# 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 73.18 11.89 13.64 26.10 123.54 -165.34 -109.55 139.72 99.27 0.72 0.01 99.22 0.20 0.04 0.00 0.00 0.00 0.49 0.04 1 Q E B 98.70 5.46 12.84 20.05 123.46 -164.31 -114.14 142.21 13.51 86.28 0.22 11.87 0.50 0.05 0.23 0.03 0.00 19.68 67.64 2 N C C 64.44 7.79 8.93 18.21 121.72 -138.93 -88.57 172.62 85.54 14.01 0.44 83.49 1.74 0.66 0.14 0.24 0.00 10.67 3.07 3 D C T 128.98 1.13 10.28 12.08 93.99 -90.85 -68.96 -17.64 94.76 3.09 2.15 3.17 9.06 82.55 0.14 2.11 0.00 2.52 0.45 4 A C T 83.01 1.51 9.96 12.15 95.04 54.99 -87.77 -0.59 97.55 0.36 2.08 1.06 6.96 89.61 0.10 1.94 0.00 0.21 0.11 5 G C S 50.68 2.88 10.87 15.22 98.00 -102.74 84.13 6.36 97.35 1.39 1.26 12.45 78.55 6.53 0.11 1.05 0.00 0.82 0.49 6 E C C 105.24 3.86 10.88 16.79 119.48 133.23 -90.87 142.17 91.26 8.38 0.36 72.82 17.08 1.51 0.11 0.28 0.00 5.33 2.87 7 F E B 123.84 6.06 11.60 19.50 116.95 -134.57 -97.85 131.99 23.37 76.19 0.45 17.93 2.88 0.31 0.37 0.14 0.00 23.98 54.38 8 V C C 61.37 9.84 11.58 22.89 121.12 -164.13 -113.18 134.70 74.09 25.60 0.30 67.37 4.76 0.70 0.10 0.23 0.00 24.15 2.70 9 D C C 84.15 6.38 14.59 22.38 112.13 -135.29 -91.01 121.58 80.18 19.31 0.51 69.73 8.08 1.62 0.16 0.40 0.00 16.54 3.47 10 L C C 84.82 10.04 12.86 23.74 102.30 -166.81 -89.48 1.93 81.80 17.06 1.14 43.05 30.62 9.14 0.28 0.98 0.00 12.65 3.28 11 Y C C 128.54 6.93 15.32 23.26 107.11 97.98 -94.16 71.36 75.47 23.63 0.90 38.60 31.23 7.15 0.25 0.79 0.00 15.59 6.38 12 V C C 60.62 10.55 12.60 24.31 115.95 137.24 -105.75 118.61 80.83 18.89 0.28 54.63 26.55 0.83 0.11 0.20 0.00 14.36 3.31 13 P C C 65.35 7.41 14.71 23.61 111.60 -116.38 -66.65 142.77 82.57 14.12 3.31 74.52 4.96 2.53 1.03 2.28 0.00 11.19 3.49 14 R C G 143.34 6.91 12.85 21.14 96.96 -129.77 -66.96 -21.95 58.95 7.44 33.60 22.91 19.06 19.67 4.70 26.81 0.06 4.69 2.10 15 K C G 141.44 2.68 15.43 19.00 98.50 65.01 -77.78 -11.98 50.73 13.78 35.49 17.98 16.48 20.74 5.64 26.45 0.24 9.20 3.26 16 C C C 58.95 9.60 12.14 22.76 104.44 58.23 -92.22 15.98 48.63 19.20 32.17 28.06 11.93 10.96 6.30 24.22 0.24 11.90 6.40 17 S C C 37.45 11.62 10.59 22.98 116.84 92.94 -97.38 141.27 68.54 25.53 5.94 52.74 9.61 4.19 3.07 3.06 0.03 11.70 15.62 18 A C T 85.16 2.96 14.31 18.30 96.43 -138.01 -74.55 -16.09 88.09 3.15 8.75 10.59 22.30 55.74 2.49 5.56 0.02 1.96 1.34 19 S C T 74.30 3.41 13.84 18.21 102.23 59.57 -92.31 3.59 90.32 1.98 7.70 7.81 27.21 56.04 1.85 5.00 0.01 1.17 0.90 20 N C S 91.14 8.39 