# 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 M C C 111.61 6.80 11.89 20.13 115.37 -158.30 -96.22 128.66 99.88 0.10 0.01 99.85 0.06 0.03 0.00 0.00 0.00 0.05 0.01 1 T C C 93.68 3.88 10.79 16.58 115.90 -160.69 -101.37 133.93 90.15 6.30 3.55 85.84 1.35 3.65 1.57 1.33 0.00 4.35 1.90 2 M C C 124.35 4.55 9.93 16.41 114.21 -152.77 -97.64 131.47 84.23 10.71 5.06 61.50 12.95 9.66 1.94 3.07 0.00 7.90 2.98 3 N C C 111.17 3.73 11.89 17.36 113.41 -158.37 -98.90 122.72 84.52 9.54 5.95 54.43 17.18 13.25 2.60 3.18 0.01 6.86 2.49 4 G C C 39.98 6.47 14.18 21.81 120.96 21.27 118.14 -161.29 85.85 6.30 7.86 49.20 26.92 10.13 5.40 2.55 0.01 3.69 2.11 5 I C C 69.46 10.85 14.18 25.94 115.41 -66.64 -95.61 131.70 77.89 3.49 18.61 55.83 17.44 3.35 19.27 1.27 0.00 1.69 1.15 6 P C C 47.22 11.06 16.12 28.18 107.92 -110.74 -67.04 142.51 65.19 2.32 32.49 56.99 3.14 3.52 33.17 1.28 0.00 1.22 0.67 7 V H H 66.47 12.21 14.90 27.17 95.23 -122.36 -65.01 -35.61 14.30 0.65 85.05 10.48 2.08 3.22 81.39 2.25 0.00 0.40 0.17 8 K H H 129.35 2.47 19.81 22.00 93.27 58.34 -65.63 -38.29 6.30 0.50 93.19 3.76 0.90 2.26 89.72 2.87 0.01 0.40 0.08 9 L H H 46.72 11.78 17.44 29.92 93.46 52.24 -66.76 -40.50 3.44 0.21 96.35 1.59 0.47 1.58 92.60 3.55 0.01 0.17 0.03 10 L H H 16.94 22.27 14.22 35.69 92.69 52.72 -64.60 -41.11 2.80 0.10 97.10 1.05 0.34 1.41 93.90 3.20 0.00 0.06 0.02 11 N H H 92.11 5.98 20.12 27.01 91.98 54.15 -64.05 -35.17 5.40 0.09 94.51 1.25 0.52 3.42 90.30 4.39 0.02 0.05 0.04 12 E H H 116.02 3.82 21.83 25.74 91.70 57.23 -69.50 -23.58 14.48 0.06 85.46 0.95 0.85 12.38 81.48 4.23 0.05 0.03 0.03 13 A H H 9.73 20.57 14.15 34.94 94.84 51.68 -90.38 -9.88 46.98 0.18 52.83 3.62 2.29 39.76 49.70 4.40 0.03 0.08 0.12 14 Q C T 82.70 12.24 15.41 28.43 111.76 118.98 -61.21 132.15 96.88 0.92 2.20 1.15 1.59 94.83 1.06 0.40 0.00 0.31 0.66 15 G C T 49.26 3.28 20.86 24.67 93.57 18.15 84.23 -4.46 99.52 0.19 0.29 0.41 2.69 96.60 0.04 0.12 0.00 0.13 0.02 16 H C C 72.01 10.75 17.94 29.44 127.37 112.71 -103.00 155.83 96.07 3.84 0.09 48.22 47.54 0.45 0.02 0.05 0.00 3.51 0.20 17 I E E 78.11 9.45 21.99 31.87 113.30 -116.93 -84.61 129.99 7.20 92.79 0.01 7.38 0.15 0.01 0.00 0.00 0.00 92.07 0.39 18 V E E 7.07 23.27 16.09 39.64 129.53 -174.60 -125.99 148.04 0.73 99.26 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.28 0.01 19 S E E 29.80 10.33 25.49 36.71 119.20 -141.93 -107.55 132.28 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 