# 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 63.49 7.39 16.82 25.19 123.02 86.30 -124.09 143.31 99.65 0.35 0.00 99.64 0.07 0.01 0.00 0.00 0.00 0.26 0.01 1 Y E E 95.48 12.90 12.78 25.88 124.47 -165.29 -122.41 141.06 44.58 55.25 0.18 42.92 0.89 0.26 0.05 0.09 0.00 54.06 1.73 2 E E E 113.79 5.44 17.03 23.91 119.86 -155.93 -108.42 131.44 24.36 75.44 0.21 22.21 1.67 0.28 0.08 0.13 0.00 74.17 1.45 3 L E E 48.64 17.37 11.72 28.51 116.96 -148.79 -97.11 131.19 23.22 76.59 0.19 21.50 1.33 0.22 0.08 0.12 0.00 74.51 2.25 4 T E E 69.30 7.94 18.60 27.33 116.83 -166.39 -108.70 133.33 40.49 59.36 0.15 32.98 6.61 0.48 0.05 0.13 0.00 56.99 2.76 5 Q C C 81.69 12.08 15.47 27.91 121.90 -143.06 -109.50 136.48 72.92 27.04 0.04 47.51 25.43 0.39 0.01 0.04 0.00 25.47 1.16 6 P C C 59.06 10.34 16.33 27.44 116.27 -89.88 -68.59 153.57 95.54 4.42 0.03 81.56 13.23 0.50 0.00 0.03 0.00 4.44 0.22 7 P C C 70.48 10.62 16.27 27.32 100.97 -106.88 -67.52 -1.86 94.09 5.84 0.07 64.13 28.39 1.19 0.01 0.09 0.00 5.93 0.27 8 S E E 58.60 9.43 18.80 28.85 132.81 -1.02 -134.53 150.06 26.33 73.61 0.07 22.60 3.06 0.25 0.01 0.07 0.00 73.34 0.67 9 V E E 28.95 18.24 15.37 33.58 129.97 -170.95 -134.35 142.40 2.76 97.24 0.00 2.60 0.13 0.00 0.00 0.00 0.00 97.15 0.11 10 S E E 60.66 8.06 23.20 32.16 122.94 -150.89 -110.87 137.76 1.07 98.93 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.92 0.03 11 V E E 15.56 21.18 14.56 35.55 131.09 -175.83 -135.91 146.31 2.43 97.57 0.00 2.47 0.06 0.00 0.00 0.00 0.00 96.85 0.61 12 A C C 43.60 6.48 22.62 29.45 118.93 -117.27 -78.02 153.18 89.85 10.13 0.02 89.87 0.52 0.06 0.00 0.01 0.00 9.10 0.43 13 P C T 61.33 13.39 14.54 28.19 110.00 -82.91 -59.29 136.00 99.50 0.29 0.21 0.15 1.86 97.67 0.00 0.14 0.00 0.14 0.05 14 G C T 51.11 3.33 19.21 23.28 94.89 20.68 85.89 -4.95 99.66 0.17 0.17 0.23 2.03 97.52 0.00 0.12 0.00 0.09 0.01 15 K C C 95.76 6.60 18.98 26.81 129.05 103.01 -110.22 156.23 90.92 8.99 0.09 65.04 25.78 0.31 0.02 0.09 0.00 8.05 0.71 16 T C C 67.19 11.17 18.54 30.12 124.62 -130.19 -108.97 145.35 56.68 43.31 0.00 57.50 0.34 0.01 0.00 0.00 0.00 41.69 0.46 17 A E E 9.46 22.02 16.07 38.05 128.33 -161.98 -125.41 144.31 0.54 99.46 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.41 0.04 18 R E E 119.74 7.93 24.84 33.66 121.52 -151.20 -116.07 132.64 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 19 I E E 5.99 25.56 16.82 43.05 121.32 -168.21 -116.80 129.75 2.08 97.92 0.00 1.94 0.06 0.00 0.00 0.00 0.00 97.97 0.03 20 T E E 57.16 8.29 26.95 35.98 119.77 -155.53 -104.19 135.76 15.42 84.57 0.02 14.16 0.63 0.05 0.00 0.01 0.00 84.86 0.29 21 C E E 7.22 25.56 15.23 