# 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 Q C C 108.03 5.63 20.25 26.62 115.88 -150.12 -96.14 126.28 99.36 0.64 0.00 99.37 0.07 0.01 0.00 0.00 0.00 0.53 0.01 1 V E E 34.07 20.14 11.33 30.42 120.95 -160.14 -107.54 132.91 49.67 50.23 0.10 48.95 0.42 0.20 0.02 0.06 0.00 49.61 0.75 2 Q E E 94.21 5.20 22.20 28.01 121.57 -165.88 -115.79 135.39 15.57 84.20 0.23 13.26 1.56 0.56 0.04 0.19 0.00 83.80 0.59 3 L E E 43.06 20.26 12.88 32.22 121.35 -154.70 -110.00 131.92 10.81 88.95 0.24 9.75 0.80 0.25 0.07 0.15 0.00 88.04 0.94 4 Q E E 87.87 7.18 20.36 28.36 122.38 -169.65 -118.97 138.20 22.07 77.61 0.32 18.51 2.97 0.58 0.08 0.21 0.00 76.62 1.02 5 Q C E 82.68 13.06 14.76 27.74 119.80 -139.00 -105.85 133.98 54.07 45.49 0.44 42.15 9.50 1.38 0.08 0.38 0.00 45.72 0.80 6 S C C 62.36 8.65 16.97 26.21 110.15 -158.29 -92.26 120.32 74.88 24.44 0.68 43.61 22.36 7.83 0.07 0.71 0.00 24.76 0.67 7 G C C 32.15 7.83 18.57 26.97 125.43 -71.88 119.72 -175.84 69.03 30.44 0.53 33.06 28.82 7.41 0.04 0.60 0.00 29.27 0.81 8 A C E 46.61 14.67 15.74 29.94 123.13 -64.10 -105.57 144.53 51.47 48.29 0.24 43.80 5.50 0.73 0.03 0.22 0.00 49.17 0.55 9 E E E 68.92 12.81 19.77 32.60 128.10 -167.99 -126.90 141.56 11.15 88.78 0.06 9.57 1.34 0.12 0.01 0.05 0.00 88.47 0.44 10 L E E 82.29 11.42 21.34 32.65 116.71 -133.23 -97.94 129.16 3.55 96.43 0.02 3.21 0.25 0.02 0.00 0.01 0.00 96.33 0.18 11 M E E 21.25 19.76 15.26 34.84 132.56 -169.87 -132.88 149.97 6.50 93.49 0.01 6.39 0.29 0.01 0.01 0.01 0.00 91.28 2.02 12 K C C 105.96 4.98 23.47 28.54 120.13 -120.08 -83.87 149.47 93.57 6.41 0.02 92.89 0.87 0.06 0.00 0.01 0.00 5.76 0.40 13 P C T 60.78 13.78 14.24 28.23 110.17 -85.72 -59.12 137.08 99.45 0.37 0.18 0.20 2.09 97.32 0.00 0.12 0.00 0.22 0.04 14 G C T 47.71 3.81 20.00 24.58 95.78 23.07 88.31 -6.14 99.61 0.24 0.15 0.33 2.31 97.06 0.00 0.10 0.00 0.17 0.01 15 A C C 33.31 11.22 15.88 28.43 122.46 125.18 -78.71 156.30 93.94 6.00 0.07 81.60 12.17 0.24 0.01 0.07 0.00 5.36 0.56 16 A E E 56.90 9.28 20.52 30.37 124.38 -131.90 -107.34 142.88 47.34 52.64 0.02 46.80 0.70 0.04 0.00 0.01 0.00 51.57 0.87 17 V E E 11.96 22.73 15.38 38.09 127.53 -168.24 -128.69 140.10 2.19 97.81 0.00 2.12 0.04 0.00 0.00 0.00 0.00 97.76 0.07 18 K E E 104.76 7.12 25.04 32.89 117.43 -146.24 -105.74 128.28 0.61 99.39 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 19 I E E 5.22 25.64 16.21 42.54 