# 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 E C C 114.97 5.00 19.16 25.15 119.64 -156.43 -104.72 134.68 98.81 1.18 0.01 98.89 0.06 0.01 0.00 0.00 0.00 1.01 0.02 1 V E E 48.26 18.11 11.10 28.18 121.16 -158.13 -110.43 132.61 38.76 60.90 0.35 38.15 0.50 0.19 0.13 0.14 0.00 60.15 0.75 2 Q E E 94.33 5.19 20.04 26.11 123.25 -167.38 -117.74 137.00 16.84 82.30 0.86 15.19 1.19 0.42 0.36 0.41 0.00 81.89 0.54 3 L E E 62.56 17.35 13.74 30.31 119.24 -147.20 -103.95 131.65 14.87 83.97 1.16 13.70 0.90 0.37 0.49 0.53 0.00 83.53 0.48 4 V E E 58.61 9.85 19.26 30.08 124.31 -170.60 -120.76 137.99 18.22 80.42 1.36 16.15 1.53 0.56 0.57 0.66 0.00 79.79 0.74 5 E E E 102.98 10.69 17.65 28.90 116.86 -132.25 -92.20 134.26 32.82 65.02 2.15 26.53 4.73 1.88 0.66 1.41 0.00 63.89 0.90 6 S C C 45.28 13.96 15.68 29.26 106.74 -163.30 -93.17 28.18 65.58 31.73 2.69 45.04 13.57 6.20 0.48 2.30 0.00 31.45 0.95 7 G C C 42.90 7.13 19.35 26.80 109.04 -113.55 91.10 4.03 75.60 23.04 1.36 32.85 30.81 12.10 0.18 1.31 0.00 21.70 1.06 8 G C C 33.53 11.50 17.20 28.52 126.55 -15.53 122.60 173.98 70.59 28.66 0.76 37.46 25.64 7.68 0.08 0.82 0.00 27.34 0.97 9 G E E 26.98 11.63 18.87 30.54 125.93 -120.09 126.98 172.43 41.24 58.61 0.15 30.70 10.21 0.95 0.02 0.15 0.00 57.10 0.87 10 L E E 80.57 11.31 21.15 32.27 120.11 -89.74 -105.08 133.77 10.88 89.07 0.05 9.10 1.74 0.13 0.01 0.04 0.00 88.10 0.88 11 V E E 23.17 19.66 15.17 34.53 124.27 -168.74 -119.53 136.48 6.56 93.41 0.03 5.96 0.46 0.02 0.02 0.01 0.00 87.23 6.30 12 Q C C 94.21 5.49 22.78 28.51 119.96 -128.03 -82.97 149.60 88.81 11.17 0.03 88.68 0.51 0.06 0.01 0.01 0.00 10.21 0.52 13 P C T 69.52 12.23 14.38 26.94 109.93 -86.56 -59.50 137.93 99.17 0.58 0.24 0.36 2.59 96.39 0.01 0.19 0.00 0.40 0.05 14 G C T 52.17 3.00 19.01 22.58 96.67 21.86 87.37 -5.23 99.32 0.47 0.22 0.52 3.11 95.80 0.01 0.18 0.00 0.36 0.03 15 G C C 24.64 8.69 15.87 25.99 127.83 113.56 -91.84 172.36 90.68 9.27 0.06 74.73 15.75 0.27 0.01 0.07 0.00 8.52 0.65 16 S E E 56.15 9.07 19.71 29.87 132.17 -125.10 -129.40 152.85 44.63 55.36 0.02 44.26 0.69 0.03 0.00 0.01 0.00 54.24 0.76 17 L E E 20.53 22.05 15.56 37.18 125.74 -159.74 -124.33 138.73 1.80 98.20 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.17 0.09 18 R E E 120.18 7.39 24.49 32.71 119.24 -154.74 -111.82 128.59 0.76 99.24 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.24 0.03 19 