# 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 V C C 36.10 19.14 15.17 33.55 122.42 -163.85 -113.73 131.64 98.35 1.65 0.00 98.46 0.06 0.01 0.00 0.00 0.00 1.45 0.02 1 Q E E 96.15 6.11 21.68 28.56 119.66 -158.69 -110.37 131.97 35.14 64.80 0.06 35.13 0.33 0.11 0.03 0.03 0.00 63.36 1.01 2 L E E 40.30 20.12 12.40 31.80 118.63 -149.44 -100.84 130.63 15.35 84.58 0.07 14.26 0.84 0.11 0.02 0.03 0.00 84.21 0.53 3 V E E 68.12 7.37 21.16 29.33 121.41 -166.32 -116.70 133.31 9.80 90.10 0.09 8.95 0.68 0.11 0.03 0.05 0.00 89.35 0.83 4 Q E E 78.58 15.04 14.28 28.96 116.77 -140.44 -94.48 130.58 24.37 75.32 0.30 21.39 2.29 0.50 0.09 0.20 0.00 74.62 0.92 5 S C C 55.60 9.02 16.77 26.56 109.53 -167.78 -96.23 62.16 63.28 36.17 0.55 45.70 12.87 3.32 0.07 0.56 0.00 36.76 0.72 6 G C C 38.64 5.32 19.44 25.22 122.36 -83.40 113.33 -142.32 73.72 25.85 0.44 36.79 31.59 4.87 0.04 0.50 0.00 25.46 0.75 7 A C C 51.73 13.32 15.28 28.42 119.76 -66.29 -91.73 142.92 63.69 35.97 0.33 52.49 8.54 1.16 0.04 0.32 0.00 36.69 0.76 8 E E E 66.69 13.20 17.78 31.18 124.08 -166.81 -114.13 141.74 26.18 73.67 0.15 22.21 3.73 0.43 0.03 0.12 0.00 72.23 1.26 9 V E E 72.29 11.52 20.05 31.66 121.48 -148.04 -111.67 130.93 15.55 84.41 0.04 14.47 0.96 0.07 0.01 0.03 0.00 83.57 0.90 10 K E E 47.97 16.14 15.72 31.87 131.80 -177.73 -129.88 150.27 18.63 81.34 0.03 18.28 0.61 0.03 0.01 0.01 0.00 74.41 6.63 11 K C C 108.48 4.74 22.19 27.00 119.54 -115.22 -81.59 149.41 96.07 3.91 0.01 95.17 1.12 0.05 0.00 0.01 0.00 3.25 0.40 12 P C T 63.91 13.11 13.27 26.70 110.16 -84.50 -59.15 138.51 99.62 0.24 0.14 0.22 2.10 97.41 0.00 0.09 0.00 0.13 0.04 13 G C T 50.45 3.23 18.61 22.59 95.33 23.29 88.31 -5.99 99.77 0.14 0.10 0.32 2.29 97.22 0.00 0.07 0.00 0.09 0.01 14 E C C 82.70 7.61 16.65 25.64 123.88 117.46 -88.08 156.25 93.97 5.94 0.09 76.69 17.42 0.28 0.01 0.09 0.00 4.61 0.89 15 S C C 59.54 9.19 18.27 28.33 125.03 -128.65 -107.03 147.51 74.45 25.53 0.03 73.72 0.97 0.07 0.00 0.02 0.00 24.36 0.86 16 L E E 16.68 22.03 14.85 36.73 125.32 -160.00 -121.65 139.20 7.97 92.03 0.00 7.73 0.21 0.01 0.00 0.00 0.00 91.72 0.33 17 K E E 111.25 6.63 24.59 32.09 118.91 -149.01 -109.55 128.45 1.58 98.42 0.00 1.54 0.04 0.00 0.00 0.00 0.00 98.33 0.08 18 I E E 6.13 25.56 15.52 41.71 122.59 -169.19 -118.33 132.92 3.91 96.09 0.00 3.81 0.14 0.01 0.00 0.00 0.00 95.87 0.16 19 S E E 41.31 8.49 26.55 35.53 124.71 -160.01 -107.90 