# 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 63.84 13.45 14.52 28.21 122.42 -164.14 -107.82 137.67 98.88 1.11 0.01 98.78 0.24 0.04 0.00 0.00 0.00 0.87 0.06 1 E E B 98.39 6.25 13.99 21.86 125.92 -164.52 -117.88 146.18 10.13 89.74 0.13 8.95 0.35 0.03 0.14 0.02 0.00 18.96 71.56 2 N C C 55.78 8.48 9.72 19.75 123.64 -132.15 -84.40 174.03 91.39 8.40 0.21 91.12 0.90 0.31 0.05 0.10 0.00 5.85 1.67 3 D C T 129.78 1.19 10.98 12.95 92.12 -88.68 -66.35 -17.71 96.45 1.80 1.74 1.57 5.99 88.88 0.08 1.80 0.00 1.43 0.25 4 K C T 153.63 1.20 11.33 12.58 93.92 53.91 -88.82 1.92 97.98 0.24 1.78 0.48 4.41 93.17 0.06 1.68 0.00 0.13 0.06 5 G C S 43.42 4.77 11.25 17.74 97.40 -102.49 85.45 5.94 97.90 0.97 1.13 10.89 81.91 5.33 0.08 0.90 0.00 0.58 0.30 6 Q C C 92.06 4.75 12.85 19.44 117.72 137.17 -89.69 139.59 91.36 8.35 0.30 77.80 12.62 0.98 0.12 0.20 0.00 5.14 3.14 7 L E B 79.16 9.16 13.34 23.92 113.40 -121.77 -84.66 128.99 16.06 83.58 0.35 12.61 1.38 0.15 0.31 0.09 0.00 23.86 61.59 8 V C C 49.55 12.11 14.02 27.20 119.76 -167.91 -109.83 134.66 72.73 26.73 0.54 66.31 4.20 0.75 0.18 0.35 0.00 26.49 1.70 9 E C C 95.99 9.11 17.46 27.22 116.36 -139.35 -100.04 127.18 67.93 31.15 0.93 54.45 10.95 1.98 0.29 0.69 0.00 29.11 2.52 10 L C C 60.14 13.89 15.61 29.62 114.02 -160.34 -100.36 125.83 58.11 40.73 1.16 45.44 10.22 2.36 0.39 0.86 0.00 36.80 3.92 11 Y C E 103.13 10.70 18.13 29.12 117.90 -158.94 -105.00 129.17 50.42 48.96 0.61 39.17 9.53 1.34 0.27 0.45 0.00 41.85 7.39 12 V C C 44.90 13.90 16.26 30.67 120.61 -168.71 -114.92 126.19 59.24 40.60 0.16 49.93 9.16 0.35 0.07 0.12 0.00 37.31 3.06 13 P C C 52.46 10.34 17.26 28.63 113.04 -113.10 -66.69 144.48 67.40 31.30 1.30 61.25 3.94 1.21 0.61 0.68 0.00 29.36 2.95 14 R C C 117.66 10.28 15.02 25.76 101.50 -135.23 -75.33 -23.01 64.02 17.67 18.30 36.68 19.26 9.14 9.50 8.55 0.23 12.28 4.35 15 K C C 127.73 4.11 17.64 22.56 109.20 60.04 -85.09 104.30 52.70 25.34 21.96 27.24 16.89 10.36 11.22 10.07 0.70 17.08 6.43 16 C C C 43.67 12.11 12.29 25.09 110.33 -124.34 -86.74 112.95 51.02 25.97 23.01 33.24 9.94 7.42 12.25 10.88 0.28 15.73 10.26 17 S C C 48.09 9.57 13.12 23.62 110.58 85.04 -84.28 141.45 61.60 15.34 23.07 35.04 12.00 15.04 11.97 10.45 0.25 8.80 6.45 18 A C T 76.07 4.77 14.03 19.69 96.09 -76.35 -71.84 -21.06 76.31 3.14 20.55 9.25 19.11 48.16 9.74 10.06 0.14 1.88 1.66 19 T C T 81.94 4.20 14.11 19.34 98.85 48.95 -92.63 2.32 82.33 2.34 15.33 9.63 21.12 52.09 6.76 7.72 0.05 1.34 1.30 20 N C C 100.20 6.90 13.06 21.27 97.47 -118.75 60.55 31.93 89.03 6.32 4.66 35.32 31.29 23.11 1.19 3.21 0.00 3.83 2.04 21 R C C 123.95 6.28 14.59 22.33 117.89 139.90 -100.83 138.76 79.23 18.52 2.26 55.32 18.51 5.41 0.84 1.57 0.00 14.38 3.97 22 I C C 91.43 8.62 15.53 24.96 112.97 -120.54 -87.40 126.49 56.80 41.66 1.54 43.09 10.63 2.08 0.81 0.96 0.01 31.96 10.46 23 I C C 43.98 15.60 11.57 27.37 118.75 -156.47 -103.80 133.23 50.98 48.08 0.94 43.65 4.46 0.67 0.67 0.45 0.00 37.94 12.16 24 K C C 111.81 4.23 18.29 23.12 121.18 -144.44 -91.70 152.52 73.88 24.91 1.21 67.18 4.66 1.21 0.60 0.65 0.00 21.75 3.95 25 A C T 62.40 9.99 10.98 21.68 94.99 -110.62 -62.71 -27.48 74.00 5.20 20.80 22.19 19.42 34.04 4.64 14.79 0.05 3.20 1.67 26 K C T 163.37 1.12 16.21 16.50 94.91 56.71 -77.32 -11.23 77.64 2.99 19.37 14.93 22.33 41.46 3.74 14.52 0.03 1.69 1.28 27 D C C 71.81 7.94 12.99 22.09 104.64 60.85 -97.05 28.87 73.37 5.30 21.33 28.75 23.93 22.19 3.70 16.39 0.02 2.67 2.35 28 H C C 91.48 11.88 13.89 25.57 101.78 -138.20 -80.66 3.18 63.66 6.38 29.96 29.98 13.64 21.14 3.34 26.22 0.01 3.82 1.86 29 S C T 55.94 8.46 16.80 26.03 97.10 72.41 -78.33 -11.99 65.34 6.99 27.67 17.18 20.44 28.46 1.80 25.82 0.02 5.19 1.09 30 S C C 45.17 10.78 17.80 28.99 109.38 61.56 -95.13 82.05 49.55 25.35 25.10 24.29 10.91 16.24 1.68 22.51 0.01 23.44 0.92 31 V E E 34.12 16.36 16.01 32.60 120.57 104.56 -107.94 134.00 22.11 77.35 0.54 18.67 3.15 0.46 0.16 0.35 0.00 76.15 1.05 32 Q E E 82.73 10.57 20.81 31.75 120.77 -154.54 -112.50 130.33 4.90 95.03 0.07 4.61 0.28 0.04 0.05 0.03 0.00 94.17 0.83 33 I E E 40.09 17.71 17.17 34.75 121.86 -166.65 -117.80 131.43 6.45 93.51 0.04 6.14 0.32 0.03 0.02 0.02 0.00 93.15 0.31 34 N E E 67.66 10.15 21.55 32.09 111.48 -136.84 -88.87 121.04 11.29 88.66 0.05 10.70 0.49 0.06 0.01 0.02 0.00 88.23 0.49 35 I E E 36.34 17.97 18.00 35.78 101.12 175.40 -96.80 -23.41 18.09 81.62 0.29 12.67 5.82 0.75 0.08 0.20 0.00 79.51 0.97 36 A E E 19.67 14.73 18.38 33.57 137.85 5.26 -148.65 158.52 18.80 81.01 0.20 13.18 5.70 0.70 0.04 0.15 0.00 79.61 0.63 37 Q E E 92.65 6.92 21.22 28.63 116.81 -122.43 -97.64 133.03 15.78 84.13 0.09 12.99 2.44 0.29 0.01 0.07 0.00 83.86 0.34 38 V E E 36.32 15.10 10.81 26.38 123.69 -153.42 -113.51 141.89 6.84 93.11 0.05 5.95 0.41 0.02 0.05 0.01 0.00 68.17 25.38 39 D C C 58.94 4.52 13.32 19.50 123.72 -126.69 -79.94 172.66 97.01 2.96 0.04 97.32 0.35 0.07 0.01 0.01 0.00 1.87 0.38 40 E C T 167.06 1.18 10.74 12.85 90.26 -88.28 -63.51 -20.66 99.53 0.17 0.30 0.34 3.71 95.54 0.01 0.25 0.00 0.12 0.02 41 E C T 155.96 0.59 12.18 11.40 93.06 54.34 -87.76 1.49 99.64 0.07 0.29 0.23 3.71 95.75 0.01 0.25 0.00 0.04 0.02 42 G C S 39.69 7.39 10.15 19.00 96.13 -105.06 84.25 7.29 99.16 0.51 0.33 14.24 83.63 1.46 0.03 0.23 0.00 0.23 0.18 43 R C C 131.61 