122.14 -168.83 -116.95 133.30 1.76 98.24 0.00 1.69 0.04 0.00 0.00 0.00 0.00 98.21 0.05 20 S E E 36.66 9.62 26.72 36.90 126.23 -167.72 -118.43 143.79 11.36 88.63 0.01 10.70 0.31 0.01 0.00 0.00 0.00 88.89 0.08 21 C E E 5.18 25.24 16.44 42.01 132.29 -175.77 -136.65 146.30 14.92 85.07 0.02 14.17 0.50 0.03 0.00 0.01 0.00 85.14 0.14 22 K E E 92.84 7.38 27.22 35.39 121.61 -160.49 -118.98 133.22 4.22 95.75 0.03 3.97 0.22 0.03 0.01 0.01 0.00 94.99 0.77 23 A E E 6.70 24.66 14.27 38.86 120.86 -165.88 -114.43 130.48 17.54 82.33 0.12 17.02 0.63 0.11 0.05 0.07 0.00 79.89 2.23 24 T C C 70.03 6.84 21.98 29.37 122.81 -167.70 -120.46 141.24 65.90 33.71 0.38 42.00 19.73 4.90 0.05 0.45 0.00 31.65 1.23 25 G C S 50.26 3.19 21.26 24.73 98.41 14.27 81.87 -3.05 91.30 8.22 0.48 9.68 69.97 11.30 0.03 0.48 0.00 7.94 0.60 26 H C C 48.97 18.21 13.30 30.65 123.12 98.68 -106.19 144.77 91.12 8.14 0.74 44.37 39.75 7.39 0.08 0.85 0.00 6.21 1.34 27 T C C 70.96 7.00 23.10 30.40 113.34 -139.39 -107.31 99.81 90.19 9.23 0.59 74.21 11.64 4.13 0.09 0.67 0.00 6.93 2.33 28 I C C 19.80 22.39 13.75 35.52 117.89 -154.55 -104.01 130.85 79.96 19.31 0.72 71.34 6.21 1.75 0.16 0.70 0.00 13.80 6.04 29 S C S 60.41 6.29 22.30 28.90 101.65 -162.25 -97.29 -26.55 82.45 17.02 0.54 24.48 45.47 12.62 0.05 0.62 0.00 15.42 1.33 30 R C E 110.65 7.32 23.39 31.06 125.89 14.74 -137.37 128.99 65.80 33.71 0.50 23.26 31.00 11.76 0.04 0.59 0.00 32.15 1.19 31 Y E E 19.05 23.35 16.97 39.72 133.21 158.23 -134.04 148.99 42.58 57.33 0.08 37.57 3.75 0.23 0.01 0.08 0.00 57.76 0.61 32 W E E 45.96 14.09 27.04 41.43 129.09 -161.06 -126.06 144.37 8.33 91.66 0.01 7.96 0.30 0.01 0.00 0.00 0.00 91.47 0.24 33 I E E 2.31 26.92 21.09 48.76 122.53 -159.61 -117.64 131.15 1.09 98.91 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.92 0.02 34 D E E 23.98 16.07 28.17 44.04 126.56 -171.47 -121.26 142.53 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 35 W E E 6.89 25.00 22.06 47.15 122.74 -155.76 -110.83 138.64 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 36 L E E 15.09 17.95 24.50 42.32 130.75 -171.31 -128.82 146.44 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 37 K E E 44.50 16.17 22.18 37.99 122.44 -156.90 -112.76 135.82 0.60 99.40 0.00 0.50 0.03 0.00 0.00 0.00 0.00 99.46 0.01 38 Q E E 54.14 13.77 17.47 31.74 116.83 -146.31 -104.73 129.11 4.29 95.71 0.01 3.80 0.25 0.01 0.00 0.00 0.00 95.72 