144.73 17.40 82.58 0.02 16.51 0.55 0.04 0.00 0.01 0.00 82.67 0.21 20 C E E 9.15 25.32 15.20 40.55 127.78 -171.21 -129.20 139.96 29.79 70.13 0.08 27.81 1.31 0.11 0.02 0.05 0.00 69.99 0.71 21 K E E 106.21 6.52 25.47 32.73 122.98 -164.95 -117.90 137.50 22.56 77.24 0.20 19.33 2.53 0.43 0.08 0.14 0.00 72.32 5.18 22 G E E 17.69 19.38 14.96 33.15 129.74 145.03 -136.54 164.63 47.33 52.17 0.49 37.30 8.61 1.71 0.13 0.48 0.00 48.50 3.28 23 S C C 60.67 8.20 19.79 28.43 111.17 -123.78 -100.49 114.54 70.86 28.03 1.10 47.87 18.13 5.24 0.19 1.14 0.00 25.09 2.34 24 G C S 43.95 6.62 19.31 26.48 103.00 -65.86 91.74 4.59 78.10 19.70 2.21 31.05 36.74 11.73 0.31 2.04 0.01 15.81 2.33 25 Y C C 73.62 15.52 14.72 29.96 120.31 119.70 -94.88 140.12 74.79 22.23 2.98 48.64 19.03 7.73 0.67 2.59 0.01 16.98 4.36 26 S C C 52.35 8.91 19.90 29.48 121.98 -160.17 -114.05 139.06 77.95 18.90 3.16 59.27 12.11 5.89 0.85 2.58 0.00 14.06 5.25 27 F C C 57.14 17.55 13.35 30.48 109.58 -151.29 -94.67 92.70 80.18 12.92 6.90 47.28 17.67 15.77 1.57 5.47 0.01 8.30 3.93 28 T C T 86.54 5.30 18.10 24.17 101.10 122.01 -88.07 -17.43 88.62 4.80 6.58 23.74 30.31 35.07 1.02 5.44 0.00 3.01 1.41 29 S C S 63.74 5.40 18.82 24.61 109.01 34.15 -104.35 -15.57 87.37 6.74 5.89 16.64 38.14 33.47 0.77 4.82 0.01 4.76 1.40 30 Y C C 72.09 13.85 16.74 30.74 122.00 16.26 -115.82 138.28 74.12 23.97 1.91 48.19 19.39 6.66 0.36 1.76 0.00 20.67 2.96 31 Y C C 57.89 16.43 20.33 36.27 116.16 -172.77 -108.57 133.56 58.44 41.34 0.22 47.62 8.52 0.78 0.04 0.19 0.00 41.89 0.96 32 W E E 39.10 17.82 24.99 42.14 127.50 -151.37 -123.75 142.71 13.74 86.24 0.02 12.39 0.92 0.06 0.00 0.01 0.00 86.31 0.29 33 I E E 3.42 25.77 23.52 49.23 124.58 -164.00 -119.63 136.12 1.45 98.55 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.58 0.03 34 G E E 3.02 21.14 27.26 47.92 136.36 -171.76 -136.21 157.93 0.37 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 35 W E E 7.40 24.38 25.06 48.95 127.84 -143.05 -122.75 141.79 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 36 V E E 9.51 20.87 24.60 44.99 129.65 -168.95 -127.15 142.60 0.30 99.70 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.00 37 R E E 45.91 16.34 23.32 39.16 122.92 -158.30 -114.56 135.25 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 38 Q E E 54.37 13.70 18.15 32.34 114.77 -139.81 -95.43 127.33 3.87 96.12 0.01 3.47 0.17 0.01 0.00 0.00 0.00 96.17 0.17 