2.79 14.65 18.74 118.40 137.22 -86.22 144.16 97.68 2.23 0.09 87.84 9.27 0.65 0.02 0.06 0.00 1.35 0.80 44 A E B 51.97 10.52 12.03 23.50 114.85 -110.08 -73.83 139.76 7.75 92.18 0.07 5.90 0.73 0.04 0.07 0.01 0.00 36.16 57.10 45 I C C 56.22 10.99 11.49 23.99 112.59 -128.32 -86.87 126.17 59.21 40.68 0.10 56.09 2.51 0.24 0.02 0.09 0.00 39.64 1.42 46 P C E 101.56 3.23 14.21 18.97 111.13 -113.42 -67.92 138.94 60.69 37.85 1.45 22.22 17.20 22.74 0.14 1.41 0.00 35.22 1.07 47 G C S 55.31 2.54 15.01 18.09 100.12 20.07 85.79 -2.94 67.89 30.45 1.66 12.94 29.59 25.74 0.10 1.60 0.00 29.19 0.85 48 E C C 102.96 6.15 14.52 21.94 114.04 99.35 -97.96 134.34 61.37 37.64 0.99 42.41 15.43 2.94 0.09 1.07 0.00 37.35 0.72 49 Y E E 103.75 12.87 13.65 26.59 120.92 -155.85 -110.56 136.21 25.59 74.30 0.12 21.73 2.83 0.32 0.02 0.10 0.00 74.52 0.49 50 V E E 48.53 11.86 18.29 31.07 124.28 -170.49 -121.71 137.74 2.85 97.14 0.00 2.61 0.12 0.01 0.00 0.00 0.00 97.16 0.10 51 T E E 48.28 14.24 19.64 33.87 120.11 -147.87 -106.79 132.34 0.96 99.04 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.04 0.03 52 Y E E 29.33 18.31 20.98 39.20 128.68 -172.39 -129.24 142.36 1.27 98.73 0.00 1.20 0.03 0.00 0.00 0.00 0.00 98.71 0.05 53 A E E 19.47 17.19 24.74 41.66 118.02 -136.79 -98.24 133.75 4.61 95.38 0.01 4.23 0.20 0.01 0.00 0.00 0.00 95.45 0.10 54 L E E 10.40 22.53 21.75 43.81 120.76 -161.10 -111.05 135.43 18.18 81.77 0.04 17.57 0.46 0.03 0.02 0.02 0.00 79.55 2.36 55 S C C 16.56 15.83 21.49 37.37 125.50 -146.01 -91.64 163.66 79.30 20.44 0.26 78.18 1.48 0.12 0.17 0.06 0.00 18.85 1.13 56 G H H 28.15 10.08 20.91 31.56 93.33 -95.51 -57.56 -42.00 5.00 0.03 94.97 0.56 1.04 3.34 94.02 1.00 0.02 0.01 0.01 57 Y H H 108.92 5.31 22.38 27.96 91.61 51.11 -64.80 -39.80 1.23 0.01 98.76 0.12 0.12 0.94 97.98 0.83 0.00 0.00 0.00 58 I H H 13.48 17.90 15.10 33.68 92.07 50.37 -65.06 -42.26 0.62 0.01 99.37 0.09 0.06 0.43 98.33 1.09 0.00 0.01 0.00 59 R H H 78.45 14.18 15.09 29.16 91.75 51.19 -63.29 -41.22 1.00 0.01 99.00 0.12 0.07 0.72 98.14 0.95 0.00 0.00 0.00 60 A H H 78.79 2.64 17.26 20.49 90.91 53.62 -66.11 -29.96 10.85 0.01 89.13 0.27 0.37 10.48 87.97 0.89 0.01 0.00 0.01 61 R C T 143.22 3.29 15.82 19.83 93.75 50.63 -87.30 -2.14 74.12 0.04 25.84 0.45 1.61 70.91 26.22 0.77 0.00 0.01 0.03 62 G C T 47.80 5.03 15.57 22.01 95.67 -110.30 79.88 11.10 98.91 0.09 0.99 3.41 5.55 90.07 0.71 0.18 0.00 0.04 0.04 63 E C C 87.68 8.50 17.09 26.51 103.06 122.35 -92.95 19.49 95.54 0.73 3.73 80.77 10.62 3.98 2.90 0.85 0.00 0.26 0.62 64 A C C 23.26 18.33 14.63 32.08 98.46 95.85 -79.82 -29.50 78.19 0.56 21.26 64.33 7.73 4.93 20.59 1.87 0.00 