L E E 9.61 24.81 16.11 41.03 124.02 -170.68 -118.22 136.60 3.91 96.08 0.01 3.59 0.15 0.01 0.00 0.01 0.00 96.12 0.11 20 S E E 43.81 9.41 26.33 36.04 127.30 -165.58 -117.96 146.34 19.22 80.72 0.06 17.37 1.00 0.10 0.01 0.03 0.00 81.28 0.20 21 C E E 10.12 24.27 16.24 40.27 132.10 -169.96 -137.61 148.78 26.40 73.38 0.22 23.50 1.97 0.30 0.06 0.13 0.00 73.33 0.69 22 A E E 44.49 8.78 25.95 35.15 123.08 -159.64 -112.68 136.71 21.40 77.91 0.70 19.38 1.63 0.47 0.30 0.42 0.00 74.27 3.53 23 V E E 19.36 22.80 13.53 35.73 121.42 -168.66 -116.45 129.70 46.44 51.92 1.64 43.02 2.28 0.78 0.54 1.09 0.00 49.08 3.20 24 S C E 68.41 5.53 19.67 25.93 120.24 -158.59 -101.74 141.08 63.28 34.17 2.56 21.02 16.36 28.14 0.53 1.92 0.04 30.03 1.95 25 G C S 55.20 2.33 19.29 21.59 99.13 12.99 82.97 -0.68 83.26 14.18 2.56 12.30 36.56 34.44 0.49 1.90 0.02 13.41 0.88 26 F C C 65.93 16.70 11.31 27.50 124.01 99.79 -106.34 145.56 75.92 21.85 2.23 54.79 17.37 3.82 0.65 1.77 0.00 19.03 2.56 27 T C C 85.30 4.28 22.08 26.95 116.52 -147.49 -103.30 126.87 69.14 29.86 0.99 60.62 5.44 2.05 0.34 0.69 0.00 27.03 3.83 28 V C C 37.70 20.45 12.08 31.52 121.53 -159.35 -111.03 133.54 64.37 34.35 1.28 51.60 9.91 2.14 0.63 0.80 0.00 29.66 5.28 29 S C C 48.08 6.54 20.04 27.13 127.07 -171.71 -115.92 160.08 75.41 23.85 0.74 63.40 8.83 2.34 0.25 0.55 0.00 20.16 4.48 30 R C S 142.70 7.16 18.10 26.14 94.92 -98.27 -67.56 -24.49 94.34 4.24 1.42 7.44 45.51 41.74 0.30 0.97 0.00 3.53 0.50 31 N C S 75.05 11.01 18.37 29.31 101.23 27.20 -105.95 2.78 93.69 5.59 0.72 5.86 45.35 42.34 0.05 0.62 0.00 5.47 0.31 32 Y E E 55.15 13.10 22.01 35.66 137.92 47.08 -140.89 153.19 20.34 79.56 0.11 15.17 4.95 0.54 0.02 0.09 0.00 77.78 1.46 33 M E E 5.77 24.89 19.45 44.71 125.68 -155.19 -120.46 138.91 3.46 96.54 0.00 3.27 0.13 0.01 0.00 0.00 0.00 96.50 0.09 34 T E E 19.55 16.12 27.23 43.39 126.86 -167.03 -123.01 144.57 1.19 98.81 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.83 0.02 35 W E E 9.06 24.14 22.32 46.21 126.94 -163.51 -120.96 140.84 0.82 99.17 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.23 0.01 36 A E E 11.56 17.86 23.81 41.62 129.77 -167.95 -126.34 145.48 0.81 99.19 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.25 0.02 37 R E E 54.55 15.65 21.62 36.89 127.75 -165.85 -123.82 144.49 1.39 98.61 0.00 1.18 0.08 0.01 0.00 0.00 0.00 98.69 0.04 38 Q E E 72.03 11.73 18.10 30.23 