11.76 21.08 105.02 -117.59 -85.79 53.36 89.15 5.20 5.65 37.74 38.47 13.34 1.30 4.11 0.01 2.78 2.27 21 R C C 138.38 4.79 14.39 20.79 115.13 -126.81 -103.25 127.76 84.54 13.27 2.18 65.16 13.97 4.77 0.79 1.51 0.00 8.41 5.38 22 I C C 90.09 8.87 12.54 22.48 113.38 -133.66 -92.60 121.95 67.63 30.90 1.48 56.29 8.66 1.86 0.77 0.83 0.01 16.72 14.85 23 I C C 78.80 8.44 11.64 21.49 119.24 -162.22 -109.53 132.77 68.11 29.92 1.97 48.80 15.07 3.15 1.10 1.16 0.04 19.40 11.29 24 G C C 36.82 4.89 12.94 19.10 124.72 -152.63 -102.48 169.94 75.16 20.36 4.48 45.49 21.17 9.19 1.64 2.89 0.05 11.92 7.65 25 A C T 83.38 3.42 10.90 15.89 96.41 -86.53 -67.65 -24.19 83.59 2.32 14.09 8.67 23.02 52.48 2.60 10.65 0.02 1.31 1.25 26 K C T 164.32 1.14 13.33 14.13 99.01 46.07 -86.69 -5.40 84.13 2.50 13.38 7.77 21.23 55.40 2.17 10.67 0.02 1.46 1.27 27 D C S 82.49 6.45 11.56 19.26 111.53 54.20 -104.05 95.45 67.48 19.40 13.12 23.79 24.75 21.01 2.91 8.99 0.30 10.23 8.02 28 H C C 93.88 8.93 12.67 22.48 113.72 -138.76 -96.62 123.84 66.43 22.55 11.02 42.59 11.96 11.68 3.08 8.00 0.06 13.43 9.21 29 A C C 51.49 9.66 14.52 25.02 100.94 -138.19 -77.11 -13.78 75.30 13.51 11.19 36.99 21.96 17.88 1.67 9.19 0.02 10.05 2.24 30 S C C 52.12 9.43 16.55 26.56 119.96 64.71 -104.80 134.14 60.58 30.51 8.90 35.50 14.49 12.01 1.14 7.37 0.02 27.86 1.61 31 I E E 60.97 11.73 16.00 28.67 121.24 -159.98 -112.81 132.55 24.04 75.34 0.62 20.43 3.33 0.54 0.19 0.44 0.00 73.60 1.47 32 Q E E 91.39 9.73 16.92 27.54 121.13 -157.40 -110.13 133.06 8.08 91.85 0.07 7.65 0.40 0.05 0.04 0.03 0.00 90.22 1.61 33 M E E 62.73 12.72 15.63 29.15 125.33 -171.27 -121.09 138.65 11.95 88.01 0.04 11.31 0.53 0.04 0.01 0.02 0.00 87.36 0.73 34 N E E 80.72 7.91 18.26 27.17 111.24 -127.99 -85.58 121.53 14.10 85.87 0.03 13.06 0.77 0.06 0.01 0.02 0.00 85.51 0.59 35 V E E 44.73 14.12 15.52 30.07 102.11 176.03 -100.41 -16.21 14.63 85.25 0.11 12.32 2.16 0.23 0.03 0.08 0.00 84.51 0.68 36 A E E 27.72 12.01 15.83 28.94 136.74 9.19 -142.57 157.73 9.65 90.28 0.07 8.00 1.43 0.14 0.02 0.05 0.00 90.06 0.30 37 E E E 109.38 4.94 19.18 24.98 117.71 -123.34 -97.47 134.93 5.15 94.82 0.03 4.37 0.65 0.08 0.01 0.02 0.00 94.66 0.21 38 V E E 48.78 13.33 10.06 24.05 120.72 -155.01 -109.30 134.55 4.77 95.20 0.03 4.31 0.41 0.03 0.03 0.01 0.00 85.91 9.30 39 D C C 65.56 4.64 12.02 18.86 108.33 -123.18 -78.87 119.80 85.98 13.99 0.03 86.58 0.43 0.07 0.01 0.01 0.00 12.29 0.60 40 K C T 151.96 2.88 10.23 15.34 92.89 -154.31 -66.53 -26.55 99.73 0.07 0.20 0.22 3.17 96.40 0.01 0.15 0.00 0.04 0.01 41 V C T 131.85 0.45 11.80 10.71 97.99 46.44 -77.47 -38.86 99.73 0.06 0.20 0.11 2.60 97.10 0.00 0.15 0.00 0.03 0.02 42 T C T 89.77 1.53 12.01 13.54 100.13 23.12 -103.71 -14.94 99.81 0.05 0.14 0.46 3.11 96.28 0.01 0.11 0.00 0.03 0.01 43 G C C 34.47 8.13 9.92 19.83 95.22 -122.41 77.10 8.91 99.30 0.50 0.20 76.87 8.05 14.39 0.05 0.15 0.00 0.35 0.15 44 R C C 127.60 2.96 15.52 19.68 119.58 138.34 -85.51 144.63 72.33 27.59 0.08 65.10 7.05 0.30 0.03 0.07 0.00 21.29 6.17 45 F E E 85.79 13.06 9.58 22.89 112.03 -111.81 -76.21 131.06 3.63 96.35 0.02 3.18 0.20 0.01 0.02 0.01 0.00 71.03 25.55 46 N E E 95.87 4.12 15.30 20.44 101.73 -170.34 -95.73 3.16 35.62 64.27 0.12 28.27 5.42 0.77 0.01 0.12 0.00 64.96 0.45 47 G E E 49.88 3.71 14.21 19.10 98.25 -99.12 84.18 1.28 44.32 55.49 0.20 10.65 29.80 3.23 0.01 0.21 0.00 55.77 0.33 48 Q E E 106.08 4.29 15.66 21.28 117.98 99.13 -99.95 133.28 35.06 64.64 0.30 23.88 8.50 1.72 0.03 0.29 0.00 65.27 0.32 49 F E E 89.73 14.22 12.05 26.08 126.44 -166.66 -123.09 142.49 15.70 84.27 0.04 13.44 1.59 0.08 0.01 0.02 0.00 84.59 0.27 50 K E E 92.05 8.38 19.46 28.61 127.20 -168.47 -125.26 141.99 2.03 97.97 0.00 1.89 0.07 0.00 0.00 0.00 0.00 97.98 0.06 51 T E E 54.18 14.34 17.98 32.19 121.05 -139.01 -101.67 136.84 1.19 98.80 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.81 0.03 52 Y E E 33.56 17.06 20.19 37.43 131.81 -175.14 -133.73 148.79 1.91 98.08 0.00 1.74 0.07 0.00 0.00 0.00 0.00 98.11 0.08 53 A E E 22.92 15.98 24.13 40.04 119.10 -138.54 -103.51 135.27 4.44 95.55 0.01 4.06 0.19 0.01 0.00 0.00 0.00 95.60 0.12 54 I E E 10.47 22.08 21.08 43.01 122.86 -166.24 -116.47 137.47 13.01 86.96 0.03 12.81 0.31 0.02 0.01 0.01 0.00 84.85 1.99 55 C C C 19.07 15.77 21.17 37.11 119.82 -125.93 -83.20 156.56 69.76 29.92 0.31 69.75 1.01 0.10 0.22 0.07 0.00 27.53 1.31 56 G H H 26.80 10.09 20.77 31.64 92.97 -112.69 -58.68 -38.51 5.98 0.04 93.98 0.65 1.08 4.25 91.32 2.63 0.03 0.02 0.01 57 A H H 46.30 5.88 21.99 28.54 91.58 53.69 -64.12 -37.71 2.02 0.02 97.96 0.20 0.20 1.57 95.21 2.81 0.01 0.01 0.00 58 I H H 14.25 18.95 15.13 34.34 92.12 50.84 -66.65 -40.73 1.07 0.02 98.91 0.16 0.12 0.73 95.10 3.88 0.00 0.01 0.00 59 R H H 83.13 14.59 15.03 29.27 91.60 53.76 -63.22 -40.00 2.35 0.03 97.62 0.38 0.23 1.62 94.06 3.68 0.01 0.02 0.01 60 R H H 172.49 1.60 17.89 19.30 91.28 53.78 -66.82 -30.17 16.38 0.06 83.56 0.74 0.90 15.05 80.01 3.20 0.05 0.03 0.03 