20 L E E 5.89 24.55 17.67 42.65 123.61 -168.45 -119.95 135.40 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 21 E E E 73.25 7.94 24.19 32.72 114.03 -146.30 -101.39 122.31 0.99 99.01 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.04 0.03 22 L E E 14.93 20.21 12.27 32.50 123.31 -150.26 -86.53 164.25 46.99 52.88 0.13 46.05 0.83 0.14 0.02 0.08 0.00 51.77 1.10 23 T C T 91.83 5.67 15.96 23.09 91.15 -103.97 -63.57 -23.44 97.63 0.73 1.64 0.61 4.16 93.06 0.04 1.51 0.00 0.52 0.10 24 T C T 85.65 3.92 15.76 20.72 92.81 58.56 -86.18 -0.65 98.21 0.12 1.67 0.30 3.43 94.56 0.04 1.58 0.00 0.07 0.03 25 G C S 42.78 4.56 16.48 22.16 98.01 -101.56 89.29 4.87 98.35 0.54 1.11 12.91 83.20 2.52 0.06 0.85 0.00 0.29 0.16 26 A C C 31.03 11.04 15.14 27.95 118.60 137.78 -75.74 146.49 93.16 6.82 0.01 92.88 0.75 0.06 0.00 0.01 0.00 5.94 0.35 27 T E E 49.61 12.64 19.91 33.02 125.74 -157.96 -122.35 138.69 0.77 99.22 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.20 0.06 28 Y E E 18.79 20.96 18.86 39.85 127.45 -171.03 -125.51 141.06 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 29 R E E 92.71 11.11 25.31 36.43 123.28 -157.73 -114.40 134.91 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 30 G E E 6.07 17.25 21.55 39.04 144.92 127.51 -164.28 -176.29 1.01 98.99 0.00 0.79 0.07 0.00 0.00 0.00 0.00 99.14 0.00 31 K E E 80.87 8.26 26.26 35.59 122.77 -72.58 -111.81 139.00 0.63 99.37 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 32 L E E 10.06 24.02 14.81 39.63 109.35 -114.12 -73.01 126.00 0.78 99.21 0.01 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.02 33 V E E 63.18 7.32 22.85 31.01 100.67 175.01 -98.28 -31.84 2.40 97.58 0.02 1.71 0.46 0.05 0.00 0.01 0.00 97.75 0.02 34 E E E 87.36 4.82 24.65 30.19 140.09 -2.11 -154.15 153.91 2.43 97.55 0.02 1.58 0.66 0.07 0.00 0.01 0.00 97.66 0.03 35 S E E 33.05 20.46 11.38 30.30 130.67 -167.69 -138.57 143.72 8.38 91.54 0.08 7.85 0.62 0.08 0.03 0.04 0.00 90.54 0.83 36 E C C 78.87 6.05 17.03 24.15 126.16 -146.61 -98.41 171.65 80.87 18.69 0.44 76.49 2.46 0.92 0.11 0.30 0.00 18.30 1.42 37 D C T 122.72 2.01 15.64 18.32 92.81 -91.65 -64.53 -20.65 95.57 0.64 3.79 1.40 6.77 87.12 0.15 3.92 0.00 0.42 0.20 38 S C T 63.73 5.16 16.75 22.90 94.61 51.89 -89.26 3.09 96.01 0.20 3.79 1.43 6.27 88.07 0.20 3.82 0.00 0.11 0.10 39 M C S 44.96 16.14 15.20 31.31 94.48 -107.66 71.46 24.36 91.75 3.07 5.18 27.45 44.43 19.70 0.44 5.06 0.00 1.82 1.09 