39 M C C 53.22 10.77 14.11 26.41 119.50 -150.63 -92.97 145.08 68.09 31.78 0.13 65.57 1.77 0.24 0.02 0.09 0.00 31.44 0.88 40 P C T 95.78 4.67 12.58 19.09 109.42 -88.59 -58.75 136.37 96.50 0.34 3.16 0.34 3.31 92.59 0.04 3.47 0.00 0.19 0.06 41 G C T 69.81 0.26 12.88 10.43 95.70 14.65 82.19 -3.78 96.62 0.10 3.28 0.36 2.97 92.91 0.04 3.64 0.00 0.05 0.03 42 K C T 129.62 3.34 11.85 16.68 106.74 70.67 -109.20 -3.82 91.24 3.93 4.83 9.79 32.18 48.48 0.17 5.99 0.00 2.65 0.74 43 G C C 32.06 4.23 16.62 22.08 127.51 -117.54 90.95 -166.35 61.13 38.77 0.10 46.58 13.03 1.18 0.02 0.11 0.00 37.86 1.22 44 L E E 56.37 16.06 13.44 29.32 116.35 -27.01 -75.58 138.71 22.22 77.77 0.01 19.93 0.85 0.04 0.00 0.01 0.00 79.05 0.13 45 E E E 71.04 10.52 21.66 32.61 127.32 -169.75 -125.03 141.20 0.93 99.06 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.16 0.02 46 W E E 87.35 16.46 20.22 36.02 111.09 -112.74 -73.48 128.59 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 47 M E E 13.54 20.86 21.78 42.85 100.50 177.35 -101.06 -25.07 4.71 95.28 0.01 3.42 1.01 0.12 0.00 0.01 0.00 95.42 0.02 48 G E E 2.43 19.25 24.44 44.09 144.76 -45.86 164.16 173.74 3.14 96.86 0.01 2.21 0.60 0.08 0.00 0.01 0.00 97.06 0.03 49 I E E 24.04 18.94 25.84 44.18 127.06 -96.56 -125.32 139.79 2.08 97.91 0.01 1.87 0.11 0.01 0.00 0.00 0.00 97.92 0.09 50 V E E 7.54 22.85 20.39 43.42 119.48 -154.74 -113.20 128.03 5.61 94.37 0.02 5.07 0.41 0.02 0.01 0.01 0.00 93.28 1.19 51 Y C C 51.81 12.03 22.46 35.16 114.94 -158.94 -103.60 124.05 66.11 33.85 0.04 61.39 3.69 0.21 0.01 0.04 0.00 33.37 1.30 52 P C T 51.05 14.98 15.08 30.15 93.46 -127.66 -61.63 -24.74 97.32 1.90 0.78 2.85 10.80 83.52 0.04 0.92 0.00 1.67 0.21 53 D C T 116.26 1.72 18.27 19.38 95.86 50.39 -88.35 -1.51 98.70 0.54 0.76 1.92 11.16 85.42 0.03 0.96 0.00 0.40 0.11 54 D C C 52.06 11.81 10.53 23.04 114.58 82.51 -105.48 119.08 86.27 12.21 1.52 58.22 23.27 4.77 0.22 1.77 0.00 7.92 3.84 55 S C S 86.08 3.46 14.41 19.73 96.29 -162.42 -84.93 -11.79 85.56 12.31 2.13 19.83 39.69 26.82 0.19 2.16 0.00 9.88 1.43 56 D C S 101.27 3.02 18.12 21.56 101.38 69.89 -93.34 27.45 84.07 14.47 1.46 26.45 33.35 24.57 0.11 1.56 0.00 12.85 1.11 57 T C C 35.69 19.77 10.08 28.34 115.40 131.58 -81.86 136.14 79.28 20.24 0.48 72.59 4.78 0.82 0.07 0.45 0.00 20.46 0.83 58 R E E 128.97 4.36 23.26 28.53 127.75 -172.76 -129.21 143.12 26.74 73.05 0.22 23.54 2.37 0.29 0.09 