# 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 101.12 3.90 18.81 23.41 108.08 -140.77 -88.17 105.58 99.77 0.22 0.00 99.76 0.05 0.01 0.00 0.00 0.00 0.16 0.01 1 V C C 45.05 18.12 10.25 27.19 120.16 -160.98 -105.02 131.59 54.73 44.99 0.28 53.52 0.60 0.33 0.07 0.13 0.00 44.13 1.21 2 Q E E 103.87 4.30 20.20 25.28 120.10 -164.98 -112.82 134.71 26.09 73.40 0.50 23.10 2.23 0.60 0.19 0.31 0.00 71.92 1.65 3 L E E 53.27 19.25 11.78 29.86 121.28 -155.96 -109.58 134.61 25.14 74.26 0.61 23.12 1.58 0.42 0.22 0.33 0.00 73.22 1.09 4 Q E E 91.62 6.53 19.98 27.51 125.36 -169.35 -121.56 141.23 29.63 69.57 0.81 25.30 3.52 0.88 0.24 0.51 0.00 68.15 1.40 5 E E E 99.02 11.97 15.68 27.80 117.41 -124.63 -93.50 135.29 47.23 51.96 0.81 38.72 6.55 1.47 0.19 0.62 0.00 50.97 1.48 6 S C C 53.83 11.03 16.10 27.38 111.34 -155.26 -96.85 100.60 73.18 26.45 0.38 57.71 12.46 1.84 0.07 0.36 0.00 26.32 1.23 7 G C C 30.32 6.79 19.06 26.57 135.43 -88.60 129.27 -177.51 78.97 20.95 0.08 47.72 30.36 0.95 0.01 0.09 0.00 20.09 0.77 8 P C C 77.78 8.50 17.24 26.46 115.30 -44.44 -69.28 147.59 77.34 22.59 0.07 59.63 15.28 0.81 0.01 0.09 0.00 23.63 0.56 9 G E E 24.31 12.23 18.66 30.87 134.92 160.30 -159.90 169.78 14.66 85.30 0.04 11.72 2.94 0.22 0.01 0.04 0.00 84.27 0.82 10 L E E 83.77 9.85 21.69 31.67 120.27 -77.38 -105.61 132.94 3.29 96.71 0.01 2.99 0.26 0.01 0.00 0.00 0.00 96.36 0.38 11 V E E 15.01 21.25 14.54 35.65 126.69 -171.46 -123.51 139.45 5.69 94.31 0.01 5.57 0.24 0.01 0.00 0.00 0.00 91.96 2.21 12 K C C 107.06 4.63 23.75 28.47 119.84 -132.57 -90.77 149.51 91.78 8.21 0.01 91.36 0.82 0.04 0.00 0.01 0.00 7.16 0.61 13 P C T 49.35 15.14 13.98 29.09 110.26 -87.91 -60.68 140.70 99.41 0.28 0.31 0.27 2.75 96.54 0.01 0.24 0.00 0.17 0.04 14 S C T 77.37 4.51 19.90 25.32 94.08 15.93 75.58 3.84 99.43 0.27 0.30 0.39 2.93 96.21 0.01 0.26 0.00 0.18 0.02 15 Q C C 76.00 8.42 17.34 26.91 126.69 114.53 -100.37 156.37 91.78 8.03 0.19 65.38 25.93 0.54 0.02 0.20 0.00 7.33 0.60 16 S C C 58.92 9.72 18.73 29.27 125.49 -135.11 -110.37 145.94 52.62 47.36 0.01 52.46 0.51 0.03 0.00 0.01 0.00 46.44 0.55 17 L E E 16.21 21.52 15.44 36.87 126.90 -166.26 -125.14 141.94 1.22 98.78 0.00 1.25 0.02 0.00 0.00 0.00 0.00 98.61 0.11 18 S E E 55.50 8.36 24.06 33.07 123.04 -156.73 -114.65 135.79 0.57 99.43 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 19 L E E 8.53 