -63.77 -41.91 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.01 0.00 0.00 0.00 52 S H H 43.36 6.18 27.23 34.28 91.51 49.65 -64.37 -42.29 0.55 0.00 99.45 0.06 0.03 0.38 99.49 0.04 0.00 0.00 0.00 53 A H H 3.77 22.65 21.14 43.81 91.41 49.78 -64.19 -42.56 0.66 0.00 99.34 0.09 0.05 0.42 99.37 0.07 0.00 0.00 0.00 54 A H H 14.53 19.32 21.86 40.52 91.27 50.98 -62.62 -42.32 0.63 0.00 99.37 0.10 0.04 0.38 99.35 0.13 0.00 0.00 0.00 55 A H H 55.64 3.26 26.03 28.61 91.29 50.11 -63.47 -42.21 1.41 0.00 98.59 0.14 0.08 1.02 98.48 0.27 0.00 0.00 0.00 56 N H H 55.07 8.06 22.65 31.34 92.17 48.66 -66.18 -39.30 3.54 0.01 96.45 0.35 0.26 2.70 96.18 0.50 0.00 0.00 0.00 57 A H H 5.47 21.08 14.03 35.49 92.18 51.91 -65.17 -41.17 5.69 0.05 94.26 1.15 0.75 3.68 92.96 1.39 0.02 0.02 0.03 58 V H H 68.18 9.01 16.96 26.63 93.09 49.87 -66.26 -39.94 12.29 0.15 87.55 2.04 1.52 8.86 85.53 1.85 0.07 0.06 0.09 59 N H H 119.23 1.32 18.25 18.36 95.22 43.66 -72.97 -34.25 24.02 0.11 75.87 1.96 2.44 19.54 74.08 1.81 0.05 0.04 0.07 60 N C H 92.06 5.28 14.93 21.26 100.70 34.93 -93.40 -22.78 54.53 0.21 45.26 4.37 7.40 41.02 45.04 1.92 0.04 0.07 0.15 61 H C T 80.64 10.08 11.93 22.93 104.64 27.28 -113.95 13.43 84.65 0.50 14.85 14.65 30.24 39.49 12.51 2.47 0.01 0.16 0.46 62 D C C 127.07 1.12 18.31 18.48 94.77 -116.79 55.09 40.93 99.18 0.13 0.69 51.47 17.85 29.87 0.19 0.47 0.00 0.06 0.08 63 M C C 35.35 18.53 8.96 26.48 120.77 150.93 -94.63 143.12 98.99 0.68 0.33 88.64 9.53 0.73 0.12 0.17 0.00 0.23 0.59 64 L C C 89.80 3.51 21.72 24.73 107.51 -120.97 -81.34 119.91 99.45 0.36 0.19 98.82 0.59 0.20 0.04 0.07 0.00 0.15 0.13 65 E H G 72.28 18.04 12.23 29.19 92.84 -146.05 -60.68 -31.58 10.35 0.23 89.42 1.06 1.07 6.48 0.41 90.79 0.00 0.17 0.01 66 D H G 109.00 2.83 19.99 23.33 90.92 63.99 -71.72 -15.86 10.79 0.27 88.94 0.46 0.88 7.69 0.32 90.40 0.00 0.23 0.01 67 R H G 106.98 8.77 19.63 29.08 96.95 54.30 -98.41 0.34 11.25 0.51 88.25 1.33 1.39 6.53 0.39 89.91 0.00 0.43 0.02 68 L E E 6.00 25.46 13.46 39.32 119.53 94.91 -97.43 138.37 25.46 74.48 0.06 22.39 2.84 0.11 0.01 0.05 0.00 74.19 0.41 69 Y E E 65.00 10.54 27.09 38.22 128.70 -171.24 -128.05 143.19 1.15 98.85 0.00 1.01 0.05 0.00 0.00 0.00 0.00 98.88 0.05 70 V E E 12.66 23.91 16.96 41.03 109.96 -120.73 -82.10 121.13 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 71 K E E 89.13 7.94 23.30 31.90 99.99 176.43 -92.43 -34.30 0.86 99.14 0.00 0.55 0.15 0.00 0.00 0.00 0.00 99.29 0.00 72 A E E 40.14 7.54 25.37 