# 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 D C C 84.06 5.08 13.46 19.67 107.73 -141.95 -85.55 107.90 99.68 0.16 0.16 99.48 0.17 0.12 0.10 0.01 0.00 0.07 0.04 1 Y C C 138.21 4.20 10.89 16.46 97.43 133.34 -73.90 -24.02 57.00 1.61 41.38 42.67 1.87 11.69 39.52 2.73 0.00 0.78 0.75 2 Y H H 137.98 3.91 10.92 16.16 95.13 61.78 -69.40 -33.88 42.93 1.17 55.90 21.30 7.28 15.71 51.53 3.08 0.03 0.52 0.56 3 R H H 136.12 3.93 12.38 17.44 93.88 56.22 -66.90 -37.75 21.03 0.55 78.41 11.50 4.24 6.99 73.63 3.13 0.02 0.27 0.22 4 K H H 121.41 2.80 13.95 17.32 93.94 51.90 -67.11 -39.62 13.18 0.42 86.40 7.06 2.37 4.75 82.69 2.73 0.02 0.23 0.15 5 Y H H 123.24 3.44 14.70 18.63 93.53 49.96 -67.37 -39.70 10.45 0.50 89.04 5.79 1.73 3.76 86.05 2.20 0.02 0.30 0.17 6 A H H 44.68 5.60 13.98 21.00 92.73 51.74 -65.33 -40.88 4.66 0.12 95.23 2.57 0.68 1.54 94.53 0.57 0.00 0.06 0.03 7 A H H 51.52 4.19 15.32 20.56 92.47 51.94 -64.45 -41.64 1.36 0.02 98.61 0.65 0.17 0.49 98.51 0.17 0.00 0.01 0.00 8 I H H 93.49 2.63 17.20 19.59 92.24 49.79 -64.75 -41.94 0.50 0.01 99.49 0.20 0.05 0.21 99.45 0.08 0.00 0.01 0.00 9 F H H 101.72 4.46 16.46 21.53 91.95 49.75 -65.00 -41.73 0.23 0.02 99.75 0.07 0.02 0.11 99.73 0.04 0.00 0.01 0.00 10 L H H 79.24 5.99 15.93 22.66 91.93 50.17 -64.69 -41.71 0.10 0.00 99.90 0.02 0.01 0.06 99.90 0.02 0.00 0.00 0.00 11 V H H 81.22 3.48 17.26 21.06 91.85 49.62 -64.65 -41.96 0.09 0.00 99.91 0.01 0.01 0.06 99.91 0.01 0.00 0.00 0.00 12 T H H 72.70 3.16 17.84 20.96 91.76 49.71 -64.51 -41.88 0.11 0.00 99.89 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 13 L H H 71.31 6.68 16.60 23.98 91.81 49.67 -64.50 -41.25 0.17 0.00 99.82 0.01 0.01 0.12 99.83 0.02 0.00 0.00 0.00 14 S H H 44.21 7.19 16.11 24.42 91.78 51.50 -64.31 -41.15 0.51 0.01 99.49 0.05 0.02 0.38 99.48 0.06 0.00 0.00 0.00 15 V H H 79.28 3.41 18.35 22.00 91.67 50.35 -64.59 -41.81 0.70 0.00 99.29 0.05 0.03 0.57 99.22 0.12 0.00 0.00 0.00 16 F H H 100.39 4.86 17.85 23.27 91.77 49.84 -64.57 -41.57 1.13 0.01 98.86 0.10 0.07 0.87 98.56 0.38 0.00 0.01 0.00 17 L H H 59.72 9.74 16.17 26.60 91.86 50.90 -64.81 -40.70 2.04 0.02 97.94 0.22 0.14 1.54 97.26 0.83 0.00 0.01 0.01 18 H H H 90.45 6.75 17.31 24.88 92.20 51.20 -65.15 -39.64 4.53 0.05 95.42 0.55 0.36 3.48 94.10 1.44 0.02 0.03 0.02 19 V H H 75.67 4.78 17.87 23.35 92.72 