0.21 39 R C C 86.22 9.06 15.00 25.47 117.88 -144.50 -91.32 142.31 64.29 35.61 0.10 62.17 1.50 0.19 0.02 0.07 0.00 35.35 0.70 40 P C T 96.05 4.85 12.33 19.07 109.66 -90.29 -58.50 136.21 95.34 0.29 4.37 0.36 2.88 91.51 0.05 4.98 0.00 0.16 0.05 41 G C T 69.24 0.31 13.15 10.98 95.41 14.80 82.36 -3.33 95.39 0.08 4.53 0.37 2.67 91.62 0.06 5.22 0.00 0.05 0.02 42 H C T 115.91 4.62 11.85 18.02 105.57 73.00 -108.11 -5.40 89.37 3.88 6.75 7.65 21.98 58.72 0.21 8.09 0.00 2.58 0.76 43 G C C 30.52 4.75 16.99 23.08 126.29 -123.49 89.14 -167.54 57.14 42.73 0.12 44.47 11.09 1.45 0.02 0.14 0.00 41.68 1.16 44 L E E 54.96 16.53 13.21 29.41 116.09 -23.68 -78.60 137.35 23.82 76.16 0.02 21.23 1.10 0.08 0.00 0.02 0.00 77.45 0.13 45 E E E 79.54 9.02 21.51 31.12 126.61 -170.34 -124.70 139.79 1.64 98.36 0.00 1.37 0.10 0.01 0.00 0.00 0.00 98.50 0.02 46 W E E 98.77 15.14 19.01 33.77 110.91 -113.93 -72.61 128.07 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.01 47 I E E 14.50 20.10 20.29 40.76 100.93 176.99 -101.52 -25.77 2.37 97.62 0.01 1.69 0.46 0.06 0.00 0.00 0.00 97.76 0.02 48 G E E 3.24 17.41 22.93 41.04 144.89 -44.29 165.82 174.22 2.60 97.39 0.01 1.72 0.53 0.06 0.00 0.00 0.00 97.66 0.02 49 E E E 53.42 13.80 25.66 39.58 132.12 -102.30 -135.65 148.00 2.50 97.49 0.01 2.19 0.16 0.01 0.00 0.00 0.00 97.57 0.06 50 I E E 9.51 23.00 17.68 41.18 116.63 -142.82 -108.50 125.58 4.21 95.77 0.02 3.83 0.30 0.02 0.01 0.01 0.00 93.59 2.25 51 L C C 50.73 9.26 22.66 32.83 112.80 -150.47 -97.95 122.34 70.58 29.35 0.07 67.33 2.29 0.17 0.01 0.05 0.00 29.09 1.06 52 P C T 51.45 15.50 14.05 29.25 109.66 -111.91 -62.15 137.81 94.78 1.51 3.72 3.17 7.78 83.10 0.14 4.33 0.00 1.23 0.26 53 G C T 60.80 1.89 17.09 19.10 96.72 18.78 81.04 -3.96 95.39 0.69 3.92 2.11 7.73 84.75 0.15 4.58 0.00 0.48 0.19 54 S C T 65.13 4.82 14.74 20.59 104.58 74.09 -102.71 -9.29 89.62 2.95 7.43 17.34 30.41 40.78 0.39 8.42 0.00 1.70 0.96 55 G C S 44.79 7.20 14.30 22.67 98.51 -120.23 84.58 3.82 92.86 5.81 1.33 35.29 36.09 21.73 0.14 1.37 0.00 4.45 0.93 56 S C C 59.25 5.24 18.33 24.56 120.72 121.52 -86.17 151.27 73.55 25.83 0.62 52.90 18.05 2.70 0.11 0.65 0.00 23.12 2.46 57 T E E 49.03 18.57 12.57 30.09 124.37 -154.01 -119.04 139.61 39.23 60.19 0.57 33.10 4.25 0.93 0.21 0.46 0.00 54.04 7.01 58 N E E 79.63 6.52 23.14 30.07 122.61 -171.87 -125.88 135.02 35.32 64.16 0.52 28.45 6.41 1.16 0.19 0.41 0.00 