115.74 -131.58 -94.41 128.84 11.54 88.44 0.02 10.30 0.79 0.05 0.01 0.01 0.00 88.33 0.52 39 A C C 28.99 11.35 12.69 25.55 118.25 -132.09 -80.18 152.49 77.96 21.92 0.12 74.19 2.72 0.41 0.03 0.10 0.00 21.56 1.01 40 P C T 105.25 3.25 12.43 17.50 109.42 -81.00 -58.70 134.62 97.57 0.29 2.13 0.57 5.39 91.24 0.03 2.51 0.00 0.19 0.07 41 G C T 69.99 0.24 12.65 10.12 96.41 15.00 81.58 -3.40 97.49 0.18 2.33 0.67 5.23 91.09 0.04 2.81 0.00 0.11 0.05 42 K C S 126.08 3.70 11.12 16.57 115.09 79.63 -111.67 106.57 81.40 14.83 3.77 19.59 42.82 19.61 0.28 4.00 0.01 9.57 4.11 43 G C C 34.67 4.38 16.61 21.94 129.37 -112.60 96.48 -173.23 76.75 23.11 0.15 53.14 22.98 1.21 0.02 0.18 0.00 21.11 1.36 44 P C C 52.74 14.33 13.86 28.47 115.19 -37.14 -69.33 140.56 61.11 38.82 0.06 54.29 4.34 0.36 0.01 0.07 0.00 40.60 0.34 45 E E E 70.13 10.97 21.00 32.36 126.86 -168.30 -125.57 141.45 8.05 91.92 0.03 6.89 0.74 0.06 0.00 0.02 0.00 92.04 0.24 46 W E E 77.42 16.56 20.36 36.49 111.05 -112.76 -73.55 128.51 0.78 99.22 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.03 47 V E E 9.33 21.18 22.15 43.48 102.09 175.11 -100.70 -29.75 4.72 95.28 0.00 2.82 1.46 0.03 0.00 0.00 0.00 95.69 0.01 48 S E E 3.96 21.68 23.63 45.30 142.65 -3.98 -157.18 155.09 0.60 99.40 0.00 0.45 0.05 0.00 0.00 0.00 0.00 99.49 0.00 49 V E E 16.24 18.47 25.05 43.26 126.34 -155.30 -129.37 135.36 0.20 99.80 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 50 I E E 14.91 19.61 20.33 40.40 116.27 -153.38 -107.74 123.86 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.34 0.12 51 Y C C 59.28 11.33 19.03 31.31 124.42 -166.91 -107.21 151.49 62.75 37.21 0.05 60.57 1.19 0.11 0.01 0.03 0.00 37.47 0.62 52 P C T 74.48 11.07 14.46 25.88 104.57 -97.27 -62.06 133.26 95.98 1.91 2.11 1.51 4.92 89.49 0.06 2.29 0.00 1.52 0.21 53 G C T 61.68 1.16 16.30 16.56 95.32 23.66 74.40 -2.08 97.49 0.26 2.25 0.70 4.17 92.25 0.06 2.60 0.00 0.16 0.06 54 G C S 44.18 6.38 13.99 21.32 102.64 -93.54 94.20 2.05 95.27 1.24 3.49 13.81 67.66 13.43 0.19 3.72 0.00 0.77 0.42 55 S C C 58.65 4.40 17.39 22.75 119.80 125.50 -80.83 153.59 87.40 12.52 0.08 82.46 3.74 0.46 0.01 0.07 0.00 12.68 0.58 56 T E E 55.25 16.89 13.21 29.45 127.99 -151.48 -124.32 141.51 7.10 92.88 0.02 6.49 0.42 0.04 0.01 0.02 0.00 91.98 1.05 57 F E E 75.93 10.45 21.52 32.51 131.41 -172.47 -132.23 145.80 3.09 96.90 0.02 2.72 0.22 0.02 0.00 0.01 0.00 96.78 