# 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 I C C 24.68 20.58 16.76 36.89 121.10 -166.23 -112.36 129.12 93.12 6.88 0.00 93.36 0.08 0.00 0.00 0.00 0.00 6.53 0.04 1 R E E 106.30 7.92 21.97 30.56 120.57 -163.85 -114.44 128.99 10.03 89.97 0.01 10.19 0.08 0.01 0.00 0.00 0.00 89.44 0.27 2 I E E 19.40 21.25 14.86 36.00 120.43 -166.89 -114.69 128.42 2.98 97.02 0.01 2.98 0.05 0.00 0.00 0.00 0.00 96.91 0.04 3 R E E 105.42 7.35 24.19 32.02 117.86 -160.34 -110.60 126.21 1.64 98.35 0.01 1.61 0.03 0.00 0.00 0.00 0.00 98.32 0.03 4 L E E 9.98 23.97 15.17 39.17 125.65 -170.86 -120.14 137.95 3.07 96.92 0.01 3.15 0.05 0.01 0.00 0.00 0.00 96.71 0.08 5 K E E 97.43 6.92 25.39 32.96 123.05 -162.94 -117.41 136.24 7.56 92.41 0.03 7.19 0.33 0.03 0.01 0.01 0.00 92.15 0.27 6 A E E 12.32 20.21 12.92 32.98 136.32 167.46 -142.51 157.53 34.56 65.34 0.10 32.99 1.24 0.16 0.03 0.07 0.00 64.28 1.24 7 Y C S 142.14 5.06 19.51 25.40 94.86 -135.92 -78.84 -24.42 98.98 0.98 0.05 6.43 92.14 0.64 0.01 0.02 0.00 0.68 0.08 8 D C C 67.18 6.42 17.69 25.34 115.43 56.09 -117.22 110.82 98.88 0.95 0.17 63.41 35.24 0.42 0.10 0.05 0.00 0.37 0.41 9 H H H 98.97 11.49 13.68 25.92 93.15 -162.04 -63.00 -34.76 2.95 0.01 97.04 0.49 0.51 1.80 96.52 0.67 0.00 0.00 0.00 10 R H H 162.12 1.37 20.37 20.48 91.68 55.58 -64.41 -40.56 1.59 0.01 98.40 0.20 0.17 1.14 97.90 0.59 0.00 0.00 0.00 11 V H H 38.11 10.05 18.06 29.53 92.19 48.31 -65.24 -41.85 0.68 0.01 99.31 0.15 0.08 0.39 98.85 0.53 0.00 0.00 0.00 12 I H H 6.85 23.73 14.20 37.98 91.30 50.60 -63.00 -43.62 0.30 0.00 99.70 0.07 0.03 0.13 99.66 0.10 0.00 0.00 0.00 13 D H H 68.64 8.18 22.59 30.97 91.43 50.15 -63.61 -42.07 0.29 0.00 99.71 0.05 0.02 0.15 99.75 0.04 0.00 0.00 0.00 14 Q H H 97.31 2.53 25.89 27.09 91.58 49.16 -64.48 -41.99 0.32 0.00 99.68 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 15 S H H 8.94 18.14 20.45 38.85 91.84 49.63 -64.67 -42.39 0.46 0.00 99.54 0.04 0.02 0.31 99.58 0.04 0.00 0.00 0.00 16 A H H 7.73 22.02 19.29 41.02 91.30 51.97 -62.61 -42.49 0.26 0.00 99.74 0.03 0.01 0.15 99.78 0.02 0.00 0.00 0.00 17 E H H 107.12 3.80 25.91 29.75 91.33 51.12 -63.69 -41.59 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 18 K H H 90.41 6.78 25.13 32.25 91.61 49.54 -64.51 -42.24 0.13 0.00 99.87 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 19 I H H 3.49 25.54 19.83 45.33 91.61 49.10 -64.00 -43.58 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 