59.29 4.10 59 Y E C 73.84 19.22 13.79 31.73 122.73 -154.01 -101.53 141.24 48.12 51.40 0.48 41.26 4.74 0.58 0.27 0.33 0.00 40.69 12.14 60 N C C 39.21 13.02 14.24 28.24 113.15 -136.33 -86.78 137.91 94.69 5.09 0.22 92.63 2.20 0.32 0.08 0.11 0.00 3.54 1.13 61 E H G 146.59 2.16 16.44 19.64 91.64 -127.78 -61.84 -31.31 48.37 0.27 51.36 1.46 4.28 41.54 2.64 49.79 0.00 0.15 0.13 62 K H G 122.73 4.77 17.51 23.39 90.72 62.92 -68.22 -23.63 47.57 0.15 52.28 0.61 2.54 44.26 2.32 50.12 0.00 0.08 0.07 63 F H G 12.14 22.35 10.45 32.79 98.33 43.48 -101.18 -1.40 48.87 0.51 50.62 2.10 4.30 41.45 2.79 48.84 0.00 0.29 0.24 64 K C T 115.56 8.60 15.13 25.54 111.03 121.78 -62.45 130.46 86.92 2.16 10.91 8.63 5.98 72.59 3.22 7.05 0.01 1.13 1.39 65 G C T 59.62 1.64 19.09 20.24 94.87 16.50 80.86 -4.55 88.54 0.97 10.49 2.02 7.00 80.19 1.23 8.54 0.00 0.65 0.37 66 K C T 99.05 9.22 18.79 28.35 100.07 71.65 -101.35 -8.65 87.44 3.42 9.14 17.04 16.00 54.16 1.17 8.26 0.00 2.76 0.60 67 A C E 7.18 24.39 11.61 35.50 129.52 70.11 -118.55 148.40 50.43 49.16 0.41 44.22 4.98 0.46 0.10 0.28 0.00 47.60 2.36 68 T E E 66.08 6.39 26.28 33.44 128.62 -168.78 -129.77 142.39 5.98 93.96 0.06 5.55 0.40 0.05 0.03 0.03 0.00 93.28 0.67 69 F E E 26.71 23.97 14.85 38.29 125.74 -162.77 -123.09 136.65 3.98 95.98 0.04 3.67 0.24 0.03 0.01 0.02 0.00 95.86 0.17 70 T E E 64.87 6.19 26.58 33.30 125.13 -171.87 -126.95 137.39 6.84 93.08 0.08 5.93 0.65 0.09 0.02 0.04 0.00 93.04 0.23 71 A E E 19.74 22.69 12.65 34.41 124.35 -166.78 -119.83 137.77 14.69 84.97 0.34 12.56 1.95 0.37 0.10 0.21 0.00 83.90 0.90 72 E E E 87.56 6.10 21.23 27.71 110.02 -147.17 -98.92 113.61 39.50 60.08 0.42 36.16 2.40 0.54 0.14 0.29 0.00 57.73 2.73 73 K C T 104.74 12.04 13.63 26.37 93.55 -157.22 -65.53 -28.66 84.77 1.20 14.03 3.71 9.25 70.16 0.51 15.21 0.00 0.88 0.28 74 S C T 87.45 1.64 18.50 19.65 93.17 56.27 -77.52 -19.02 84.33 0.73 14.94 2.39 8.47 71.57 0.51 16.36 0.00 0.47 0.22 75 S C T 46.05 8.53 16.64 25.99 104.70 42.30 -101.93 2.31 84.27 0.81 14.92 7.69 20.40 53.81 0.50 16.82 0.00 0.49 0.30 76 N C T 57.59 15.42 17.23 32.37 96.13 -132.97 60.42 26.62 97.89 1.39 0.72 18.21 23.33 56.31 0.08 0.69 0.00 1.18 0.20 77 T E E 32.99 12.03 23.32 36.42 126.78 125.64 -114.04 145.06 29.53 70.38 0.09 24.44 4.64 0.42 0.02 0.08 0.00 68.32 2.08 78 A E E 2.59 25.57 19.05 45.20 124.94 -164.27 -120.73 138.00 6.04 93.95 0.01 5.60 0.28 