0.24 58 Y E E 93.52 15.23 18.13 32.74 124.70 -151.43 -113.50 140.60 13.93 85.97 0.10 12.63 1.05 0.13 0.03 0.07 0.00 85.09 1.00 59 A C C 13.42 18.79 12.67 31.74 113.39 -114.81 -72.13 136.32 88.28 10.82 0.90 83.24 3.98 0.86 0.20 0.60 0.00 10.42 0.69 60 D H G 115.32 2.00 18.72 21.17 92.74 -131.80 -64.10 -30.18 46.33 1.08 52.59 4.48 7.94 32.94 2.72 50.89 0.00 0.69 0.34 61 S H G 59.02 7.75 17.60 26.33 91.47 63.26 -70.15 -18.60 47.13 0.49 52.38 1.75 5.00 38.66 2.38 51.73 0.00 0.28 0.20 62 V H G 9.66 22.43 10.96 33.39 98.35 44.19 -101.99 -1.83 47.78 1.79 50.44 4.36 6.95 35.72 2.95 48.21 0.02 1.13 0.67 63 K C T 125.74 6.52 15.31 24.41 110.30 124.72 -61.15 130.66 91.65 3.33 5.02 3.70 5.38 82.85 1.48 2.89 0.01 1.67 2.03 64 G C T 61.20 1.42 18.89 19.52 94.06 14.48 80.86 -2.67 94.93 0.54 4.53 1.29 5.39 88.74 0.62 3.40 0.00 0.37 0.18 65 R C T 82.20 12.98 17.21 30.32 100.32 80.16 -98.39 -22.46 93.89 2.31 3.80 8.71 24.12 61.08 0.50 3.13 0.00 2.15 0.31 66 F E E 8.18 24.46 12.85 37.71 134.68 32.96 -137.15 149.57 16.43 83.41 0.16 12.48 3.89 0.38 0.06 0.12 0.00 80.63 2.44 67 T E E 61.31 6.60 26.65 33.86 126.56 -163.85 -123.89 142.42 2.37 97.62 0.01 2.20 0.10 0.00 0.00 0.00 0.00 97.56 0.13 68 I E E 22.30 23.93 14.80 38.39 123.23 -159.37 -119.68 131.26 1.59 98.41 0.00 1.52 0.04 0.00 0.00 0.00 0.00 98.40 0.03 69 S E E 46.99 6.73 25.03 32.12 132.63 -175.35 -133.42 151.28 2.81 97.19 0.01 2.54 0.11 0.01 0.00 0.00 0.00 97.31 0.04 70 R E E 90.37 17.19 13.64 30.01 123.37 -148.27 -113.79 135.21 4.96 95.01 0.03 4.30 0.45 0.05 0.01 0.02 0.00 94.87 0.30 71 D E E 55.92 7.59 15.22 24.65 109.38 -147.49 -102.28 109.49 24.87 75.03 0.10 23.58 1.07 0.17 0.03 0.07 0.00 73.81 1.27 72 S C T 76.42 5.57 12.52 20.21 93.79 -163.27 -68.90 -22.73 89.21 0.71 10.08 1.97 7.61 77.27 0.20 12.26 0.00 0.52 0.18 73 S C T 93.81 0.77 14.81 14.22 94.21 56.62 -74.43 -30.43 88.44 0.99 10.57 1.18 6.68 78.62 0.20 12.37 0.01 0.65 0.30 74 K C T 108.43 5.25 15.04 21.21 98.08 32.62 -98.58 -1.48 90.74 0.22 9.04 1.95 11.21 75.23 0.17 11.23 0.00 0.12 0.08 75 N C T 60.12 12.63 15.67 29.13 95.94 -131.03 54.38 40.93 99.40 0.31 0.29 8.54 9.24 81.63 0.03 0.26 0.00 0.26 0.04 76 I E E 35.46 12.17 20.99 34.40 130.66 124.67 -127.63 148.51 12.22 87.77 0.01 10.56 1.25 0.07 0.00 0.01 0.00 86.08 2.03 77 L E E 5.84 24.14 18.86 43.55 119.96 -150.24 -109.53 132.47 1.57 98.43 0.00 1.52 0.03 0.00 0.00 0.00 