20 V H H 28.28 16.65 21.73 37.95 91.51 49.65 -63.08 -42.98 0.15 0.00 99.84 0.02 0.01 0.08 99.88 0.01 0.00 0.00 0.00 21 E H H 104.34 2.24 26.29 26.85 91.45 49.80 -63.53 -42.17 0.30 0.00 99.70 0.05 0.01 0.15 99.76 0.03 0.00 0.00 0.00 22 T H H 23.83 12.07 20.75 33.92 91.77 49.55 -64.58 -42.42 0.49 0.00 99.50 0.04 0.03 0.32 99.55 0.06 0.00 0.00 0.00 23 A H H 4.44 23.15 14.10 37.46 91.29 51.12 -63.56 -42.21 0.88 0.00 99.12 0.12 0.06 0.54 99.07 0.19 0.00 0.00 0.00 24 K H H 131.92 4.31 19.18 24.87 91.22 51.07 -63.32 -39.95 1.71 0.01 98.29 0.19 0.09 1.28 97.75 0.68 0.00 0.00 0.00 25 R H H 167.92 1.76 18.89 20.35 90.94 53.34 -66.17 -28.36 7.76 0.02 92.23 0.23 0.27 7.36 91.46 0.65 0.01 0.01 0.01 26 S C T 41.76 12.21 13.45 26.40 93.92 51.31 -89.13 -1.07 70.24 0.05 29.72 0.40 1.25 67.45 29.95 0.89 0.01 0.01 0.04 27 G C T 57.64 1.36 20.71 20.70 95.94 -104.48 86.08 11.96 99.83 0.02 0.15 2.07 1.58 96.25 0.05 0.03 0.00 0.01 0.00 28 A C C 16.36 21.07 9.21 29.09 120.57 140.88 -87.54 149.18 97.98 1.99 0.03 96.47 1.54 0.10 0.00 0.02 0.00 1.77 0.11 29 D E E 104.08 2.31 23.86 25.54 110.38 -126.17 -87.86 120.58 37.97 61.94 0.10 35.88 1.52 0.21 0.03 0.07 0.00 61.32 0.98 30 V E E 32.40 22.84 10.49 31.86 120.50 -166.84 -111.71 133.31 10.92 89.03 0.06 10.50 0.37 0.04 0.03 0.03 0.00 82.15 6.87 31 S E E 68.00 4.31 20.70 25.53 114.86 -170.75 -114.00 129.51 31.45 68.50 0.05 25.28 5.81 0.29 0.01 0.03 0.00 67.55 1.02 32 G C E 33.92 4.79 20.31 25.66 132.56 -26.12 114.61 -176.45 53.62 46.36 0.02 24.56 28.61 0.37 0.00 0.02 0.00 46.14 0.30 33 P C C 68.65 12.37 15.83 28.28 115.62 -59.02 -70.52 144.87 59.93 40.04 0.02 54.37 3.96 0.11 0.00 0.02 0.00 40.80 0.74 34 I E E 41.49 14.92 15.30 31.05 119.08 -156.50 -115.82 126.17 20.12 79.87 0.01 18.44 0.94 0.03 0.01 0.01 0.00 72.20 8.37 35 P E E 83.73 4.99 22.00 27.68 114.66 -114.60 -68.40 143.20 35.62 64.37 0.01 34.96 0.82 0.03 0.00 0.01 0.00 61.41 2.77 36 L C C 39.90 20.39 11.85 31.32 116.99 -119.13 -83.71 140.65 91.17 8.81 0.01 89.61 2.09 0.04 0.00 0.01 0.00 7.83 0.41 37 P C C 48.74 9.72 16.78 27.82 114.28 -105.05 -65.87 149.40 91.32 8.44 0.24 87.94 3.07 0.41 0.05 0.18 0.00 7.65 0.70 38 T C S 92.10 6.11 15.53 23.07 98.66 -146.70 -89.23 -14.27 74.76 23.86 1.38 35.80 37.26 2.42 0.23 1.16 0.00 21.95 1.18 39 E E E 104.46 4.60 17.20 23.02 124.01 59.90 -113.33 142.58 24.01 74.31 1.68 17.56 5.93 1.52 0.31 1.11 0.00 72.98 0.58 40 K E E 99.05 12.37 