0.14 0.00 65.26 8.31 59 Y E E 77.96 18.95 13.77 31.54 119.32 -127.86 -85.80 139.79 22.85 77.08 0.07 20.72 1.10 0.05 0.07 0.02 0.00 56.76 21.28 60 S C C 22.46 14.05 13.24 28.35 115.06 -112.54 -72.61 147.34 98.73 1.26 0.01 98.52 0.50 0.02 0.00 0.00 0.00 0.84 0.11 61 P H G 109.93 1.84 17.14 19.30 91.11 -114.70 -59.55 -31.75 28.31 0.13 71.56 0.74 1.74 23.69 0.86 72.87 0.00 0.08 0.02 62 S H G 64.48 6.33 16.40 24.00 90.37 62.28 -69.03 -19.59 27.33 0.07 72.60 0.28 1.10 25.21 0.73 72.62 0.00 0.04 0.01 63 F H G 14.19 21.90 10.60 32.54 97.48 43.72 -102.70 -0.67 28.97 0.40 70.63 1.40 2.62 22.96 1.06 71.61 0.00 0.26 0.08 64 Q C T 108.34 7.21 15.05 24.57 109.96 122.75 -60.34 129.55 94.86 1.66 3.48 3.20 3.83 88.34 0.85 2.04 0.00 0.76 0.99 65 G C T 58.02 2.11 18.52 20.55 94.26 14.48 82.10 -3.02 95.56 0.72 3.72 1.09 5.91 89.01 0.36 2.91 0.00 0.54 0.18 66 Q C T 79.04 10.65 18.00 29.02 99.82 78.51 -101.97 -9.41 91.75 5.07 3.18 27.43 24.16 39.89 0.35 3.12 0.00 4.50 0.56 67 V E E 9.77 24.30 12.10 36.21 127.65 60.08 -124.61 141.32 28.59 71.33 0.08 24.89 3.07 0.25 0.02 0.07 0.00 69.73 1.96 68 T E E 66.56 6.42 26.22 33.30 125.54 -167.72 -122.14 138.97 3.54 96.45 0.01 3.41 0.17 0.02 0.01 0.00 0.00 95.99 0.40 69 I E E 21.11 24.44 14.65 38.81 124.00 -164.99 -122.97 132.92 4.35 95.62 0.03 4.07 0.26 0.04 0.01 0.01 0.00 95.15 0.46 70 S E E 53.58 5.95 26.41 32.91 128.67 -174.88 -131.18 145.18 22.78 77.07 0.15 19.55 2.69 0.34 0.04 0.11 0.00 76.41 0.87 71 A C C 25.03 22.41 12.52 33.69 132.10 -173.72 -136.35 147.78 67.45 32.18 0.37 56.41 9.45 0.89 0.09 0.32 0.00 31.19 1.64 72 D C C 68.11 6.26 20.90 27.55 118.62 -152.79 -111.66 143.25 89.68 9.82 0.49 82.88 5.50 1.35 0.13 0.39 0.00 7.32 2.42 73 K C T 125.63 9.13 14.61 24.93 92.61 -116.24 -66.32 -20.46 95.92 0.81 3.27 3.01 17.02 75.76 0.38 3.00 0.00 0.52 0.30 74 S C T 78.85 2.66 19.50 22.10 93.82 57.41 -86.05 -11.02 95.81 0.73 3.46 3.30 16.24 76.02 0.38 3.32 0.00 0.48 0.27 75 I C S 40.50 15.96 13.75 29.93 120.72 70.23 -110.74 132.47 90.29 6.50 3.21 38.13 41.16 10.79 0.60 2.68 0.00 3.07 3.56 76 S C S 50.96 11.57 20.40 32.14 99.66 -161.48 -99.45 -4.32 95.56 4.01 0.43 19.53 68.70 7.37 0.05 0.41 0.00 3.36 0.58 77 T C E 40.42 11.33 23.42 35.64 131.66 56.17 -130.92 146.02 57.54 42.06 0.40 35.95 20.52 2.86 0.08 0.43 0.00 37.23 2.93 78 A E E 3.05 25.24 18.02 43.79 128.98 -170.88 -131.03 142.38 28.19 71.73 0.08 26.03 1.70 0.16 