50.21 -66.07 -40.16 4.49 0.06 95.46 0.69 0.42 3.23 93.12 2.47 0.02 0.04 0.02 20 L H H 66.16 9.42 16.07 26.31 92.54 51.51 -67.31 -36.27 6.34 0.09 93.57 0.87 0.57 4.72 86.95 6.79 0.03 0.06 0.03 21 H H H 94.29 8.86 16.00 25.43 94.80 51.02 -79.19 -21.40 20.40 0.18 79.42 1.63 1.50 17.14 73.68 5.79 0.08 0.10 0.09 22 S H H 61.20 6.03 16.22 23.29 97.76 58.90 -86.93 -6.61 41.03 0.57 58.40 4.46 5.64 31.45 52.43 5.20 0.21 0.24 0.37 23 A C S 46.79 10.35 12.36 23.80 114.05 99.78 -86.39 132.59 85.50 2.53 11.97 37.24 40.21 8.46 8.23 3.29 0.03 0.89 1.66 24 P C C 76.36 7.13 13.33 21.73 106.33 -115.56 -70.99 124.55 81.16 1.70 17.14 38.29 12.91 30.73 5.80 10.52 0.00 0.90 0.84 25 D C C 102.81 4.00 14.63 19.84 105.35 -132.27 -90.39 61.54 82.25 2.28 15.47 41.04 13.08 29.08 4.55 9.93 0.00 1.19 1.13 26 V C C 65.08 11.58 10.62 22.60 111.87 124.43 -95.79 110.62 90.25 1.71 8.03 69.53 12.00 8.48 2.24 5.87 0.00 0.90 0.98 27 Q C C 124.86 3.44 14.71 19.47 112.19 -160.71 -87.54 123.05 96.69 1.48 1.83 79.56 9.39 7.70 0.61 1.16 0.00 0.82 0.77 28 D C C 108.94 3.48 15.44 20.05 103.73 -11.19 -43.63 49.46 97.65 1.53 0.82 70.27 18.93 8.28 0.18 0.72 0.00 0.75 0.88 29 C C C 29.13 15.66 9.08 24.55 110.41 137.33 -102.93 103.11 97.31 2.16 0.53 85.97 10.14 1.08 0.17 0.35 0.00 0.90 1.39 30 P C G 91.54 3.94 17.52 22.46 94.67 -159.58 -65.89 -25.96 53.52 1.34 45.13 14.86 9.44 27.33 2.40 44.76 0.00 0.76 0.44 31 E C G 102.06 8.06 17.79 26.39 94.86 59.14 -74.66 -16.34 49.68 2.56 47.76 6.37 9.32 33.42 2.51 46.03 0.02 1.70 0.65 32 C H G 19.40 19.63 13.57 32.72 102.89 52.40 -104.74 16.65 39.32 10.20 50.48 16.95 9.01 15.93 3.41 45.28 0.03 7.79 1.61 33 T C C 57.85 8.43 22.77 31.87 120.21 125.90 -96.26 139.88 51.63 42.39 5.98 37.13 11.83 2.61 3.19 3.07 0.11 29.96 12.10 34 L C E 26.85 22.41 13.17 34.90 115.15 -122.38 -82.90 136.29 52.31 45.72 1.97 42.40 8.53 1.55 1.01 1.03 0.03 42.51 2.95 35 Q E E 98.92 5.04 22.66 28.36 123.88 -161.18 -113.60 145.77 32.95 65.84 1.21 27.22 5.16 1.09 0.58 0.67 0.01 62.18 3.11 36 E E E 102.18 10.65 16.48 27.66 113.29 -105.94 -71.63 136.84 31.76 67.52 0.73 27.46 2.22 0.38 0.54 0.32 0.00 49.17 19.90 37 N C C 27.44 16.41 11.00 27.89 110.30 -132.44 -90.29 115.91 91.51 8.31 0.18 89.99 1.95 0.23 0.07 0.08 0.00 5.98 1.71 38 P C T 101.32 2.74 17.13 20.82 92.72 -156.82 -67.26 -24.69 69.76 1.32 