40 N C C 40.23 9.98 21.83 33.14 116.32 148.91 -82.38 139.58 85.23 14.60 0.17 73.95 7.63 2.34 0.03 0.15 0.00 14.96 0.93 41 V E E 5.71 24.47 17.32 42.37 121.25 -152.15 -112.87 132.23 5.32 94.68 0.00 5.21 0.15 0.00 0.00 0.00 0.00 94.49 0.15 42 Q E E 43.61 10.55 26.73 38.17 120.93 -164.02 -113.28 131.79 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 43 L E E 7.56 24.12 16.74 41.25 121.51 -164.82 -114.82 130.03 0.30 99.70 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.01 44 R E E 91.61 7.36 23.09 30.85 131.37 -173.16 -127.79 152.87 2.97 97.02 0.00 1.84 0.81 0.04 0.00 0.00 0.00 97.29 0.01 45 D E E 92.56 3.81 23.18 27.43 92.90 7.66 57.47 46.55 3.11 96.89 0.00 2.00 0.64 0.02 0.00 0.00 0.00 97.33 0.01 46 V E E 8.89 23.29 12.54 35.89 117.33 173.59 -87.38 138.54 0.88 99.12 0.00 0.83 0.01 0.00 0.00 0.00 0.00 99.15 0.00 47 I E E 56.14 7.53 25.00 33.33 119.22 -156.18 -111.56 128.22 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 A E E 9.61 20.22 15.02 35.49 126.16 -172.26 -121.12 141.76 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 49 T E E 49.70 7.13 18.97 27.65 118.98 -150.36 -111.46 129.72 1.06 98.94 0.00 0.95 0.04 0.00 0.00 0.00 0.00 98.92 0.09 50 E C C 50.84 10.58 11.67 23.81 123.56 -150.27 -88.11 167.49 90.98 8.99 0.03 90.91 0.46 0.06 0.00 0.01 0.00 8.18 0.37 51 P C T 105.96 3.46 11.41 16.80 91.17 -100.14 -60.62 -25.51 98.77 0.32 0.91 0.65 3.66 94.46 0.02 0.94 0.00 0.22 0.05 52 Q C T 146.63 0.72 12.08 11.87 92.93 55.70 -86.57 0.59 99.09 0.09 0.83 0.41 3.08 95.58 0.02 0.83 0.00 0.05 0.02 53 G C S 49.47 3.06 11.54 16.11 98.62 -101.55 88.11 4.61 98.33 0.67 1.00 20.17 75.66 2.68 0.09 0.79 0.00 0.37 0.24 54 A C C 58.16 3.63 12.29 17.84 116.97 139.28 -76.47 143.13 95.78 4.20 0.02 95.34 0.91 0.07 0.00 0.01 0.00 3.29 0.37 55 V E E 84.74 9.50 11.35 22.24 122.75 -154.04 -116.24 135.25 2.30 97.70 0.00 2.23 0.07 0.00 0.00 0.00 0.00 97.51 0.19 56 T E E 61.86 6.91 15.79 24.40 127.76 -175.70 -127.53 145.25 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 57 H E E 120.21 7.05 14.69 23.68 119.25 -140.34 -105.05 133.40 1.05 98.95 0.00 0.91 0.05 0.00 0.00 0.00 0.00 99.02 0.02 58 M E E 54.81 13.12 12.22 26.14 124.22 -171.98 -119.80 141.59 13.43 86.56 0.01 13.08 0.25 0.01 0.00 0.01 0.00 86.57 0.08 59 D E E 97.44 3.82 18.45 23.03 101.26 -145.79 -81.02 -29.59 24.35 75.62 0.02 8.91 14.16 0.32 0.00 0.02 0.00 76.54 0.05 60 Q E E 95.59 7.92 18.11 26.67 123.18 12.84 -128.54 