0.03 0.00 0.01 0.00 93.86 0.23 79 Y E E 50.43 13.81 27.71 41.86 124.82 -163.33 -120.01 138.03 2.45 97.55 0.00 2.06 0.13 0.01 0.00 0.00 0.00 97.77 0.03 80 M E E 2.79 26.50 20.35 47.62 121.64 -164.96 -114.98 131.74 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 81 Q E E 57.56 11.38 27.70 39.59 119.18 -161.15 -111.50 127.84 0.22 99.77 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.02 82 L E E 6.09 25.00 16.93 42.52 117.31 -165.85 -112.47 124.51 9.52 90.47 0.00 9.74 0.09 0.00 0.00 0.00 0.00 89.53 0.63 83 S C C 47.32 7.93 23.16 31.22 120.49 -167.52 -101.70 157.67 92.02 7.85 0.13 41.35 38.73 10.67 0.01 0.20 0.00 8.75 0.29 84 S C S 68.28 4.60 24.47 29.09 99.49 10.45 58.94 57.60 98.10 1.84 0.06 12.42 74.50 11.01 0.00 0.09 0.00 1.82 0.16 85 L C C 11.79 24.99 10.67 35.54 114.16 -150.28 -74.68 132.48 98.48 1.50 0.01 97.49 1.23 0.03 0.00 0.01 0.00 0.59 0.65 86 T C C 54.06 5.23 24.61 29.67 133.84 164.98 -127.26 168.22 97.91 2.06 0.03 97.24 0.63 0.01 0.01 0.01 0.00 0.33 1.77 87 S H G 60.71 12.00 16.32 28.50 90.85 -96.25 -60.55 -30.51 7.06 0.07 92.87 0.62 0.70 4.79 0.91 92.93 0.00 0.05 0.01 88 E H G 125.15 3.83 21.99 26.53 90.77 62.94 -70.71 -19.14 5.93 0.14 93.93 0.46 0.61 4.20 0.84 93.77 0.00 0.11 0.01 89 D H G 12.81 21.60 16.62 38.31 94.87 60.47 -86.73 -2.19 6.90 0.17 92.94 1.85 1.11 2.78 1.19 92.92 0.00 0.13 0.01 90 S C C 25.77 17.41 21.44 38.62 114.85 112.02 -74.67 136.08 93.86 3.63 2.51 88.22 5.20 0.86 0.63 1.72 0.00 2.73 0.64 91 A E E 10.99 19.17 24.31 42.68 144.01 144.96 -160.12 171.18 17.23 81.73 1.04 14.89 1.83 0.51 0.62 0.56 0.00 77.88 3.70 92 V E E 24.27 18.02 26.05 43.64 119.78 -105.05 -105.73 132.15 6.76 92.70 0.54 6.06 0.58 0.21 0.33 0.25 0.00 92.15 0.42 93 Y E E 6.75 25.05 22.80 47.64 123.16 -164.10 -114.45 137.05 5.05 94.23 0.72 4.27 0.58 0.29 0.39 0.31 0.00 93.92 0.24 94 Y E E 25.58 19.55 27.59 46.25 128.02 -168.60 -123.15 143.34 6.65 92.26 1.10 5.44 0.79 0.41 0.51 0.43 0.00 92.10 0.32 95 C E E 3.86 24.74 23.70 48.09 126.04 -165.37 -121.54 138.66 14.95 82.60 2.45 11.95 2.05 1.04 1.08 0.93 0.00 82.28 0.66 96 A E E 11.99 18.21 24.68 42.57 127.07 -169.35 -122.91 142.34 18.67 78.48 2.86 15.07 2.85 1.42 1.28 1.23 0.00 76.94 1.20 97 M E E 40.16 16.95 20.81 37.28 118.51 -161.92 -110.35 135.79 33.36 63.30 3.34 23.66 8.15 4.32 1.21 1.90 0.02 59.15 1.58 98 G C E 24.60 11.59 19.50 31.10 123.20 13.32 137.49 176.48 58.14 