0.00 98.38 0.07 78 Y E E 45.65 13.42 26.62 40.48 121.43 -164.73 -114.95 132.01 1.31 98.69 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.81 0.00 79 L E E 3.01 26.06 20.09 46.90 119.25 -160.61 -111.28 129.10 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 80 Q E E 51.51 11.64 27.34 39.45 119.27 -162.05 -111.13 128.68 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 81 M E E 7.76 24.63 17.06 42.11 119.91 -167.58 -115.01 128.73 12.03 87.97 0.00 12.32 0.08 0.00 0.00 0.00 0.00 86.87 0.73 82 N C S 67.92 7.86 22.99 31.06 121.36 -154.28 -97.03 154.54 97.45 2.51 0.04 44.60 47.38 5.08 0.00 0.07 0.00 2.73 0.15 83 S C S 61.42 5.15 24.27 29.74 98.23 9.53 58.84 55.49 99.39 0.59 0.03 8.27 85.95 5.22 0.00 0.03 0.00 0.45 0.08 84 L C C 15.05 24.49 11.35 35.68 114.51 -154.76 -72.70 136.58 99.34 0.65 0.01 98.44 1.04 0.01 0.00 0.00 0.00 0.20 0.30 85 R C C 99.01 5.07 24.70 29.81 133.43 -174.44 -129.52 161.57 99.54 0.44 0.02 99.32 0.29 0.01 0.00 0.01 0.00 0.08 0.29 86 V H G 70.14 14.13 15.68 29.63 91.01 -103.11 -59.75 -31.89 3.49 0.03 96.48 0.23 0.24 2.11 0.19 97.21 0.00 0.02 0.00 87 D H G 98.84 3.68 22.11 26.32 90.15 62.75 -71.41 -14.32 2.95 0.05 97.00 0.14 0.20 1.89 0.15 97.58 0.00 0.04 0.00 88 D H G 12.99 21.29 16.55 38.21 93.95 67.26 -82.73 -1.85 4.33 0.07 95.60 0.85 0.46 1.51 0.24 96.88 0.00 0.06 0.00 89 T C C 32.00 16.83 21.61 38.31 115.28 111.12 -80.82 133.46 93.91 5.99 0.10 92.47 1.76 0.06 0.01 0.08 0.00 5.43 0.18 90 A E E 10.08 19.14 23.44 41.98 141.78 153.43 -153.91 169.42 2.65 97.34 0.01 2.47 0.12 0.01 0.00 0.00 0.00 97.13 0.27 91 V E E 24.74 17.14 25.89 42.86 119.70 -107.08 -104.75 131.95 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 92 Y E E 7.32 24.89 22.32 47.03 122.96 -161.39 -111.98 137.13 0.48 99.52 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 93 Y E E 24.61 19.24 27.51 45.86 130.55 -172.23 -125.91 148.39 1.49 98.49 0.02 1.27 0.08 0.01 0.00 0.01 0.00 98.58 0.04 94 C E E 3.74 24.50 23.56 47.85 126.21 -160.17 -118.99 143.67 7.60 92.12 0.28 6.33 0.76 0.17 0.12 0.11 0.00 92.22 0.30 95 A E E 10.15 18.51 24.06 42.35 126.59 -164.90 -119.40 145.59 12.93 85.70 1.37 11.28 1.16 0.43 0.73 0.50 0.00 84.85 1.05 96 R E E 61.53 15.59 20.49 35.68 121.68 -155.52 -111.25 139.38 28.84 66.89 4.28 21.20 6.88 2.70 2.15 1.97 0.02 63.36 1.71 97 D E E 64.10 8.70 19.35 28.58 110.48 -118.51 -95.09 111.78 45.12 49.41 