24.36 16.08 40.63 123.65 -170.21 -120.51 135.01 3.62 96.37 0.00 3.47 0.12 0.01 0.00 0.00 0.00 96.34 0.06 20 T E E 62.30 7.62 25.84 33.99 122.14 -161.23 -113.17 135.67 16.23 83.76 0.01 15.00 0.51 0.03 0.00 0.01 0.00 84.34 0.11 21 C E E 6.63 24.42 15.16 39.69 130.14 -173.74 -131.41 149.05 21.88 78.08 0.04 20.66 0.64 0.04 0.01 0.02 0.00 78.42 0.21 22 S E E 48.65 7.21 26.26 34.04 123.94 -159.38 -119.12 138.05 8.28 91.66 0.06 7.80 0.51 0.06 0.03 0.03 0.00 90.05 1.54 23 V E E 12.15 23.85 13.82 37.53 120.48 -164.54 -116.78 126.69 15.29 84.60 0.11 14.30 0.84 0.11 0.06 0.06 0.00 80.92 3.72 24 T C E 75.63 5.78 21.26 27.66 119.59 -171.09 -110.63 140.23 56.01 43.53 0.45 36.12 17.01 3.88 0.07 0.46 0.00 41.37 1.09 25 G C S 46.87 4.67 19.71 24.94 101.66 17.31 85.53 -3.69 80.48 18.82 0.71 15.10 54.82 9.56 0.06 0.66 0.00 18.84 0.97 26 Y C C 77.76 14.91 14.59 29.19 123.83 91.24 -108.37 144.90 74.68 23.62 1.70 46.73 22.70 5.74 0.28 1.62 0.00 20.79 2.14 27 S C C 60.49 7.22 21.96 29.70 122.17 -153.43 -113.57 139.10 73.71 24.56 1.72 62.11 7.42 3.34 0.42 1.46 0.00 21.27 3.98 28 I C C 24.14 22.35 11.98 33.69 116.08 -147.72 -101.32 125.25 72.13 25.89 1.98 59.69 7.97 3.47 0.62 1.52 0.00 19.85 6.88 29 T C C 88.24 4.27 21.10 25.66 102.92 -172.65 -100.80 -5.50 85.72 12.63 1.64 54.15 23.76 8.05 0.33 1.48 0.00 10.14 2.09 30 S C S 45.65 8.61 17.65 27.14 129.19 48.09 -124.28 163.74 88.74 9.06 2.20 20.88 51.81 16.44 0.34 1.75 0.00 7.57 1.22 31 A C S 56.18 8.80 19.41 28.59 98.30 -108.91 -81.00 11.37 85.80 13.01 1.19 24.13 49.44 11.66 0.12 1.09 0.00 12.73 0.83 32 Y E E 39.96 17.93 16.73 34.53 125.10 109.74 -108.83 145.40 47.55 52.05 0.39 36.39 9.07 1.47 0.05 0.37 0.00 52.00 0.65 33 Y E E 59.92 13.43 24.66 38.10 129.93 -159.55 -124.79 145.19 9.49 90.49 0.03 8.59 0.59 0.05 0.00 0.02 0.00 90.51 0.24 34 W E E 8.40 24.88 19.88 44.89 126.75 -159.45 -120.16 140.86 1.20 98.80 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.83 0.03 35 N E E 27.79 15.72 27.22 42.69 131.46 -173.11 -132.41 146.76 0.48 99.52 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.55 0.01 36 W E E 8.10 24.41 21.45 45.98 125.65 -153.38 -118.19 139.38 0.52 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.00 37 I E E 18.70 16.41 24.49 41.15 127.28 -167.84 -123.86 140.05 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 38 R E E 34.00 18.14 20.61 38.45 