129.38 4.76 95.23 0.01 3.56 0.71 0.04 0.00 0.01 0.00 95.65 0.03 61 I E E 29.31 18.44 15.09 33.66 124.12 -174.54 -121.56 134.70 0.31 99.69 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.67 0.01 62 F E E 99.57 8.41 23.31 32.16 116.92 -150.34 -102.93 126.63 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 63 V E E 11.59 22.41 15.13 37.59 126.57 -174.88 -125.50 139.15 3.64 96.36 0.00 3.51 0.07 0.00 0.00 0.00 0.00 96.31 0.11 64 R C C 104.27 5.47 23.97 29.40 114.09 -122.04 -75.95 137.70 75.46 24.44 0.10 75.72 0.52 0.04 0.01 0.07 0.00 23.39 0.26 65 G H G 17.93 19.15 13.16 32.02 91.54 -125.57 -58.71 -35.21 4.20 0.07 95.73 0.20 0.33 2.67 0.25 96.50 0.00 0.05 0.00 66 S H G 79.59 3.00 20.97 24.54 89.94 64.47 -69.62 -16.57 3.45 0.04 96.51 0.10 0.20 2.40 0.20 97.07 0.00 0.03 0.00 67 Q H G 72.20 10.57 17.73 29.16 94.69 56.11 -93.79 -3.82 4.69 0.12 95.20 0.38 0.47 2.67 0.26 96.13 0.00 0.09 0.00 68 I E E 18.16 23.24 10.81 33.43 112.91 97.92 -84.74 122.74 6.69 93.28 0.03 6.76 0.29 0.02 0.01 0.02 0.00 92.28 0.62 69 K E E 109.83 4.89 20.73 26.54 101.01 176.09 -96.94 -32.16 6.38 93.62 0.01 4.18 2.17 0.03 0.00 0.00 0.00 93.58 0.04 70 F E E 90.72 6.91 21.74 29.55 138.00 3.90 -153.27 148.74 0.68 99.31 0.01 0.57 0.06 0.01 0.00 0.00 0.00 99.35 0.01 71 I E E 43.32 19.95 15.41 34.57 121.99 -156.22 -121.92 127.50 0.74 99.25 0.01 0.70 0.03 0.00 0.00 0.00 0.00 99.24 0.03 72 V E E 55.83 9.20 20.95 31.08 119.38 -166.89 -116.58 126.35 7.10 92.88 0.02 6.98 0.20 0.01 0.01 0.01 0.00 92.50 0.29 73 V C C 37.24 15.45 14.88 30.75 115.60 -160.11 -104.71 121.34 93.78 5.89 0.33 93.40 0.75 0.08 0.17 0.06 0.00 5.38 0.16 74 P H H 58.44 8.06 16.16 25.59 103.44 -124.49 -64.29 149.43 31.66 1.34 67.00 12.16 4.44 14.32 46.56 21.20 0.04 0.97 0.31 75 D H H 85.29 4.52 18.05 22.88 95.37 39.08 -67.99 -23.93 22.51 0.37 77.12 5.89 3.13 11.89 54.35 24.36 0.03 0.21 0.14 76 L H H 47.31 12.72 13.02 26.38 93.01 64.99 -68.11 -30.95 10.94 0.18 88.88 3.59 1.49 4.85 61.85 28.05 0.01 0.11 0.05 77 L H H 63.95 12.52 12.86 25.67 92.61 58.59 -65.91 -35.32 12.33 0.29 87.37 3.72 1.83 5.98 63.24 24.93 0.03 0.16 0.10 78 K H H 149.53 1.71 17.18 18.76 92.15 54.91 -70.56 -25.63 25.26 0.41 74.33 3.41 3.15 16.92 51.77 24.16 0.15 0.21 0.23 79 N C T 88.68 5.21 14.63 20.93 100.20 41.35 -102.92 5.03 51.11 0.56 48.33 10.59 8.01 31.76 30.60 18.25 0.08 0.24 0.46 80 A H H 29.59 14.98 10.08 25.06 105.42 118.90 -65.57 -36.36 45.81 0.39 53.79 26.91 