13.16 25.86 126.58 -165.72 -127.27 139.99 7.57 91.56 0.87 6.37 0.86 0.33 0.25 0.39 0.00 91.60 0.20 41 S E E 39.96 8.86 16.30 26.76 127.49 -169.59 -125.61 145.40 2.44 97.41 0.15 1.98 0.22 0.06 0.05 0.05 0.00 97.56 0.07 42 V E E 65.50 9.95 16.03 27.27 120.20 -152.55 -113.01 129.94 1.27 98.68 0.04 1.05 0.08 0.02 0.01 0.01 0.00 98.80 0.03 43 Y E E 66.06 11.54 15.12 28.15 122.87 -168.80 -116.56 135.65 1.42 98.52 0.06 1.22 0.08 0.02 0.02 0.02 0.00 98.63 0.03 44 T E E 57.82 8.42 17.41 27.20 118.90 -150.58 -107.07 131.56 2.88 97.01 0.11 2.60 0.13 0.03 0.04 0.03 0.00 97.10 0.08 45 I E E 41.84 12.79 14.39 28.60 118.80 -160.43 -111.07 128.44 9.37 89.86 0.77 8.33 0.68 0.21 0.45 0.22 0.00 89.65 0.46 46 I E E 71.56 7.93 15.51 25.10 116.53 -148.38 -96.07 132.49 26.51 70.47 3.01 21.18 4.49 1.50 1.67 1.21 0.00 68.93 1.02 47 R E E 113.90 7.44 13.90 22.76 116.70 -156.03 -103.46 132.42 46.43 47.18 6.39 33.28 10.31 3.68 3.58 2.81 0.02 43.92 2.41 48 A C C 45.14 7.12 10.60 19.67 118.03 -131.18 -100.35 139.00 68.63 24.64 6.73 52.33 10.61 4.76 3.33 3.46 0.01 22.98 2.52 49 V C S 97.99 4.03 10.28 15.85 101.32 -136.85 -78.50 -7.57 80.40 6.34 13.26 22.48 30.43 28.91 4.99 7.22 0.05 4.23 1.68 50 H C T 142.25 1.90 10.26 12.91 105.65 44.28 -86.06 32.60 82.54 2.87 14.59 16.44 31.01 36.41 4.33 8.91 0.03 1.60 1.26 51 K C T 161.24 1.51 10.67 12.77 98.51 -54.37 -62.95 4.66 81.99 4.88 13.13 20.57 29.70 33.00 3.05 9.10 0.03 2.98 1.57 52 Y C C 123.98 5.34 8.32 15.42 111.12 83.98 -102.18 100.39 78.13 13.05 8.82 44.36 16.35 18.15 2.15 6.76 0.01 9.75 2.47 53 K C T 142.06 3.08 10.88 15.54 99.91 -154.54 -74.96 -21.67 74.21 17.10 8.68 25.50 18.11 32.24 1.34 7.20 0.02 13.92 1.67 54 D C T 109.37 2.57 13.31 16.71 99.94 41.80 -89.85 14.01 72.44 20.52 7.05 25.12 17.47 30.93 0.82 6.13 0.01 18.45 1.08 55 S C C 41.40 9.26 10.39 21.28 119.11 118.24 -93.88 142.88 63.87 32.52 3.61 47.66 10.99 4.60 0.61 3.16 0.00 31.74 1.25 56 R E E 118.77 7.78 13.40 22.73 124.63 -156.91 -115.96 141.53 37.66 61.05 1.29 31.12 4.06 2.09 0.30 0.98 0.00 60.35 1.10 57 E E E 91.25 9.07 14.48 24.72 121.90 -151.37 -110.08 139.50 21.30 78.33 0.37 18.02 2.32 0.63 0.09 0.25 0.00 78.31 0.38 58 Q E E 91.94 7.94 15.51 24.78 122.37 -153.58 -112.60 138.00 8.70 91.04 0.26 7.45 0.87 0.30 0.09 0.15 0.00 90.98 0.16 59 F E E 62.93 13.00 13.03 26.97 127.43 -173.85 -123.24 146.84 3.63 96.31 0.05 3.24 0.18 0.04 0.02 0.02 0.00 96.43 0.07 60 E E E 91.21 7.18 