40.82 119.29 -169.09 -110.77 137.45 39.77 60.16 0.06 37.19 1.67 0.18 0.02 0.05 0.00 59.45 1.44 22 G C C 27.24 9.73 23.96 33.69 133.20 153.06 -132.83 -164.86 57.71 42.10 0.19 47.48 8.81 0.98 0.06 0.17 0.00 39.50 2.99 23 G C C 33.64 9.21 19.56 29.42 133.38 56.69 121.77 -170.91 72.72 26.44 0.84 37.20 32.12 4.95 0.15 0.86 0.00 21.26 3.47 24 N C S 91.90 6.84 20.47 27.95 118.35 -54.75 -105.29 140.49 82.40 16.54 1.06 36.61 38.39 8.27 0.14 1.11 0.00 13.12 2.36 25 N C C 82.14 10.69 18.80 29.52 102.51 -109.18 -80.90 71.40 88.36 10.31 1.33 67.71 13.08 7.11 0.22 1.43 0.00 7.92 2.52 26 L C C 48.78 17.51 15.01 31.77 102.32 171.81 -82.77 4.85 87.49 10.35 2.17 55.70 13.26 18.48 0.42 2.02 0.00 7.25 2.87 27 G C C 39.90 7.75 20.31 28.34 103.40 -109.38 85.93 2.98 89.23 9.01 1.75 36.74 29.34 23.82 0.21 1.83 0.00 6.11 1.95 28 T C C 56.43 12.15 16.95 29.30 119.69 102.43 -99.17 141.87 87.88 10.42 1.70 52.40 28.59 7.09 0.27 1.74 0.00 7.32 2.59 29 K C S 112.39 9.48 19.73 29.38 100.30 -148.04 -88.09 -11.88 87.07 12.34 0.59 32.40 50.99 3.85 0.07 0.53 0.00 11.20 0.96 30 S E E 32.51 11.92 23.08 35.32 125.30 48.26 -119.39 142.58 46.74 52.79 0.47 35.43 9.25 1.64 0.06 0.46 0.00 52.46 0.71 31 V E E 3.96 25.72 18.00 44.31 125.49 -163.28 -121.70 137.81 7.61 92.37 0.02 7.01 0.44 0.03 0.00 0.01 0.00 92.24 0.27 32 H E E 38.82 14.60 27.55 42.24 126.36 -166.28 -118.99 142.17 1.28 98.71 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.71 0.03 33 W E E 8.10 24.80 21.62 46.47 124.69 -156.80 -114.00 138.74 0.71 99.29 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.30 0.01 34 Y E E 28.27 16.31 24.29 40.61 131.73 -174.28 -129.76 150.73 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 35 Q E E 33.72 16.17 20.72 36.97 125.57 -157.39 -119.72 141.46 1.54 98.46 0.00 1.31 0.09 0.00 0.00 0.00 0.00 98.56 0.04 36 Q E E 59.33 12.77 16.28 29.79 117.85 -140.06 -100.54 132.45 22.00 77.99 0.01 20.36 1.06 0.03 0.00 0.01 0.00 77.60 0.95 37 K C C 94.37 6.98 14.74 23.14 119.43 -140.15 -89.25 147.96 97.38 2.60 0.02 96.24 1.28 0.12 0.00 0.01 0.00 1.99 0.35 38 P C T 106.66 3.31 11.42 16.73 109.53 -85.32 -58.89 134.24 99.67 0.07 0.27 0.19 2.37 97.14 0.00 0.24 0.00 0.04 0.01 39 G C T 69.53 0.24 12.71 10.14 95.10 18.44 83.39 -2.67 99.67 0.05 0.28 0.25 2.29 97.12 0.00 0.29 0.00 0.03 0.01 40 Q C S 86.37 5.94 9.27 17.23 128.98 97.84 -112.22 159.53 93.62 5.96 0.42 38.69 52.88 2.04 0.07 0.38 0.00 2.09 3.84 41 A C C 77.65 1.97 16.87 18.67 117.16 -97.41 -68.54 150.75 96.95 3.03 0.02 83.86 13.13 0.16 0.00 0.02 0.00 2.52 0.31 42 P C C 57.71 14.96 12.19 26.94 114.93 -96.30 -65.16 143.80 89.80 10.19 0.01 87.49 2.17 0.06 0.00 