122.69 -160.77 -114.25 136.61 0.98 99.01 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.07 0.02 39 Q E E 61.28 11.18 19.42 31.43 115.75 -150.48 -105.11 123.84 8.13 91.86 0.01 7.38 0.41 0.03 0.00 0.01 0.00 91.82 0.36 40 F C C 49.81 12.27 13.06 26.73 119.53 -147.59 -88.74 149.31 93.10 6.81 0.09 90.80 1.80 0.37 0.01 0.07 0.00 6.46 0.48 41 P C T 87.61 5.82 12.83 20.14 109.26 -82.08 -60.07 135.80 97.54 0.41 2.05 1.38 5.79 89.95 0.06 2.46 0.00 0.27 0.09 42 G C T 66.04 0.55 13.27 12.14 98.05 16.27 82.83 -4.39 97.42 0.14 2.44 1.17 5.34 90.43 0.07 2.86 0.00 0.09 0.04 43 K C S 126.31 5.19 10.80 17.62 112.69 76.91 -108.50 124.58 95.25 2.07 2.69 28.17 59.02 7.95 0.27 2.62 0.00 1.19 0.78 44 K C C 139.95 2.07 16.67 19.02 118.88 -99.55 -89.36 145.44 90.22 9.61 0.18 81.00 8.38 0.60 0.04 0.15 0.00 8.87 0.96 45 L E E 52.94 18.34 10.70 28.01 115.74 -113.81 -82.22 136.12 32.05 67.92 0.02 31.00 0.65 0.04 0.00 0.02 0.00 68.03 0.27 46 E E E 79.26 8.26 21.06 30.08 125.24 -166.77 -120.82 138.04 1.82 98.17 0.00 1.57 0.12 0.01 0.00 0.00 0.00 98.26 0.04 47 W E E 102.32 14.75 18.63 33.08 110.88 -115.19 -74.03 128.42 0.45 99.54 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 48 M E E 19.27 19.08 20.30 39.67 101.09 176.37 -100.81 -26.47 2.80 97.19 0.01 1.90 0.64 0.06 0.00 0.01 0.00 97.38 0.01 49 G E E 3.70 16.86 23.42 41.01 145.38 -44.13 165.96 173.58 1.33 98.66 0.01 0.93 0.19 0.03 0.00 0.00 0.00 98.83 0.01 50 Y E E 47.66 16.98 24.66 41.18 132.72 -108.11 -138.18 148.62 1.45 98.55 0.01 1.25 0.08 0.01 0.00 0.00 0.00 98.61 0.05 51 L E E 8.99 22.61 19.95 42.74 119.87 -150.80 -113.14 127.77 5.18 94.77 0.05 4.25 0.71 0.08 0.01 0.02 0.00 94.69 0.22 52 L E E 44.35 11.68 23.09 35.27 123.52 -164.77 -112.48 138.73 18.62 81.12 0.26 14.82 2.89 0.72 0.07 0.19 0.00 80.71 0.60 53 Y C E 67.15 17.33 15.31 31.84 101.99 -154.24 -88.28 -6.02 49.58 47.78 2.65 16.09 16.74 20.38 0.41 2.23 0.02 42.04 2.08 54 D C T 98.59 4.06 18.42 22.99 98.70 49.46 -90.04 12.34 88.86 8.67 2.48 8.78 23.19 56.86 0.23 2.45 0.00 7.61 0.87 55 G C T 45.22 5.97 15.57 22.53 102.12 -79.44 87.24 0.67 92.43 5.45 2.12 13.12 33.21 46.09 0.15 2.19 0.00 4.60 0.64 56 S C C 61.61 6.82 15.97 23.92 119.40 112.16 -95.25 144.03 64.44 34.60 0.96 44.22 16.09 4.84 0.21 0.96 0.00 29.51 4.17 57 T C C 73.05 11.75 14.67 26.71 118.87 -162.80 -112.90 135.90 56.67 42.26 1.07 39.73 13.19 