# 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 A C C 75.51 4.10 10.51 16.41 117.52 -169.39 -101.43 134.83 99.85 0.13 0.02 99.77 0.09 0.05 0.01 0.00 0.00 0.07 0.01 1 Q C C 135.86 2.43 9.25 13.58 117.13 -154.45 -105.08 132.80 88.24 9.00 2.76 85.34 1.07 2.45 1.11 0.99 0.00 7.45 1.59 2 R C C 164.03 2.77 8.36 13.16 119.21 -157.22 -106.33 136.16 75.75 20.01 4.24 61.86 9.55 3.74 1.92 2.34 0.00 16.83 3.75 3 V C C 94.27 5.83 7.92 15.46 116.97 -144.67 -98.68 131.22 72.82 23.29 3.89 62.83 6.68 2.43 1.71 2.02 0.00 21.37 2.96 4 T C C 91.57 3.45 11.03 16.20 119.31 -163.70 -111.00 135.56 72.96 23.22 3.82 60.58 8.59 2.92 1.60 2.09 0.00 21.49 2.73 5 F C C 131.28 5.77 9.15 16.66 118.21 -148.96 -103.30 131.96 75.59 21.24 3.17 61.87 10.06 2.79 1.38 1.86 0.00 18.41 3.63 6 R C C 147.27 4.08 10.38 16.38 119.36 -162.79 -108.59 135.97 83.17 14.80 2.02 69.60 10.32 2.69 0.78 1.22 0.00 12.86 2.54 7 R C C 160.76 3.63 10.34 15.90 114.90 -131.99 -90.52 134.16 87.88 10.45 1.67 72.49 11.84 3.27 0.56 1.14 0.00 8.14 2.57 8 R C C 147.57 4.89 9.67 16.38 114.61 -139.74 -91.49 136.59 92.07 7.15 0.78 73.52 16.77 1.76 0.28 0.51 0.00 3.93 3.22 9 N C C 94.42 4.73 10.47 16.84 115.01 -110.19 -87.13 137.15 96.61 2.05 1.34 77.54 15.27 3.60 0.29 1.21 0.00 1.10 0.98 10 P C T 99.71 3.49 11.85 16.81 96.73 -122.84 -68.96 -17.80 94.63 0.92 4.45 31.59 22.73 39.98 0.58 4.25 0.00 0.49 0.37 11 Y C T 131.03 6.29 11.07 18.68 102.95 61.14 -92.67 14.80 90.57 3.75 5.68 34.62 20.27 35.89 0.92 4.79 0.00 1.72 1.78 12 N C C 82.51 8.13 11.11 20.48 108.85 115.87 -91.40 102.25 92.16 4.10 3.75 65.93 19.71 5.98 0.91 3.11 0.00 2.05 2.33 13 T C C 57.00 7.24 11.90 20.87 126.20 153.87 -118.58 156.52 88.23 7.51 4.26 60.76 22.04 4.66 1.60 2.64 0.00 2.80 5.50 14 R C G 171.95 3.17 13.74 18.22 94.62 -124.93 -70.65 -19.25 59.71 2.27 38.02 12.19 16.57 32.11 3.21 33.73 0.02 1.24 0.94 15 S C T 68.52 4.64 14.18 20.01 94.72 66.20 -79.49 -13.23 59.18 2.58 38.23 10.94 13.59 35.39 2.75 34.93 0.01 1.61 0.80 16 N C G 61.13 11.81 11.86 24.27 105.52 67.36 -94.99 52.46 52.03 8.49 39.48 25.57 13.89 15.10 3.25 34.56 0.01 6.37 1.24 17 K C C 98.47 7.22 16.11 24.41 114.77 133.23 -88.42 134.23 60.18 36.56 3.27 46.23 10.28 3.48 0.70 2.48 0.00 35.39 1.45 18 I E E 77.52 11.21 13.47 25.47 122.36 -156.14 -111.90 134.49 10.69 89.25 0.06 9.95 0.62 0.07 0.02 0.03 0.00 88.94 0.36 19 K E E 88.42 7.51 15.97 24.97 125.23 -170.62 -122.46 141.79 1.44 98.55 0.01 1.37 0.05 0.01 0.00 0.00 0.00 98.54 0.04 20 V E E 78.36 7.75 14.00 23.30 116.59 -136.82 -100.11 128.32 0.85 99.15 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.14 0.02 21 V E E 50.40 9.02 12.37 23.41 125.02 -173.07 -122.13 141.56 1.39 98.61 0.00 1.32 0.04 0.00 0.00 0.00 0.00 98.60 0.03 22 K E E 140.60 2.83 13.14 17.51 