28.92 6.15 10.57 53.30 4.47 23.96 0.02 0.87 0.65 39 F C T 111.61 6.51 16.02 23.61 93.56 60.34 -71.29 -27.39 73.48 0.86 25.66 1.73 7.82 65.25 2.91 21.26 0.02 0.56 0.45 40 F C T 50.22 15.60 11.98 27.45 101.23 39.62 -103.05 -3.26 72.49 2.40 25.11 4.93 10.75 56.28 2.90 22.32 0.08 1.50 1.24 41 S C C 45.94 11.24 12.02 23.93 105.86 88.21 -90.16 32.41 83.16 8.30 8.54 49.44 22.62 10.57 2.74 5.91 0.01 3.73 4.98 42 Q C S 99.87 4.42 12.37 18.49 120.22 119.05 -104.05 137.63 88.28 10.97 0.75 40.69 44.78 2.38 0.32 0.40 0.00 3.49 7.95 43 P C T 118.12 1.59 11.93 14.56 108.55 -94.67 -61.86 134.22 98.32 0.82 0.86 2.32 9.97 86.09 0.08 0.76 0.00 0.49 0.29 44 G C T 65.41 0.73 13.53 13.21 97.87 16.73 83.85 -3.06 99.18 0.36 0.46 2.97 12.68 83.47 0.03 0.51 0.00 0.26 0.08 45 A C S 48.79 7.72 11.20 20.69 119.95 105.23 -104.42 134.95 91.25 8.47 0.27 45.07 46.51 0.84 0.08 0.19 0.00 4.36 2.95 46 P C C 73.44 6.54 16.50 24.13 113.80 -118.35 -71.55 142.59 87.37 12.43 0.20 83.57 3.46 0.47 0.07 0.13 0.00 9.84 2.48 47 I C C 40.29 17.39 14.63 31.98 121.04 -146.61 -108.06 134.20 52.29 47.17 0.54 45.20 5.27 0.69 0.24 0.36 0.00 43.33 4.90 48 L E E 55.26 12.36 21.27 33.97 121.10 -156.70 -109.03 136.18 21.45 77.91 0.64 17.87 3.13 0.75 0.29 0.43 0.00 74.37 3.15 49 Q E E 47.73 16.54 20.52 36.54 122.54 -153.60 -108.57 141.88 22.61 75.62 1.77 15.76 6.22 2.48 0.62 1.12 0.01 72.01 1.77 50 C E E 18.34 20.23 17.00 37.30 113.21 -120.25 -81.17 133.06 30.70 67.80 1.50 24.51 4.74 2.06 0.57 0.97 0.00 64.79 2.35 51 M E E 83.10 10.43 22.76 33.25 105.24 -160.72 -100.66 -2.47 39.97 57.75 2.27 19.94 14.89 9.23 0.56 1.65 0.03 51.59 2.11 52 G C E 19.42 12.00 21.52 33.68 135.90 -11.55 166.80 -174.00 49.43 49.02 1.54 13.25 25.45 12.57 0.20 1.24 0.01 46.00 1.28 53 C E E 40.39 14.30 21.59 35.70 129.25 -93.31 -128.35 150.81 41.08 56.98 1.94 25.85 12.95 4.99 0.46 1.49 0.01 52.61 1.63 54 C E E 22.65 19.25 18.59 37.42 125.25 -158.73 -121.29 140.13 26.01 72.90 1.08 18.96 6.83 2.08 0.37 0.73 0.00 69.29 1.74 55 F E E 65.47 13.15 22.75 35.89 126.87 -165.82 -122.39 142.39 15.75 83.52 0.74 12.13 3.52 1.06 0.28 0.41 0.00 81.47 1.14 56 S E E 28.07 18.90 17.34 35.34 128.43 -166.86 -123.41 144.34 14.89 84.37 0.75 11.44 3.20 0.92 0.27 0.39 0.00 83.02 0.76 57 R E E 93.74 10.92 22.07 33.11 129.47 -170.27 -130.59 142.89 16.24 82.85 0.91 12.13 