0.02 0.07 0.00 70.78 1.25 79 Y E E 58.29 12.61 27.50 40.66 122.62 -157.33 -117.85 133.94 7.80 92.19 0.01 7.20 0.31 0.02 0.00 0.00 0.00 92.23 0.22 80 L E E 2.97 26.26 20.08 47.06 119.95 -159.87 -111.97 129.53 1.21 98.78 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.81 0.02 81 Q E E 59.60 11.29 27.24 38.86 121.02 -166.26 -116.00 130.52 0.39 99.61 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.56 0.03 82 W E E 14.95 23.85 16.50 40.48 120.44 -166.94 -114.95 131.42 10.50 89.49 0.01 10.82 0.11 0.01 0.00 0.00 0.00 88.28 0.78 83 S C S 47.95 7.47 22.62 30.40 123.64 -163.65 -106.34 155.67 92.65 7.26 0.09 41.15 44.40 6.27 0.00 0.14 0.00 7.74 0.30 84 S C S 66.88 4.58 23.96 28.51 97.27 8.82 56.72 54.67 98.02 1.94 0.04 9.81 82.77 5.32 0.00 0.05 0.00 1.90 0.15 85 L C C 18.10 24.03 10.90 34.46 114.51 -157.68 -73.18 135.97 97.81 2.19 0.01 96.97 1.20 0.02 0.00 0.00 0.00 1.20 0.60 86 K C C 94.35 4.59 24.48 29.15 131.55 -172.82 -122.98 161.06 92.99 6.97 0.04 92.07 0.53 0.02 0.01 0.01 0.00 1.14 6.22 87 A H G 52.72 13.98 15.66 29.50 91.20 -100.54 -59.81 -31.82 4.46 0.04 95.50 0.26 0.33 2.76 0.24 96.37 0.00 0.03 0.00 88 S H G 69.84 5.04 21.76 27.61 90.13 63.24 -72.39 -14.11 3.67 0.05 96.28 0.16 0.25 2.36 0.21 96.98 0.00 0.04 0.00 89 D H G 15.19 20.99 17.13 38.27 94.26 67.62 -85.79 1.55 5.32 0.08 94.60 1.08 0.67 1.84 0.32 96.03 0.00 0.06 0.00 90 T C C 35.60 16.70 21.74 38.21 115.83 107.11 -81.61 135.30 91.37 7.97 0.66 86.54 4.98 0.30 0.07 0.58 0.00 6.90 0.63 91 A E E 11.41 19.13 23.66 42.03 144.05 133.68 -157.98 171.99 10.40 89.56 0.04 9.78 0.72 0.06 0.01 0.02 0.00 88.55 0.85 92 M E E 38.01 16.33 26.04 42.03 119.45 -100.70 -103.14 134.22 1.61 98.38 0.01 1.58 0.08 0.01 0.00 0.00 0.00 98.25 0.07 93 Y E E 6.74 25.23 21.75 46.98 123.36 -162.19 -115.36 137.53 1.12 98.87 0.01 1.05 0.08 0.01 0.00 0.00 0.00 98.81 0.04 94 Y E E 25.74 19.06 27.68 45.88 129.94 -170.51 -126.14 145.30 2.70 97.27 0.03 2.32 0.22 0.03 0.01 0.01 0.00 97.34 0.07 95 C E E 3.72 24.68 23.39 47.97 124.83 -158.69 -117.51 139.03 11.47 88.33 0.20 9.48 1.45 0.20 0.05 0.09 0.00 88.48 0.25 96 V E E 12.36 18.70 24.75 43.29 126.81 -163.38 -119.76 143.26 14.30 85.33 0.37 12.36 1.67 0.35 0.14 0.18 0.00 84.51 0.79 97 R E E 50.54 16.81 20.99 37.45 122.51 -150.83 -111.99 136.27 22.90 76.74 0.36 19.12 3.68 0.58 0.17 0.23 0.00 72.83 3.40 98 H C C 60.18 12.48 16.68 30.03 117.08 -139.95 -100.22 