33.99 140.93 0.12 -155.65 151.35 0.38 99.62 0.00 0.26 0.04 0.00 0.00 0.00 0.00 99.70 0.00 73 A E E 10.60 24.59 15.10 39.43 129.85 -170.65 -135.16 139.12 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 74 Y E E 82.62 8.30 26.55 35.54 131.42 -173.72 -134.60 144.44 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 75 V E E 26.18 21.96 15.10 36.45 123.07 -160.71 -119.50 134.10 2.11 97.88 0.00 1.91 0.07 0.00 0.00 0.00 0.00 97.98 0.04 76 D E E 59.98 8.65 21.42 30.45 121.48 -165.84 -110.92 143.15 16.91 83.07 0.01 14.00 2.10 0.10 0.00 0.01 0.00 83.45 0.33 77 E E E 106.54 9.62 17.26 27.43 115.08 -120.48 -90.78 133.33 37.22 62.72 0.06 32.41 3.82 0.24 0.01 0.05 0.00 61.85 1.61 78 G C C 21.25 13.10 12.41 25.97 126.85 -141.43 -88.90 172.85 60.64 39.27 0.09 48.37 10.74 0.62 0.01 0.10 0.00 39.33 0.83 79 P C C 87.91 3.78 17.30 21.68 113.69 -65.32 -68.23 148.42 61.46 38.40 0.13 42.84 16.38 1.21 0.02 0.15 0.00 38.84 0.56 80 A E E 58.88 10.25 11.02 22.06 119.67 -134.09 -104.04 140.61 22.98 76.86 0.16 20.06 2.65 0.32 0.05 0.12 0.00 75.11 1.70 81 L E E 93.15 5.67 12.18 19.72 119.16 -143.44 -108.10 135.08 12.99 86.95 0.06 11.81 0.99 0.11 0.02 0.04 0.00 86.16 0.87 82 K E E 132.60 4.56 11.62 18.40 118.42 -144.30 -102.70 133.53 12.08 87.89 0.03 11.18 0.57 0.05 0.01 0.01 0.00 87.84 0.34 83 R E E 129.71 4.94 11.34 18.24 124.04 -171.88 -118.21 143.85 13.82 86.16 0.02 13.03 0.50 0.04 0.00 0.01 0.00 86.12 0.30 84 V E E 91.64 5.14 9.69 16.91 117.15 -133.99 -99.84 133.07 12.74 87.23 0.03 12.21 0.42 0.04 0.01 0.02 0.00 85.92 1.38 85 L E E 99.58 3.66 10.86 16.48 120.37 -164.72 -114.82 134.52 19.93 80.02 0.04 18.74 0.76 0.07 0.01 0.02 0.00 79.86 0.54 86 P E E 95.09 3.26 8.77 14.07 113.54 -113.93 -71.97 139.12 27.78 71.17 1.05 25.07 2.02 0.68 0.36 0.60 0.00 69.53 1.73 87 R C C 148.04 3.02 7.93 12.85 117.26 -165.22 -105.91 152.74 61.30 22.00 16.70 46.93 8.44 6.36 2.55 13.91 0.00 20.11 1.69 88 A H G 92.80 1.00 7.65 9.40 113.99 -44.74 -87.87 135.38 38.97 16.60 44.43 9.00 12.15 21.78 2.41 39.60 0.10 12.16 2.80 89 R C G 206.23 0.36 9.09 8.51 96.05 -3.58 47.24 35.71 57.29 1.10 41.62 3.65 9.41 41.40 1.34 43.10 0.00 0.67 0.42 90 G C T 64.80 0.75 8.77 9.74 96.74 -57.81 80.63 2.49 79.67 1.29 19.05 6.56 21.19 50.11 0.91 19.93 0.01 0.77 0.53 91 R C C 150.97 1.75 8.87 12.22 121.95 109.72 -107.94 145.10 55.73 41.82 2.45 35.08 14.38 8.16 0.54 2.11 0.01 34.43 5.30 92 A E E 70.15 5.13 7.84 14.98 118.67 -138.19 -99.83 139.96 41.34 58.07 0.60 33.99 