3.90 1.21 0.36 0.48 0.00 80.68 1.24 58 A E E 40.19 15.44 16.82 31.91 118.75 -139.26 -98.96 134.75 31.37 67.92 0.71 23.19 7.85 1.40 0.29 0.43 0.00 64.95 1.87 59 Y C C 73.45 11.74 17.65 30.31 127.83 -170.58 -127.17 143.82 54.99 44.74 0.26 42.60 11.32 0.94 0.08 0.22 0.00 42.57 2.27 60 P C C 75.69 7.59 18.07 26.25 112.51 -104.22 -69.33 144.54 76.47 23.18 0.35 52.37 22.67 1.73 0.10 0.31 0.00 20.98 1.85 61 T C C 39.06 14.43 11.41 26.15 119.64 -137.83 -101.27 142.17 90.03 9.17 0.80 70.36 18.63 1.22 0.45 0.39 0.00 6.10 2.84 62 P C C 71.56 4.36 15.90 21.18 110.02 -105.58 -68.12 150.07 72.62 4.43 22.95 47.25 12.74 12.30 16.32 7.04 0.01 2.73 1.62 63 L C H 103.37 6.20 11.66 19.32 94.89 -115.00 -64.08 -31.35 49.61 2.52 47.87 17.75 11.61 20.78 32.27 14.92 0.16 1.48 1.03 64 R H H 153.78 2.15 14.21 16.79 94.70 59.48 -69.21 -32.63 43.91 5.19 50.90 19.06 9.74 16.04 33.43 16.46 0.23 3.45 1.57 65 S H H 43.18 7.51 11.88 21.00 94.78 55.57 -71.05 -31.36 40.97 6.27 52.77 24.36 7.74 9.81 36.33 15.72 0.10 4.20 1.74 66 K H H 88.69 10.37 10.75 21.71 93.78 61.99 -68.91 -29.98 40.65 5.23 54.12 16.96 8.16 16.20 36.20 17.02 0.29 3.51 1.66 67 K C H 149.15 2.02 14.45 17.03 93.63 60.35 -71.21 -26.15 51.14 3.53 45.33 12.02 10.00 28.57 30.04 15.33 0.42 2.21 1.40 68 T C T 86.68 3.49 13.16 17.60 98.98 49.09 -90.69 -10.28 59.08 4.64 36.28 15.27 12.63 31.54 23.38 12.18 0.37 2.72 1.92 69 M C C 65.06 12.63 7.98 20.54 116.44 91.58 -93.45 135.18 75.23 10.58 14.19 38.29 23.90 13.99 9.15 4.75 0.11 5.40 4.42 70 L C S 131.30 1.98 14.56 16.97 98.03 -149.73 -78.78 -14.34 84.64 8.09 7.27 33.50 35.95 16.08 3.70 3.34 0.03 5.30 2.11 71 V C S 77.77 6.30 11.57 19.67 117.49 72.70 -105.04 129.73 83.15 12.32 4.53 34.86 42.59 6.55 2.49 2.08 0.02 7.75 3.67 72 Q C C 111.53 6.03 14.07 21.67 112.33 -135.68 -78.07 132.75 83.46 12.31 4.23 68.45 10.23 4.15 2.46 1.96 0.00 8.82 3.93 73 K C C 107.02 9.21 12.72 22.80 113.90 -151.13 -94.11 135.97 85.19 11.34 3.47 61.76 18.92 4.14 2.18 1.49 0.00 6.90 4.61 74 N C C 76.72 8.10 15.45 24.41 109.86 -111.73 -82.76 113.66 89.89 6.53 3.58 74.37 11.33 3.94 2.14 1.51 0.00 4.20 2.50 75 V C C 71.15 11.15 15.07 26.58 97.53 -157.28 -72.02 -19.22 64.83 7.46 27.71 31.66 11.59 22.80 10.47 16.28 0.06 4.92 2.22 76 T C T 64.09 9.95 17.09 27.40 98.03 62.40 -83.47 -13.59 58.46 11.15 30.39 18.77 13.80 27.55 