37.69 4.17 32.32 17.11 10.25 0.76 2.99 0.01 35.30 1.26 99 V C C 82.31 8.83 15.91 25.25 107.28 -85.92 -90.77 32.37 66.81 25.84 7.35 25.51 23.76 20.20 1.31 5.41 0.05 21.32 2.44 100 R C T 145.23 4.86 14.85 20.84 109.68 36.38 -96.65 102.48 80.45 12.06 7.49 20.95 25.31 35.47 1.06 6.07 0.02 9.11 2.01 101 G C T 45.92 5.02 15.26 21.36 111.55 -1.86 86.63 -114.08 90.25 4.76 4.98 19.10 29.97 41.53 0.57 4.43 0.00 3.49 0.91 102 N C C 92.08 7.86 15.49 24.10 107.56 -4.24 -92.84 68.97 76.87 19.34 3.79 33.64 24.53 19.79 0.55 3.28 0.01 16.32 1.88 103 Y C C 94.76 12.05 16.72 28.97 118.38 100.99 -106.28 133.44 59.41 37.48 3.11 36.84 15.00 9.18 0.67 2.65 0.01 32.65 3.00 104 F E E 55.15 16.76 16.95 33.37 122.24 -161.56 -112.73 136.31 45.26 52.19 2.54 32.50 9.48 5.06 0.75 1.85 0.01 47.55 2.81 105 D E E 51.45 13.28 21.55 34.68 120.22 -155.71 -108.36 132.61 40.83 56.66 2.51 29.02 8.80 4.75 0.68 1.74 0.00 53.27 1.73 106 Y E E 64.46 17.47 19.47 36.10 119.79 -161.47 -109.48 131.01 35.83 61.52 2.66 25.06 7.92 4.70 1.00 1.79 0.01 55.12 4.38 107 W C E 71.16 16.23 19.94 35.38 116.76 -168.84 -109.56 130.90 51.03 44.95 4.03 28.62 12.45 13.16 1.17 2.86 0.04 37.48 4.22 108 G C T 26.36 12.87 20.18 32.33 118.31 -24.67 77.98 -156.00 77.09 18.25 4.66 20.90 26.38 31.00 0.69 3.79 0.02 15.29 1.93 109 Q C T 103.58 8.46 20.79 29.27 100.61 -23.13 -84.23 13.85 80.78 13.61 5.60 15.15 27.38 39.12 0.80 4.49 0.01 11.19 1.85 110 G C C 22.90 13.96 19.47 32.78 119.59 -94.59 99.13 12.95 73.99 23.96 2.06 28.61 24.20 21.83 0.24 1.88 0.00 22.01 1.22 111 T E E 20.08 21.29 17.50 37.91 118.55 -105.63 -104.57 134.65 46.25 53.43 0.32 39.59 4.51 0.86 0.06 0.26 0.00 53.85 0.88 112 T E E 59.06 10.13 25.19 35.41 120.13 -154.38 -110.25 131.99 10.49 89.35 0.16 8.84 1.45 0.29 0.05 0.09 0.00 88.83 0.46 113 L E E 14.14 23.97 16.60 40.44 121.96 -166.68 -116.00 130.14 3.69 96.24 0.07 3.37 0.27 0.06 0.02 0.03 0.00 96.09 0.17 114 T E E 58.97 7.55 25.31 33.29 120.53 -162.01 -112.62 131.72 3.78 96.16 0.06 3.53 0.23 0.05 0.02 0.02 0.00 95.78 0.36 115 V E E 23.56 21.42 13.01 33.82 119.41 -158.74 -106.68 131.46 18.21 81.61 0.18 16.27 1.44 0.30 0.08 0.11 0.00 80.61 1.20 116 S C C 55.27 6.14 17.80 24.77 125.97 -166.08 -109.24 158.48 60.61 39.20 0.19 57.01 1.74 0.47 0.05 0.13 0.00 39.36 1.24 117 S C C 78.04 5.19 15.98 22.47 108.28 -98.01 -74.89 131.84 99.69 0.30 0.01 99.55 0.18 0.04 0.00 0.00 0.00 0.21 0.01