4.52 0.24 1.03 0.00 37.80 3.49 58 G C C 31.48 8.06 20.51 29.17 134.49 162.20 -137.32 166.70 60.23 38.93 0.84 40.02 16.72 4.41 0.17 0.82 0.00 35.23 2.62 59 Y C C 83.11 17.36 15.14 31.40 124.00 -123.50 -108.27 143.52 56.54 42.91 0.56 45.27 9.23 0.98 0.36 0.34 0.00 26.11 17.71 60 N C C 33.50 15.23 13.76 29.64 109.49 -115.33 -80.85 120.67 98.72 1.21 0.07 96.82 2.03 0.13 0.03 0.02 0.00 0.72 0.26 61 P H G 95.76 3.48 16.95 21.58 91.68 -140.11 -61.40 -28.45 38.87 0.19 60.95 1.79 2.79 33.29 7.31 54.62 0.00 0.11 0.08 62 S H G 64.29 5.72 17.33 24.25 90.66 64.20 -69.26 -20.10 38.00 0.12 61.88 0.78 2.06 35.48 6.98 54.57 0.00 0.07 0.06 63 L H G 10.69 22.01 10.97 32.98 97.72 44.04 -99.73 0.12 35.38 0.32 64.30 2.22 3.23 28.66 7.31 58.25 0.00 0.19 0.12 64 K C T 111.83 10.97 15.10 26.83 95.35 105.78 -59.86 -32.42 58.11 0.99 40.89 3.07 3.15 52.96 9.14 30.48 0.03 0.59 0.57 65 N C T 132.93 1.06 20.27 19.80 93.86 42.99 -72.48 -5.26 68.34 0.30 31.36 1.09 2.76 66.43 3.88 25.48 0.00 0.19 0.16 66 R C T 75.57 13.97 16.88 30.78 99.88 53.99 -100.94 -13.12 73.65 1.20 25.15 3.38 8.13 62.02 2.51 22.66 0.00 1.02 0.26 67 I E E 5.92 25.48 12.50 38.30 128.36 53.91 -125.03 141.84 9.13 90.73 0.14 7.34 1.96 0.13 0.08 0.06 0.00 89.17 1.26 68 S E E 46.69 7.04 26.72 34.30 130.21 -174.47 -129.14 146.18 2.96 97.01 0.03 2.74 0.14 0.02 0.01 0.01 0.00 96.99 0.09 69 I E E 23.46 23.79 14.75 38.09 123.79 -159.20 -121.25 131.91 3.80 96.17 0.03 3.62 0.10 0.01 0.01 0.01 0.00 96.18 0.06 70 T E E 60.91 6.58 24.99 31.90 126.93 -172.95 -124.54 140.57 4.39 95.59 0.02 3.94 0.25 0.02 0.00 0.01 0.00 95.70 0.08 71 R E E 81.16 18.17 13.57 30.78 122.52 -158.88 -116.12 132.48 4.13 95.83 0.04 3.59 0.42 0.05 0.01 0.02 0.00 95.51 0.40 72 D E E 57.49 6.44 17.20 25.30 109.22 -159.83 -108.35 107.02 24.80 75.13 0.07 23.72 0.83 0.10 0.02 0.05 0.00 74.27 1.00 73 T C T 78.88 8.91 12.16 22.71 93.68 -169.38 -68.93 -25.36 88.71 0.98 10.31 2.57 9.11 75.04 0.24 12.09 0.00 0.74 0.21 74 S C T 93.98 0.79 15.38 14.82 93.29 57.00 -70.73 -32.78 88.27 0.97 10.76 1.56 9.38 75.50 0.23 12.43 0.00 0.65 0.25 75 K C T 113.39 3.86 15.69 20.26 97.85 34.33 -96.83 -1.92 89.50 0.34 10.17 3.20 16.03 67.96 0.21 12.27 0.00 0.21 0.12 76 N C T 57.30 13.42 15.06 29.28 95.10 -128.59 56.79 42.99 99.27 0.42 0.32 10.22 11.33 77.71 0.03 0.31 0.00 0.35 0.05 77 Q E E 46.24 11.50 21.74 34.16 133.45 128.70 -131.75 151.56 15.10 84.87 0.02 12.76 1.75 0.14 0.00 0.03 0.00 83.29 2.03 78 F E E 8.68 23.77 18.44 42.52 125.74 -157.05 -120.26 140.74 2.71 97.29 0.00 2.55 0.11 0.01 0.00 0.00 0.00 97.23 0.10 79 F E E 42.02 13.14 26.29 39.93 123.86 -161.22 -118.34 135.45 1.90 98.10 0.00 1.60 0.08 0.00 0.00 0.00 0.00 98.30 0.01 80 L E E 3.50 25.80 19.33 45.92 118.50 -155.35 -109.17 128.76 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 81 K E E 75.08 10.16 27.13 37.68 117.39 -160.53 -109.47 124.82 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 82 L E E 7.30 24.60 15.85 40.94 117.52 -166.58 -109.75 127.38 8.51 91.49 0.00 8.89 0.06 0.00 0.00 0.00 0.00 90.26 0.78 83 N C C 75.62 6.77 23.06 30.02 113.80 -161.88 -96.07 138.78 94.80 5.17 0.03 48.35 42.01 3.56 0.00 0.05 0.00 5.83 0.19 84 S C S 58.71 5.31 24.53 30.05 106.38 8.69 57.52 89.69 98.87 1.11 0.02 11.19 84.73 3.03 0.00 0.02 0.00 0.91 0.12 85 V C C 12.36 24.71 11.60 36.26 114.29 -143.96 -80.59 131.91 99.10 0.89 0.01 98.17 1.13 0.01 0.00 0.00 0.00 0.28 0.41 86 T C C 51.25 5.54 24.57 30.05 134.16 172.64 -130.81 164.62 99.79 0.20 0.01 99.50 0.32 0.01 0.00 0.00 0.00 0.04 0.12 87 P H G 71.90 12.42 15.88 28.52 90.78 -100.29 -60.01 -30.41 5.92 0.04 94.03 0.46 0.47 3.72 0.40 94.91 0.00 0.03 0.00 88 E H G 128.66 3.17 21.68 25.49 89.94 62.68 -70.25 -17.15 5.37 0.08 94.55 0.32 0.44 3.63 0.33 95.22 0.00 0.06 0.00 89 D H G 10.20 22.18 15.49 38.06 93.39 62.55 -84.62 -2.28 6.46 0.12 93.42 1.44 0.83 2.35 0.43 94.86 0.00 0.10 0.00 90 T C C 39.99 16.21 20.67 36.65 115.25 109.36 -74.65 135.31 94.32 5.53 0.15 91.74 2.69 0.12 0.02 0.10 0.00 5.09 0.23 91 A E E 16.44 15.23 23.07 38.48 145.47 128.03 -160.49 172.45 4.25 95.74 0.01 4.09 0.20 0.01 0.00 0.00 0.00 95.04 0.65 92 T E E 38.78 13.24 25.19 38.66 119.25 -88.76 -99.69 136.72 0.91 99.09 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.07 0.03 93 Y E E 7.41 25.11 19.68 44.95 125.61 -167.03 -117.86 141.35 1.02 98.98 0.00 0.87 0.07 0.00 0.00 0.00 0.00 99.02 0.03 94 Y E E 34.47 16.73 27.54 43.90 128.52 -166.15 -123.32 145.25 3.10 96.86 0.04 2.72 0.23 0.03 0.01 0.02 0.00 96.80 0.19 95 C E E 2.96 25.22 22.15 47.49 125.10 -159.18 -117.11 140.25 9.90 89.89 0.21 8.55 0.86 0.17 0.06 0.13 0.00 89.78 0.46 96 S E E 11.27 17.10 24.52 41.62 131.18 -170.17 -126.84 151.06 11.09 88.51 0.40 9.60 1.06 0.28 0.13 0.22 0.00 87.71 1.00 97 