0.01 0.00 10.03 0.25 43 V E E 51.81 11.02 18.81 30.91 123.38 -158.85 -121.21 134.30 2.65 97.34 0.00 2.44 0.15 0.01 0.00 0.00 0.00 97.00 0.41 44 N E E 62.97 13.89 19.57 33.26 110.77 -118.78 -75.21 126.34 0.77 99.22 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.19 0.02 45 V E E 13.72 20.54 20.17 40.70 101.99 176.19 -97.67 -31.99 4.08 95.91 0.01 2.97 0.95 0.03 0.00 0.00 0.00 96.03 0.02 46 I E E 12.60 21.03 20.46 41.53 134.00 9.62 -144.80 141.66 0.76 99.24 0.00 0.64 0.05 0.00 0.00 0.00 0.00 99.27 0.03 47 Y E E 57.28 15.19 21.97 36.94 126.79 -171.77 -128.32 137.19 3.64 96.32 0.03 3.29 0.18 0.02 0.01 0.01 0.00 96.18 0.30 48 Y E E 56.70 15.42 18.13 33.61 116.83 -167.60 -113.17 121.99 43.43 56.01 0.56 30.62 11.22 2.67 0.12 0.45 0.00 53.86 1.06 49 D C C 68.32 9.56 17.90 27.77 107.14 32.42 -102.75 73.78 78.33 19.88 1.79 31.82 29.64 18.21 0.23 1.67 0.01 16.60 1.82 50 S C S 66.39 7.41 15.95 24.02 106.38 31.31 -96.20 -8.28 95.09 2.93 1.97 15.53 43.67 35.99 0.18 1.96 0.00 1.94 0.73 51 D C S 104.76 3.34 17.08 21.32 106.57 46.47 -93.50 48.01 93.85 4.43 1.72 22.83 45.60 25.52 0.19 1.74 0.00 2.73 1.38 52 R C C 103.48 12.01 12.75 24.99 117.83 -48.90 -96.80 133.82 88.81 10.76 0.44 53.20 34.76 1.59 0.13 0.35 0.00 6.16 3.81 53 P C C 52.46 11.93 12.35 25.10 112.97 -110.87 -68.06 146.97 90.27 7.68 2.05 78.26 5.07 6.36 0.38 1.98 0.00 5.24 2.71 54 S C T 87.29 2.73 15.29 19.26 110.49 -99.69 -71.31 137.73 95.23 2.63 2.14 11.15 13.15 70.53 0.22 2.29 0.00 1.80 0.86 55 G C T 56.74 2.47 17.39 20.17 97.93 22.34 84.46 -1.78 95.97 2.37 1.66 12.71 15.10 67.87 0.14 1.86 0.00 1.81 0.50 56 I C C 31.57 20.37 9.01 28.03 116.64 122.17 -86.78 132.40 93.31 6.28 0.40 59.71 33.41 0.60 0.14 0.25 0.00 2.77 3.11 57 P C C 52.45 7.57 16.38 25.62 113.92 -106.94 -66.06 150.19 93.56 4.25 2.18 89.38 2.66 1.59 0.39 1.71 0.00 2.63 1.64 58 E C T 143.02 3.44 16.91 21.91 92.50 -111.65 -61.33 -29.60 62.89 2.20 34.91 6.66 15.33 39.66 0.98 35.40 0.00 1.56 0.41 59 R C T 113.63 9.37 18.06 27.87 92.20 60.97 -76.02 -10.54 59.20 5.04 35.76 4.83 15.44 38.68 0.97 35.28 0.01 4.37 0.43 60 F E E 24.97 22.11 13.91 35.27 107.24 66.19 -105.02 57.55 20.29 54.91 24.80 11.92 6.00 5.23 1.86 21.46 0.03 52.39 1.12 61 S E E 47.88 9.63 22.31 32.54 131.62 127.11 -120.21 152.44 14.95 84.75 0.30 12.61 2.29 0.33 0.14 0.17 0.00 82.92 1.53 62 G E E 20.60 18.87 15.44 33.11 141.20 175.53 -152.81 164.37 8.10 91.83 0.06 7.01 0.84 0.12 0.02 0.03 0.00 91.69 0.28 63 S E E 59.15 5.36 22.89 29.58 134.96 -157.59 -143.80 154.74 7.38 92.57 0.05 6.33 0.80 0.11 0.01 0.03 0.00 92.51 0.22 64 K E E 87.76 16.76 12.94 28.71 125.56 -160.63 -130.36 136.27 15.03 