0.19 0.35 65 D H H 73.81 9.62 20.23 29.89 93.18 67.47 -64.86 -41.26 14.92 0.10 84.98 7.77 3.02 4.75 82.35 2.02 0.01 0.03 0.05 66 D H H 84.22 3.37 23.65 26.44 92.58 49.32 -66.55 -40.47 5.41 0.04 94.56 1.71 0.74 2.89 92.33 2.30 0.01 0.01 0.01 67 S H H 23.03 12.53 20.13 33.34 92.26 50.97 -64.86 -42.42 3.38 0.03 96.59 1.10 0.41 1.81 94.19 2.45 0.01 0.02 0.01 68 L H H 17.60 20.86 19.00 39.25 92.00 50.11 -64.10 -42.69 1.95 0.02 98.03 0.50 0.24 1.11 97.13 0.98 0.00 0.01 0.01 69 N H H 60.90 9.70 22.27 32.21 91.64 50.88 -63.82 -41.60 2.19 0.03 97.78 0.70 0.27 1.21 97.38 0.41 0.00 0.01 0.01 70 R H H 114.42 3.75 24.24 27.59 91.56 50.11 -64.32 -42.29 0.85 0.01 99.14 0.21 0.08 0.47 99.03 0.20 0.00 0.00 0.00 71 L H H 23.81 14.03 19.52 34.51 91.87 49.59 -64.25 -43.13 0.30 0.00 99.70 0.06 0.03 0.17 99.61 0.13 0.00 0.00 0.00 72 A H H 9.83 16.50 15.50 33.08 91.87 50.05 -63.74 -42.68 0.33 0.00 99.66 0.06 0.02 0.20 99.57 0.15 0.00 0.00 0.00 73 Q H H 103.27 4.20 17.84 22.92 92.42 48.78 -65.12 -41.49 0.66 0.00 99.34 0.07 0.03 0.48 99.15 0.26 0.00 0.00 0.00 74 Q H H 122.79 2.74 17.21 20.42 92.09 50.37 -66.75 -34.75 3.52 0.01 96.47 0.07 0.09 3.43 96.12 0.28 0.00 0.00 0.00 75 D C T 70.22 8.29 13.63 23.12 93.54 47.49 -88.95 -3.23 73.73 0.02 26.24 0.30 0.86 71.64 26.72 0.45 0.00 0.01 0.02 76 G C T 49.22 3.39 16.95 21.18 94.49 -113.34 79.45 11.09 99.02 0.02 0.97 1.28 1.71 96.19 0.68 0.12 0.00 0.01 0.01 77 L C S 53.91 11.57 14.23 26.93 96.00 121.48 -75.54 -26.40 92.60 1.10 6.29 27.66 45.07 19.74 3.30 3.02 0.00 0.42 0.79 78 L C S 33.93 18.30 12.04 29.40 105.13 38.39 -110.85 37.87 75.72 7.98 16.30 23.67 27.00 25.46 7.23 7.99 0.36 3.24 5.04 79 K C T 124.39 5.11 16.11 22.75 108.01 119.11 -67.48 91.80 60.80 3.53 35.66 18.19 10.77 32.34 11.05 24.09 0.07 2.08 1.42 80 N C T 117.86 2.76 17.09 20.24 96.83 18.06 31.90 23.24 60.30 2.59 37.12 15.09 11.52 34.22 11.46 25.03 0.10 1.45 1.13 81 V C G 55.04 13.35 11.66 25.15 104.61 119.18 -86.50 11.65 56.85 4.74 38.42 20.85 14.77 22.43 13.14 24.17 0.15 2.55 1.95 82 W C C 124.22 9.15 12.87 22.87 115.32 53.44 -106.36 121.37 60.82 10.41 28.78 28.50 16.09 17.47 12.69 15.09 0.25 5.67 4.25 83 S C C 65.92 5.44 12.86 19.88 117.17 -162.36 -104.35 133.78 71.07 9.63 19.30 48.23 12.45 10.34 8.90 10.47 0.02 6.37 3.23 84 Y C C 138.94 6.72 9.32 17.50 109.63 -155.38 -95.78 103.36 75.72 7.83 16.44 37.26 17.89 21.97 6.51 9.11 0.04 5.04 2.17 85 S C C 83.30 2.63 9.56 14.02 112.50 137.63 -94.34 121.86 87.04 3.98 8.98 69.75 2.37 16.14 3.84 3.74 0.00 2.89 1.27 86 R C C 162.75 3.69 10.76 16.48 111.97 -146.35 -92.17 123.74 99.80 0.16 0.04 99.72 0.09 0.06 0.02 0.00 0.00 0.09 0.02