10.52 18.61 0.22 8.12 2.42 77 S C C 42.18 11.53 17.16 29.14 101.73 66.03 -87.09 4.06 49.20 21.54 29.26 20.86 13.76 18.04 9.76 17.65 0.27 16.76 2.88 78 E C E 78.65 11.47 20.29 31.69 107.54 84.27 -97.76 53.41 45.25 36.98 17.77 25.05 12.21 10.53 8.21 8.93 0.31 31.10 3.67 79 S E E 17.09 18.87 17.92 36.37 128.15 126.70 -117.34 150.66 45.37 50.74 3.89 32.72 9.29 4.07 1.64 2.13 0.03 48.40 1.72 80 T E E 38.49 14.28 24.73 38.78 125.03 -144.33 -116.52 141.46 21.55 77.30 1.14 16.52 4.53 1.23 0.52 0.62 0.00 75.46 1.12 81 C E E 11.14 22.04 21.36 42.86 129.28 -164.90 -125.22 145.54 9.55 89.92 0.53 6.91 2.38 0.65 0.20 0.30 0.00 89.13 0.44 82 C E E 11.86 19.77 23.81 43.22 119.92 -152.61 -110.48 133.37 3.89 95.91 0.19 2.78 0.85 0.20 0.07 0.09 0.00 95.85 0.16 83 V E E 20.59 17.78 24.08 41.54 121.88 -159.49 -113.59 133.26 2.17 97.71 0.12 1.75 0.29 0.07 0.06 0.04 0.00 97.57 0.22 84 A E E 13.04 19.90 16.99 36.92 113.62 -125.34 -81.19 132.38 8.09 91.43 0.47 6.97 0.83 0.26 0.18 0.23 0.00 90.97 0.56 85 K E E 107.34 7.30 20.40 28.46 99.93 -160.49 -88.52 -30.36 41.54 56.90 1.55 11.83 19.37 11.40 0.12 1.44 0.00 55.26 0.57 86 S C E 59.40 3.79 22.29 26.32 136.20 2.98 -147.71 153.72 59.64 38.35 2.01 17.64 27.80 13.60 0.13 1.95 0.00 38.26 0.62 87 Y C C 79.36 19.03 10.96 28.38 129.93 -165.53 -134.10 147.54 55.97 41.23 2.80 44.86 8.31 2.31 0.42 2.43 0.00 40.67 1.02 88 N E E 87.49 4.46 18.54 23.97 125.91 -165.95 -124.01 145.77 38.19 61.05 0.76 23.69 13.49 2.03 0.14 0.57 0.00 59.36 0.71 89 R E E 138.00 6.87 14.22 22.66 117.39 -118.20 -93.53 132.92 12.38 87.26 0.36 10.40 1.67 0.38 0.09 0.22 0.00 86.81 0.43 90 V E E 49.61 10.25 11.39 23.27 127.17 -171.82 -122.71 146.30 5.24 94.64 0.12 4.79 0.34 0.08 0.04 0.05 0.00 94.49 0.21 91 T E E 90.15 3.52 13.90 18.98 115.14 -129.00 -98.53 127.24 5.90 93.99 0.11 5.39 0.38 0.09 0.04 0.05 0.00 93.65 0.40 92 V E E 60.09 9.75 8.74 19.60 120.06 -168.64 -108.67 135.30 32.19 67.26 0.55 27.87 2.93 0.90 0.13 0.37 0.00 67.17 0.62 93 M C T 125.65 3.38 9.86 14.80 109.53 -43.42 -80.39 109.17 55.80 38.81 5.40 6.37 10.20 42.67 0.45 4.69 0.01 34.19 1.43 94 G C T 67.93 0.45 11.14 10.49 95.23 -1.70 63.54 19.95 94.81 0.83 4.37 2.63 8.29 83.37 0.22 4.71 0.00 0.60 0.18 95 G C T 62.75 1.20 10.87 12.49 97.69 -54.34 82.82 4.51 93.88 1.61 4.51 7.47 24.38 61.66 0.22 4.75 0.00 1.21 