61 M C T 108.11 4.65 15.22 20.82 94.03 52.76 -86.28 -4.53 62.83 0.12 37.05 1.10 3.01 57.84 35.87 2.01 0.03 0.04 0.11 62 G C T 46.60 4.61 16.91 22.59 97.92 -108.50 83.27 8.16 98.69 0.33 0.98 8.90 10.23 79.71 0.61 0.25 0.00 0.15 0.13 63 E C C 78.61 10.65 16.50 27.71 102.24 118.65 -94.58 29.32 97.18 0.87 1.94 89.70 5.20 2.38 1.28 0.48 0.00 0.35 0.61 64 S C C 27.72 17.65 15.83 32.61 97.31 112.58 -71.06 -39.78 77.09 0.80 22.11 62.23 7.98 5.22 22.20 1.60 0.00 0.26 0.50 65 D H H 72.05 11.11 20.75 31.45 93.25 54.54 -65.89 -38.86 15.93 0.14 83.93 4.66 3.90 7.88 81.49 1.92 0.03 0.05 0.08 66 D H H 76.10 4.46 23.87 28.10 92.61 51.52 -66.43 -39.69 6.21 0.04 93.75 1.80 0.88 3.38 92.33 1.58 0.01 0.01 0.02 67 S H H 15.38 15.11 19.66 35.30 92.06 51.36 -64.39 -43.03 2.32 0.02 97.66 0.92 0.31 1.09 96.54 1.13 0.00 0.01 0.01 68 I H H 16.51 21.23 19.98 40.55 91.86 49.72 -64.26 -42.89 0.61 0.00 99.39 0.14 0.06 0.33 99.21 0.25 0.00 0.00 0.00 69 L H H 62.16 9.99 22.40 32.69 91.62 50.13 -63.95 -42.03 0.37 0.00 99.63 0.07 0.03 0.21 99.59 0.11 0.00 0.00 0.00 70 R H H 112.65 4.39 24.16 28.32 91.60 50.20 -63.97 -42.46 0.28 0.00 99.71 0.05 0.02 0.17 99.69 0.07 0.00 0.00 0.00 71 L H H 23.17 15.25 19.31 35.17 91.95 49.64 -64.06 -43.28 0.16 0.00 99.84 0.02 0.01 0.11 99.81 0.06 0.00 0.00 0.00 72 A H H 10.86 16.19 15.75 33.03 91.76 50.27 -63.39 -42.68 0.19 0.00 99.81 0.02 0.01 0.13 99.76 0.08 0.00 0.00 0.00 73 K H H 121.55 3.51 18.12 22.38 91.99 48.87 -64.23 -41.40 0.38 0.00 99.61 0.03 0.01 0.31 99.44 0.21 0.00 0.00 0.00 74 A H H 72.65 3.79 16.63 21.19 91.38 51.73 -65.68 -32.56 2.85 0.00 97.14 0.04 0.06 2.94 96.69 0.27 0.00 0.00 0.00 75 D C T 68.06 8.67 13.25 23.18 93.53 48.17 -90.57 0.96 77.99 0.02 22.00 0.21 0.67 76.15 22.60 0.35 0.00 0.00 0.01 76 G C T 56.68 2.03 16.68 19.03 94.29 -115.67 75.33 16.17 99.80 0.01 0.19 0.58 1.45 97.86 0.08 0.02 0.00 0.00 0.00 77 I C S 61.13 10.99 14.38 26.39 97.31 121.42 -84.03 -24.81 98.76 1.06 0.17 16.57 79.80 2.63 0.09 0.07 0.00 0.46 0.37 78 V C S 34.55 15.99 11.19 27.20 128.33 33.98 -128.64 142.53 85.42 14.20 0.38 16.69 67.27 2.97 0.17 0.19 0.00 6.36 6.35 79 S C C 66.46 4.49 14.55 20.39 117.09 -125.89 -83.45 150.09 92.44 7.27 0.29 84.75 6.69 1.21 0.09 0.20 0.00 5.48 1.57 80 K C C 143.83 4.86 10.79 17.70 107.23 -118.49 -80.95 113.12 95.53 4.28 0.18 93.79 1.43 0.75 0.05 0.08 0.00 2.48 1.42 81 N C C 117.56 2.78 12.78 16.88 106.06 88.25 -89.16 96.62 99.91 0.09 0.01 99.78 0.12 0.04 0.00 0.00 0.00 0.04 0.01