130.26 63.90 35.71 0.39 54.03 7.80 1.09 0.09 0.35 0.00 35.23 1.41 99 P C C 79.45 7.32 14.54 23.04 107.65 -116.49 -69.68 138.47 83.96 12.76 3.29 40.23 18.84 24.67 0.34 3.36 0.00 11.53 1.02 100 G C T 58.13 2.22 13.76 16.72 106.03 9.91 76.29 4.65 90.27 4.86 4.88 22.06 27.48 40.60 0.42 5.01 0.00 3.35 1.09 101 G C S 55.14 2.73 12.10 16.27 110.57 8.22 96.95 62.44 91.19 3.08 5.73 23.90 33.58 33.40 0.52 5.82 0.00 1.77 1.01 102 G C S 47.56 4.14 12.04 17.75 116.96 57.03 108.20 -173.82 90.24 4.45 5.31 28.66 36.53 25.21 0.63 4.98 0.00 2.71 1.27 103 D C C 107.08 3.56 14.02 18.96 105.48 -70.84 -89.75 37.85 82.46 11.71 5.83 37.80 27.29 18.42 0.90 5.12 0.00 8.35 2.12 104 W C C 118.89 10.70 13.00 24.23 115.59 110.75 -96.64 126.90 68.08 25.43 6.49 42.76 15.49 10.77 1.39 5.40 0.02 20.78 3.39 105 Y C C 102.56 10.73 16.94 27.99 112.32 -167.85 -100.04 124.04 57.47 37.36 5.17 35.42 15.00 9.07 1.31 3.87 0.02 32.41 2.89 106 F E E 61.75 15.86 16.70 32.19 121.13 -143.43 -109.42 135.26 42.63 53.37 4.00 29.13 10.40 5.67 1.44 2.70 0.03 46.59 4.03 107 D E E 50.05 13.39 19.65 33.11 116.52 -148.85 -101.26 126.77 45.52 51.68 2.80 36.27 6.81 3.10 1.07 1.68 0.01 48.72 2.34 108 L E E 60.31 15.09 19.09 33.62 114.92 -153.46 -97.03 125.32 46.05 50.26 3.69 31.08 10.25 6.66 1.40 2.32 0.03 44.74 3.52 109 W C E 82.81 15.27 18.11 32.82 112.77 -156.33 -98.92 112.92 55.53 40.03 4.44 31.03 13.08 13.76 1.47 2.96 0.07 31.23 6.40 110 G C C 27.14 12.29 18.92 30.85 118.06 -135.69 71.94 -159.15 77.49 19.14 3.37 30.00 27.82 21.04 0.61 2.71 0.01 15.51 2.29 111 R C S 139.98 6.92 20.67 27.83 101.81 -37.55 -88.03 13.40 80.59 16.00 3.41 22.53 34.74 24.37 0.49 2.85 0.01 12.94 2.07 112 G C C 19.71 15.73 17.08 31.94 125.64 -112.49 94.00 174.27 74.88 24.03 1.09 38.29 26.24 10.51 0.13 1.12 0.00 22.45 1.26 113 T E E 36.90 15.68 18.73 34.22 121.22 -86.13 -106.24 138.10 37.04 62.77 0.19 31.52 4.15 0.62 0.04 0.17 0.00 62.61 0.90 114 L E E 77.77 10.94 20.70 31.74 115.75 -137.46 -96.25 128.68 6.50 93.46 0.05 5.88 0.58 0.09 0.01 0.03 0.00 92.74 0.66 115 V E E 29.92 18.60 14.74 33.22 120.86 -166.08 -113.81 130.48 6.34 93.63 0.03 6.08 0.27 0.04 0.01 0.01 0.00 93.14 0.45 116 T E E 69.73 6.81 20.10 27.69 119.68 -156.49 -106.59 134.43 16.82 83.15 0.03 16.58 0.27 0.05 0.01 0.01 0.00 82.08 0.99 117 V C C 38.34 18.27 14.21 31.84 114.31 -153.80 -99.75 123.52 98.60 1.39 0.00 98.74 0.06 0.01 0.00 0.00 0.00 1.17 0.02