5.47 34.06 8.97 3.61 2.61 2.50 0.01 46.51 1.73 98 L C C 61.96 12.14 12.75 25.57 104.46 -162.93 -86.27 15.73 54.67 31.25 14.08 36.83 11.96 7.56 7.67 6.28 0.10 26.24 3.37 99 T C C 84.18 4.50 13.57 19.30 105.03 103.54 -86.20 -23.39 62.26 12.69 25.05 30.14 16.69 17.89 9.03 14.33 0.20 9.12 2.62 100 I C T 118.18 3.31 12.03 16.56 101.67 32.35 -84.43 -17.22 66.86 4.76 28.38 14.18 17.21 36.89 8.52 18.18 0.16 3.08 1.78 101 R C T 153.49 3.62 12.26 17.15 102.16 27.91 -92.45 23.00 75.40 1.57 23.03 9.65 15.33 50.78 5.82 16.57 0.03 0.93 0.88 102 G C T 46.06 4.78 14.36 20.30 103.96 -83.87 82.97 2.12 84.97 6.47 8.56 20.54 26.93 38.59 1.65 6.26 0.02 4.58 1.44 103 E C C 81.33 10.15 14.84 25.85 118.59 114.08 -96.01 140.76 71.61 25.91 2.48 54.24 11.07 5.39 0.60 2.01 0.00 23.70 3.00 104 A C E 31.61 15.15 16.76 32.02 118.67 -139.49 -95.88 138.53 49.90 49.34 0.77 41.27 6.47 1.85 0.20 0.60 0.00 47.52 2.08 105 S E E 33.74 14.42 20.98 35.32 125.42 -159.48 -116.98 141.60 22.44 77.22 0.34 18.96 2.49 0.63 0.14 0.22 0.00 72.66 4.91 106 W E E 59.06 19.24 18.78 37.07 118.30 -141.44 -99.04 136.22 26.98 72.71 0.31 22.54 3.08 0.78 0.14 0.21 0.00 66.64 6.60 107 G C C 15.07 16.32 19.36 35.19 121.57 -138.56 -80.84 -109.35 67.13 32.73 0.14 50.55 14.09 1.66 0.02 0.14 0.00 32.50 1.04 108 Q C C 103.83 7.81 24.01 32.03 99.34 -72.88 -79.11 -0.24 77.34 22.56 0.10 60.86 14.04 0.95 0.01 0.11 0.00 23.30 0.73 109 G C C 12.21 19.98 17.93 36.51 127.22 -124.13 85.98 174.16 66.56 33.40 0.04 59.41 4.64 0.26 0.00 0.04 0.00 35.19 0.45 110 T E E 22.38 17.91 21.38 39.01 126.51 -106.89 -114.77 143.83 5.58 94.41 0.01 5.10 0.29 0.01 0.00 0.00 0.00 94.27 0.32 111 L E E 72.62 10.84 24.99 35.82 115.25 -126.98 -90.99 131.12 1.02 98.98 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.02 0.03 112 V E E 5.73 24.99 16.01 41.58 122.09 -166.82 -115.63 133.29 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 113 T E E 54.78 7.53 25.78 33.79 120.33 -156.30 -110.05 133.71 1.16 98.84 0.00 1.07 0.03 0.00 0.00 0.00 0.00 98.86 0.04 114 V E E 19.45 22.14 12.64 34.21 118.07 -152.77 -101.93 131.18 12.06 87.89 0.05 10.93 0.65 0.07 0.01 0.03 0.00 87.86 0.44 115 S E E 57.12 5.99 17.65 24.45 124.37 -164.19 -108.96 158.22 46.52 53.37 0.11 43.92 1.22 0.31 0.02 0.07 0.00 53.12 1.33 116 S C C 79.46 5.08 15.84 22.19 104.64 -100.14 -76.19 49.32 99.72 0.27 0.01 99.62 0.15 0.04 0.00 0.00 0.00 0.18 0.01