8.52 9.97 28.63 25.56 0.00 0.15 0.25 81 P H G 78.91 3.52 16.55 20.65 94.14 53.29 -64.80 -28.43 28.85 0.34 70.80 5.88 3.34 17.68 36.02 36.73 0.03 0.19 0.15 82 L H H 82.70 5.78 14.83 21.94 94.01 59.29 -70.03 -26.71 23.33 0.88 75.79 5.27 3.26 13.37 39.87 37.32 0.10 0.56 0.26 83 F H H 69.04 13.10 10.89 24.10 97.23 58.00 -79.76 -16.64 34.27 4.18 61.55 15.67 7.84 11.99 37.56 22.89 0.19 2.30 1.55 84 K C C 122.67 5.25 13.38 20.00 102.56 69.17 -81.58 2.24 56.22 6.11 37.67 32.21 11.97 13.38 28.49 8.16 0.12 3.12 2.56 85 K C C 143.51 2.48 12.98 16.49 105.27 75.03 -83.32 26.39 67.17 3.70 29.13 36.33 14.30 16.95 22.30 6.62 0.05 1.82 1.63 86 N C C 99.04 5.11 11.13 17.74 107.37 35.80 -96.29 81.90 75.80 2.46 21.73 40.77 15.12 20.24 13.71 7.68 0.02 1.13 1.33 87 S C C 69.91 5.65 10.26 17.57 106.94 172.79 -82.22 53.36 85.12 1.48 13.41 37.65 19.85 28.39 5.24 7.36 0.00 0.68 0.82 88 S C C 86.32 2.49 11.67 15.54 103.97 64.95 -88.01 28.65 89.95 1.81 8.24 42.11 22.47 25.72 2.11 5.80 0.00 0.87 0.91 89 R C C 133.92 5.04 10.23 17.26 116.84 111.71 -91.37 136.48 96.65 2.26 1.09 57.36 37.57 2.03 0.34 0.65 0.00 0.93 1.12 90 P C C 91.86 4.04 11.16 17.10 114.02 -108.34 -68.14 148.08 96.97 2.13 0.91 83.02 11.01 2.88 0.22 0.65 0.00 0.99 1.23 91 M C C 117.26 5.75 10.17 17.81 116.46 -113.47 -85.83 137.46 97.86 1.93 0.21 82.92 14.41 0.47 0.08 0.11 0.00 0.68 1.32 92 P C C 80.01 4.69 11.22 17.81 116.31 -104.26 -67.00 152.29 98.81 0.57 0.62 92.04 5.89 0.96 0.17 0.41 0.00 0.28 0.26 93 P C C 101.59 3.20 11.43 16.40 111.82 -99.53 -67.42 145.11 93.25 2.22 4.53 69.85 14.13 8.82 0.84 4.05 0.00 1.25 1.07 94 I C C 113.13 5.41 8.24 15.47 112.47 -129.61 -89.95 129.68 86.47 8.93 4.60 62.18 14.09 9.25 1.06 3.81 0.00 5.13 4.48 95 R C C 175.39 1.87 9.82 13.17 111.87 -158.34 -98.04 114.93 87.73 8.32 3.95 60.71 19.80 6.91 1.08 2.89 0.00 4.91 3.68 96 G C C 42.54 3.92 9.38 15.10 126.96 -9.91 138.85 177.46 95.65 3.25 1.10 56.60 34.84 4.35 0.29 0.82 0.00 1.92 1.18 97 P C C 106.79 2.05 10.20 13.52 112.56 -64.04 -72.38 146.85 93.58 2.49 3.94 56.85 20.86 15.50 0.67 3.72 0.00 1.58 0.81 98 K C C 155.60 2.08 7.92 11.90 110.91 -111.20 -82.16 135.99 89.91 5.39 4.70 59.59 16.53 13.35 0.90 4.29 0.00 3.54 1.80 99 R C C 171.38 2.27 7.43 11.64 113.04 -130.84 -88.66 130.15 91.28 5.98 2.74 85.19 2.33 4.13 0.73 1.63 0.00 3.84 2.16 100 R C C 177.16 1.96 9.83 13.39 110.99 -133.88 -88.57 127.81 99.77 0.21 0.03 99.74 0.08 0.05 0.01 0.00 0.00 0.10 0.03