5.97 1.49 0.16 0.48 0.00 56.11 1.81 93 D E E 82.33 4.09 11.82 17.81 125.14 -170.68 -121.59 146.19 25.53 74.33 0.14 21.19 3.46 0.45 0.03 0.09 0.00 74.33 0.45 94 I E E 108.48 5.16 11.21 18.39 115.25 -120.05 -85.32 132.22 14.09 85.88 0.04 12.98 0.68 0.06 0.01 0.02 0.00 85.96 0.29 95 I E E 79.91 7.63 11.29 20.64 120.34 -165.73 -110.06 136.04 10.27 89.71 0.02 9.77 0.35 0.03 0.01 0.01 0.00 89.60 0.23 96 K E E 120.82 5.65 13.31 20.71 116.44 -140.36 -99.68 128.62 7.80 92.18 0.01 7.26 0.32 0.03 0.00 0.01 0.00 92.04 0.34 97 K E E 96.31 9.24 14.13 24.62 125.04 -173.33 -121.57 140.67 17.84 82.14 0.01 16.75 0.67 0.03 0.00 0.01 0.00 82.11 0.42 98 R E E 106.47 9.99 16.60 27.32 117.33 -133.74 -93.16 136.10 26.01 73.98 0.02 25.19 0.63 0.04 0.00 0.01 0.00 73.50 0.63 99 T E E 41.83 12.91 18.28 31.58 127.62 -165.23 -118.97 150.51 28.22 71.75 0.02 27.24 0.81 0.05 0.00 0.01 0.00 70.95 0.94 100 S E E 12.60 19.22 16.79 36.06 127.19 -145.26 -119.81 147.09 18.35 81.63 0.01 16.88 0.98 0.05 0.00 0.01 0.00 81.51 0.57 101 H E E 63.09 10.81 23.68 34.90 122.12 -150.33 -114.30 132.77 8.76 91.24 0.01 7.65 0.69 0.03 0.00 0.00 0.00 91.49 0.15 102 I E E 10.33 23.20 17.94 41.25 122.13 -164.60 -116.85 132.51 2.22 97.78 0.00 2.17 0.05 0.00 0.00 0.00 0.00 97.74 0.03 103 T E E 30.48 11.01 25.78 37.69 121.33 -164.49 -114.26 131.96 0.58 99.42 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 104 V E E 6.69 24.07 19.12 43.48 120.23 -162.34 -113.35 128.77 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 105 I E E 36.35 10.97 26.45 38.45 119.97 -165.52 -113.66 129.13 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 106 L E E 13.22 22.88 18.42 41.14 120.76 -163.47 -110.02 133.60 1.27 98.72 0.00 1.15 0.04 0.00 0.00 0.00 0.00 98.79 0.02 107 G E E 15.50 10.60 22.87 34.28 139.97 163.76 -146.37 168.63 6.02 93.95 0.03 5.20 0.50 0.06 0.01 0.01 0.00 94.06 0.15 108 E E E 82.80 12.03 16.87 29.11 117.13 -101.18 -91.88 136.84 22.34 77.42 0.25 19.89 2.09 0.37 0.09 0.15 0.00 76.56 0.84 109 K C C 99.18 9.70 12.69 23.34 115.39 -133.87 -91.13 134.78 75.37 22.91 1.73 61.04 9.11 3.92 0.40 1.41 0.00 22.71 1.39 110 H C C 142.50 3.06 11.81 16.65 112.01 -133.54 -90.14 128.61 87.27 10.39 2.34 54.32 16.23 16.57 0.42 2.09 0.00 9.19 1.18 111 G C C 53.54 2.92 10.46 15.05 113.58 20.93 90.13 155.06 95.76 2.85 1.39 77.96 3.55 14.36 0.23 1.04 0.00 2.30 0.57 112 K C C 159.48 1.96 12.00 15.15 107.05 -80.78 -86.04 85.86 99.92 0.07 0.01 99.82 0.09 0.04 0.00 0.00 0.00 0.03 0.01