0.32 96 F E E 99.76 5.89 9.11 17.20 117.47 126.96 -95.06 134.72 36.70 63.13 0.16 31.80 3.25 0.76 0.04 0.13 0.00 63.06 0.97 97 K E E 123.53 4.48 14.44 20.72 116.76 -144.51 -99.23 129.91 7.45 92.52 0.02 6.98 0.34 0.04 0.01 0.01 0.00 92.23 0.40 98 V E E 39.69 14.10 12.58 27.63 121.26 -165.48 -114.00 132.68 4.33 95.61 0.05 4.12 0.21 0.04 0.02 0.03 0.00 95.28 0.30 99 E E E 88.78 8.53 19.36 28.52 121.08 -148.70 -98.75 135.83 13.35 86.33 0.32 12.04 1.18 0.29 0.12 0.19 0.00 85.26 0.92 100 N C C 40.03 15.27 16.24 31.68 114.09 -154.60 -100.74 130.20 58.36 37.52 4.11 49.88 5.63 2.06 0.98 3.16 0.00 37.11 1.19 101 H C G 57.99 15.73 16.57 31.92 97.44 -139.52 -76.22 -6.13 48.89 9.08 42.03 17.46 10.39 22.29 3.50 37.73 0.01 7.83 0.78 102 T C G 72.39 8.95 19.78 29.22 95.91 80.83 -76.17 -16.74 51.18 8.74 40.08 10.16 11.58 30.80 3.35 35.74 0.03 7.41 0.95 103 A C G 52.96 8.46 20.65 29.55 104.43 57.67 -96.55 28.43 46.26 14.83 38.91 16.83 11.83 20.93 3.53 33.10 0.05 12.18 1.54 104 C C C 15.60 21.50 13.31 34.32 119.42 120.56 -95.60 137.71 64.94 33.04 2.02 48.89 14.24 2.14 0.90 1.28 0.00 27.48 5.06 105 H E E 85.64 9.26 23.73 33.04 119.02 -159.04 -106.81 134.38 40.70 57.81 1.49 33.74 3.92 1.16 1.06 0.65 0.01 42.71 16.74 106 C C C 30.35 19.30 16.15 34.46 110.75 -160.70 -101.32 87.66 54.35 37.11 8.55 41.89 8.18 3.27 7.07 2.32 0.02 31.62 5.64 107 S C C 46.84 9.61 20.63 30.38 102.68 -131.38 -78.97 -22.00 55.60 15.79 28.62 34.98 11.85 9.07 21.01 7.49 0.12 13.01 2.48 108 T C H 43.98 13.17 17.82 30.98 99.28 67.48 -78.32 -18.02 46.27 10.11 43.62 25.23 10.12 12.19 31.46 11.14 0.21 7.58 2.07 109 C H H 36.25 13.48 14.94 28.81 97.90 74.89 -77.00 -17.57 38.04 7.42 54.54 20.52 7.85 10.80 37.85 15.73 0.21 5.22 1.81 110 Y H H 116.91 6.83 16.16 23.98 95.07 76.84 -68.27 -32.49 34.31 6.05 59.64 17.64 7.20 10.69 41.44 17.10 0.20 4.22 1.51 111 Y H H 117.48 6.96 13.96 22.12 95.58 56.65 -74.54 -25.67 38.00 4.88 57.12 18.18 7.48 13.47 39.56 16.42 0.19 3.29 1.41 112 H C H 98.77 8.24 11.21 20.55 100.19 59.57 -85.10 -6.76 48.65 4.54 46.81 24.27 8.85 17.15 33.50 11.71 0.12 2.80 1.60 113 K C C 126.82 4.83 10.20 16.70 103.75 69.70 -87.25 19.75 71.18 2.58 26.24 53.71 2.20 16.10 21.24 4.04 0.00 1.46 1.25 114 S C C 77.69 3.99 12.06 17.61 107.67 96.67 -86.03 87.45 99.78 0.11 0.11 99.50 0.17 0.17 0.07 0.01 0.00 0.06 0.02