17.65 26.14 125.19 -159.75 -120.96 140.88 0.96 99.00 0.03 0.82 0.06 0.02 0.01 0.01 0.00 99.06 0.02 61 Q E E 64.58 13.49 14.43 28.40 126.89 -168.52 -125.29 140.90 0.87 99.09 0.03 0.75 0.05 0.02 0.01 0.01 0.00 99.14 0.02 62 R E E 100.59 8.41 17.85 27.39 120.77 -160.16 -113.64 133.05 1.56 98.39 0.05 1.36 0.08 0.03 0.02 0.02 0.00 98.45 0.03 63 T E E 47.66 12.36 16.15 29.31 122.08 -164.67 -114.32 135.51 6.48 93.46 0.07 5.29 0.80 0.14 0.02 0.04 0.00 93.61 0.11 64 H E E 55.87 12.12 16.71 29.91 125.64 -166.40 -122.63 141.38 9.21 90.73 0.06 7.65 1.20 0.16 0.01 0.05 0.00 90.72 0.21 65 K E E 96.29 9.61 19.04 29.28 124.23 -157.59 -119.66 139.25 11.34 88.64 0.02 10.57 0.50 0.03 0.00 0.01 0.00 88.71 0.18 66 R E E 58.46 16.20 16.22 32.41 123.30 -156.49 -114.77 136.45 5.66 94.34 0.01 5.34 0.21 0.01 0.00 0.00 0.00 94.31 0.12 67 L E E 56.03 9.59 21.52 32.03 119.49 -159.29 -110.82 130.69 1.76 98.24 0.00 1.62 0.05 0.00 0.00 0.00 0.00 98.28 0.04 68 I E E 19.95 20.86 15.65 36.82 120.43 -164.47 -114.02 128.70 0.82 99.18 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.01 69 D E E 62.66 6.78 23.96 31.29 115.92 -156.44 -105.79 123.14 1.00 99.00 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.05 0.01 70 I E E 24.66 20.33 13.47 33.98 113.90 -158.01 -100.49 121.73 5.94 94.03 0.03 5.69 0.19 0.03 0.01 0.01 0.00 93.75 0.32 71 V E E 72.77 6.29 18.82 25.87 113.66 -171.20 -97.78 139.41 37.98 61.93 0.09 24.89 13.10 0.92 0.01 0.09 0.00 60.15 0.83 72 N C S 111.15 2.82 18.49 21.75 98.14 6.92 55.71 58.82 82.89 17.05 0.05 29.00 51.98 1.35 0.00 0.06 0.00 17.18 0.42 73 P C C 44.87 16.52 9.63 25.62 116.62 -164.11 -71.21 146.02 90.13 9.75 0.12 79.33 9.95 0.79 0.02 0.12 0.00 8.62 1.17 74 T C C 83.59 4.21 15.78 21.29 116.53 -137.03 -100.91 134.97 96.22 3.62 0.16 85.75 9.99 0.59 0.04 0.11 0.00 2.36 1.16 75 P C C 89.72 5.74 11.99 19.38 109.88 -107.17 -67.45 146.76 88.21 3.83 7.96 54.21 18.94 14.42 1.01 7.90 0.00 2.72 0.80 76 K C C 142.81 3.33 11.21 16.33 113.86 -129.85 -93.23 128.63 80.69 10.40 8.91 44.96 19.79 16.42 1.23 7.96 0.01 7.97 1.65 77 T C C 92.58 4.53 8.98 15.42 118.23 -154.47 -104.47 134.54 62.59 27.65 9.76 45.08 9.78 7.96 2.44 7.54 0.06 21.53 5.61 78 V C C 97.97 4.96 7.65 14.41 115.99 -154.85 -101.97 127.19 71.84 25.77 2.38 66.36 2.39 2.27 1.13 1.08 0.00 21.46 5.32 79 D C C 118.17 1.83 12.55 15.44 109.14 -142.72 -89.10 111.58 99.62 0.37 0.02 99.56 0.10 0.04 0.01 0.00 0.00 0.28 0.02