84.85 0.12 11.88 2.74 0.49 0.02 0.10 0.00 84.08 0.69 65 S E E 73.44 3.02 19.50 22.81 114.28 173.09 -127.58 107.07 37.02 62.72 0.26 30.02 5.96 1.42 0.06 0.25 0.00 60.62 1.67 66 G C T 47.06 4.05 18.64 23.14 109.19 -58.24 62.55 -125.53 99.08 0.61 0.31 1.17 34.91 63.10 0.01 0.29 0.00 0.44 0.06 67 N C T 63.35 14.42 15.35 29.86 96.97 -9.81 -100.70 7.19 99.23 0.53 0.23 1.04 35.30 62.98 0.00 0.23 0.00 0.40 0.04 68 T E E 42.12 10.59 21.90 33.88 124.90 83.46 -115.33 138.00 15.77 84.21 0.01 12.69 2.86 0.13 0.00 0.02 0.00 83.27 1.03 69 A E E 3.05 24.80 17.05 42.59 127.63 -171.13 -125.77 140.05 2.95 97.05 0.00 2.81 0.06 0.00 0.00 0.00 0.00 97.06 0.07 70 T E E 31.79 10.41 27.61 39.32 120.07 -157.96 -114.32 130.18 1.35 98.65 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.79 0.01 71 L E E 2.35 26.71 19.17 46.95 119.38 -165.63 -113.97 128.17 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 72 T E E 38.33 9.93 27.52 38.46 118.37 -163.81 -114.25 127.31 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 I E E 6.18 24.82 17.28 42.73 117.31 -166.58 -113.78 121.55 2.54 97.45 0.00 2.62 0.02 0.00 0.00 0.00 0.00 97.01 0.34 74 S C C 42.18 8.07 23.66 31.91 126.54 -173.75 -113.78 157.48 78.58 21.38 0.03 44.08 30.52 2.21 0.00 0.05 0.00 22.90 0.23 75 R C S 148.58 3.45 23.91 27.65 94.15 10.11 58.55 46.65 95.01 4.97 0.02 11.46 79.53 3.50 0.00 0.03 0.00 5.34 0.14 76 V C C 11.26 24.84 10.32 34.67 117.68 -151.52 -82.35 138.54 94.58 5.40 0.01 95.25 0.57 0.02 0.01 0.00 0.00 2.58 1.57 77 E C C 99.95 3.81 24.50 28.19 129.30 -165.36 -119.36 157.07 96.33 3.60 0.06 95.95 0.45 0.04 0.03 0.01 0.00 0.80 2.72 78 A C T 60.33 11.55 15.40 27.10 108.41 -87.78 -59.95 135.46 99.57 0.17 0.26 0.17 1.68 97.82 0.00 0.21 0.00 0.06 0.06 79 G C T 47.93 3.65 20.43 24.33 96.50 26.93 88.93 -4.05 99.68 0.08 0.24 0.37 1.58 97.54 0.00 0.45 0.00 0.04 0.01 80 D C C 33.69 16.03 14.73 31.17 114.96 131.22 -71.04 140.73 98.57 1.38 0.05 96.98 1.62 0.08 0.00 0.03 0.00 1.15 0.14 81 E E E 97.08 9.11 22.68 32.16 119.81 -148.38 -100.21 137.31 41.16 58.74 0.10 40.93 1.23 0.12 0.05 0.05 0.00 48.88 8.73 82 A E E 11.46 19.15 19.09 38.03 142.16 147.53 -149.61 171.77 17.90 82.07 0.02 15.30 1.79 0.12 0.00 0.02 0.00 82.20 0.57 83 D E E 46.04 10.82 25.74 37.28 117.42 -107.81 -95.18 134.33 3.01 96.99 0.00 2.78 0.16 0.01 0.00 0.00 0.00 96.99 0.06 84 Y E E 5.55 26.14 18.80 45.37 126.10 -169.07 -118.33 141.55 0.92 99.08 0.00 0.84 0.05 0.00 0.00 0.00 0.00 99.07 0.04 85 Y E E 39.03 14.79 27.99 43.10 131.03 -172.39 -129.96 147.20 1.12 98.87 0.00 0.98 0.06 0.00 0.00 0.00 0.00 98.90 0.05 86 C E E 2.00 26.58 21.29 48.38 125.34 -161.48 -121.28 138.39 2.19 97.80 0.00 1.85 0.14 0.01 0.00 0.00 0.00 97.97 0.03 87 Q E E 28.28 15.19 27.64 42.98 127.01 -170.85 -120.94 140.68 1.06 98.94 0.00 0.93 0.04 0.00 0.00 0.00 0.00 99.02 0.01 88 V E E 6.23 23.78 20.87 44.70 123.35 -162.86 -117.52 134.29 1.22 98.78 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.84 0.04 89 W E E 55.77 12.43 22.39 35.63 122.95 -163.70 -115.33 137.27 5.13 94.86 0.01 4.48 0.37 0.03 0.00 0.01 0.00 94.74 0.38 90 D C E 27.07 13.79 15.34 30.42 115.64 -145.73 -95.04 134.60 50.51 49.38 0.11 44.43 3.88 0.47 0.01 0.10 0.00 50.53 0.57 91 S C T 68.70 6.72 15.01 23.15 94.97 -132.17 -72.89 -17.37 94.25 3.73 2.02 10.46 34.59 49.08 0.11 2.20 0.00 3.11 0.44 92 S C T 82.31 2.00 14.25 16.47 98.13 58.80 -83.95 -13.96 96.27 1.38 2.36 8.90 36.34 50.80 0.13 2.58 0.00 0.89 0.36 93 R C S 131.21 5.52 12.11 18.84 106.68 28.90 -104.33 19.53 94.73 2.53 2.74 15.70 48.36 30.50 0.18 2.95 0.00 1.61 0.70 94 D C S 112.41 3.14 14.86 19.08 99.31 -126.99 -67.98 28.43 94.90 3.95 1.16 18.41 48.49 28.10 0.07 1.28 0.00 3.16 0.48 95 Q C C 79.47 8.43 15.77 25.41 122.66 107.19 -111.45 138.91 68.08 31.61 0.31 47.61 18.46 1.77 0.05 0.32 0.00 30.50 1.30 96 C E E 42.00 15.68 16.38 31.86 120.45 -141.88 -97.76 140.46 32.54 67.42 0.03 30.60 1.12 0.10 0.01 0.02 0.00 67.68 0.48 97 V E E 35.40 15.20 20.17 35.69 120.99 -157.05 -115.04 131.01 2.72 97.27 0.01 2.48 0.16 0.01 0.00 0.01 0.00 95.89 1.45 98 F E E 64.93 16.67 19.90 35.77 118.63 -148.50 -98.64 134.11 9.08 90.87 0.05 7.69 1.04 0.18 0.01 0.03 0.00 90.23 0.82 99 G C C 16.05 17.95 18.32 35.24 117.26 -136.87 -84.57 152.31 68.64 30.98 0.37 41.59 21.66 4.66 0.04 0.39 0.00 30.92 0.74 100 I C S 92.46 8.47 22.88 31.15 100.34 -70.94 -85.05 -1.29 75.08 24.18 0.74 22.28 39.84 13.51 0.08 0.72 0.00 22.16 1.40 101 G C C 18.67 14.42 20.67 34.58 115.44 -98.23 92.14 167.67 74.96 24.63 0.41 40.69 24.91 8.55 0.04 0.46 0.00 24.62 0.73 102 T E E 13.62 22.58 17.19 39.18 120.65 -101.23 -102.08 137.24 32.88 67.07 0.05 29.93 1.67 0.16 0.01 0.04 0.00 67.62 0.57 103 K E E 94.32 8.66 26.08 35.08 118.30 -148.33 -105.92 129.03 2.98 97.01 0.01 2.72 0.17 0.02 0.00 0.01 0.00 96.93 0.16 104 V E E 8.94 25.03 15.71 41.03 121.39 -166.24 -113.91 132.40 1.58 98.41 0.00 1.51 0.07 0.01 0.00 0.00 0.00 98.37 0.04 105 T E E 51.88 7.55 24.76 32.81 121.35 -163.69 -114.48 133.55 1.70 98.30 0.00 1.70 0.04 0.00 0.00 0.00 0.00 98.12 0.13 106 V E E 32.91 19.01 13.41 32.17 115.00 -145.49 -94.80 126.30 9.90 90.08 0.02 10.13 0.18 0.02 0.01 0.01 0.00 88.76 0.88 107 L C C 77.51 8.76 18.51 27.86 110.45 -154.31 -88.95 121.06 99.50 0.50 0.00 99.54 0.05 0.01 0.00 0.00 0.00 0.39 0.01