R E E 54.03 16.14 19.71 35.59 123.74 -150.01 -114.14 139.46 19.44 79.81 0.75 14.78 4.53 1.40 0.21 0.54 0.00 76.86 1.68 98 E E E 91.86 9.68 17.49 27.62 115.63 -134.66 -98.85 129.72 47.30 51.48 1.22 26.11 15.51 7.92 0.15 1.13 0.00 48.06 1.11 99 G C C 36.05 6.84 13.35 21.52 129.53 141.93 -152.07 164.67 80.11 17.86 2.03 30.71 29.04 20.86 0.20 2.06 0.00 15.83 1.31 100 N C S 129.81 1.70 13.42 15.52 99.74 -57.40 -72.83 -25.22 94.08 2.19 3.73 16.98 39.91 37.24 0.34 3.54 0.00 1.40 0.59 101 N C S 125.02 2.21 13.40 16.15 101.54 3.82 -93.24 1.54 92.34 3.95 3.71 13.68 44.78 34.35 0.34 3.30 0.00 2.75 0.80 102 R C C 111.97 8.17 13.94 23.26 123.15 65.91 -117.10 138.91 66.44 31.61 1.95 39.19 19.72 8.71 0.30 1.82 0.00 28.11 2.14 103 S C E 40.00 13.88 15.46 29.56 121.85 -154.96 -108.44 139.49 52.01 47.39 0.60 43.11 6.10 1.64 0.10 0.50 0.00 47.55 0.99 104 Y E E 73.15 13.88 20.81 34.55 129.26 -164.60 -127.45 142.60 16.50 83.19 0.31 13.96 1.87 0.46 0.14 0.18 0.00 79.16 4.22 105 W E E 58.13 19.01 19.09 37.09 119.32 -142.28 -103.70 137.76 23.25 76.41 0.34 19.22 3.16 1.02 0.15 0.23 0.00 72.42 3.79 106 G C C 13.46 17.92 18.95 35.95 121.25 -135.48 -80.49 -174.55 72.36 27.29 0.34 46.51 19.85 5.31 0.04 0.37 0.00 26.96 0.97 107 Q C C 107.42 6.87 23.79 30.97 99.58 -73.07 -76.70 -2.04 79.22 20.45 0.33 54.27 20.82 3.28 0.04 0.37 0.00 20.46 0.76 108 G C C 14.87 18.60 19.04 36.14 125.68 -113.96 79.95 167.99 69.28 30.57 0.15 59.45 6.65 0.95 0.01 0.15 0.00 32.30 0.49 109 T E E 17.14 19.87 19.86 39.44 125.92 -107.53 -115.15 141.44 9.11 90.88 0.02 8.45 0.41 0.02 0.00 0.01 0.00 90.79 0.31 110 T E E 59.60 10.08 25.49 35.72 117.84 -137.44 -102.81 132.44 1.09 98.91 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.96 0.03 111 L E E 6.06 25.14 16.17 41.90 121.94 -165.87 -114.65 132.15 0.53 99.47 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 112 I E E 69.89 7.47 25.98 33.98 119.25 -158.20 -109.96 130.70 0.85 99.15 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.11 0.03 113 V E E 15.88 22.53 12.96 35.19 117.51 -153.05 -101.57 130.99 7.36 92.61 0.03 6.95 0.33 0.03 0.01 0.01 0.00 92.29 0.37 114 S E E 51.58 6.63 18.04 25.46 126.43 -165.14 -111.74 159.36 48.18 51.75 0.06 46.78 0.86 0.16 0.02 0.04 0.00 50.98 1.16 115 S C C 78.02 5.28 16.18 22.67 107.68 -99.09 -72.85 127.15 99.70 0.30 0.01 99.58 0.17 0.04 0.00 0.00 0.00 0.19 0.01