114.47 -128.06 -91.08 126.36 6.99 92.99 0.01 6.58 0.31 0.02 0.00 0.00 0.00 92.62 0.46 23 T C C 44.56 9.37 7.15 17.70 123.16 -153.41 -92.66 161.61 94.32 5.63 0.05 93.80 0.85 0.10 0.01 0.02 0.00 4.85 0.36 24 P C T 120.53 1.09 10.32 11.87 102.60 -93.74 -63.13 110.71 95.95 0.89 3.16 1.44 6.16 87.80 0.08 3.72 0.00 0.64 0.17 25 G C T 64.57 0.61 10.13 10.12 96.42 34.53 -22.68 0.62 95.98 0.19 3.83 0.69 4.98 89.55 0.08 4.52 0.00 0.11 0.06 26 G C S 53.72 2.16 10.05 13.52 98.31 -98.78 88.47 4.12 95.12 1.39 3.49 15.50 71.15 8.43 0.21 3.41 0.00 0.84 0.46 27 I C C 97.07 3.09 10.43 15.36 116.86 135.16 -85.67 139.05 86.76 13.13 0.11 82.59 3.78 0.27 0.03 0.07 0.00 12.15 1.11 28 L E E 92.73 6.85 10.32 19.00 116.45 -133.02 -95.14 131.77 3.34 96.65 0.01 3.12 0.14 0.01 0.00 0.00 0.00 96.52 0.21 29 R E E 107.34 6.54 14.10 22.42 124.52 -169.93 -119.77 140.76 0.66 99.33 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.35 0.01 30 A E E 50.35 10.33 12.80 24.40 119.55 -144.89 -105.48 133.11 0.47 99.53 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 31 Q E E 71.12 8.52 15.49 25.58 122.81 -167.26 -117.85 136.54 0.99 99.01 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.02 32 H E E 88.05 10.04 13.89 25.12 119.02 -147.75 -107.01 132.26 4.18 95.82 0.01 3.87 0.17 0.01 0.00 0.00 0.00 95.78 0.15 33 V E E 52.15 9.75 14.35 25.82 119.24 -163.04 -112.42 131.16 24.91 74.99 0.09 23.76 1.07 0.13 0.04 0.06 0.00 73.66 1.29 34 K C C 119.90 6.85 14.22 22.66 115.99 -140.28 -91.40 133.94 63.32 36.39 0.29 54.54 7.06 0.71 0.08 0.23 0.00 35.69 1.69 35 K C C 107.14 7.57 13.16 22.01 119.19 -143.38 -99.00 142.12 84.54 14.87 0.59 73.23 9.62 1.46 0.15 0.50 0.00 12.29 2.75 36 L C C 108.90 5.10 14.56 21.16 114.03 -113.05 -77.11 139.08 91.80 7.59 0.61 83.97 6.21 1.68 0.15 0.50 0.00 5.30 2.18 37 A C C 42.58 13.27 10.06 23.51 115.89 -111.64 -72.88 147.85 94.74 4.80 0.45 80.32 11.87 2.69 0.08 0.47 0.00 3.22 1.35 38 T C C 94.07 3.60 17.47 22.02 116.88 -143.97 -102.04 144.20 90.09 9.65 0.26 73.55 15.68 0.97 0.07 0.24 0.00 3.63 5.86 39 R C C 126.94 8.28 17.18 26.22 116.39 -98.96 -83.23 138.53 94.84 5.12 0.04 77.00 18.10 0.21 0.01 0.04 0.00 3.38 1.25 40 P C C 30.51 17.92 13.89 31.71 113.30 -110.55 -67.88 146.08 96.10 3.86 0.05 89.17 6.76 0.30 0.01 0.05 0.00 3.27 0.44 41 K E B 103.28 6.29 22.98 30.10 127.50 -149.20 -120.37 148.87 11.80 88.15 0.05 9.37 0.37 0.01 0.05 0.00 0.00 12.00 78.20 42 C C C 11.72 20.65 13.28 34.31 111.83 -109.80 -71.35 135.17 83.96 16.00 0.05 84.85 0.75 0.09 0.02 0.02 0.00 11.18 3.09 43 G C T 32.40 9.27 18.71 29.04 94.32 -140.16 -67.76 -29.26 99.77 0.10 0.13 0.55 6.68 92.56 0.00 0.12 0.00 0.06 0.03 44 D C T 80.85 7.84 18.03 26.46 100.22 41.79 -86.33 -39.31 99.80 0.06 0.14 0.11 3.62 96.10 0.00 0.12 0.00 0.03 0.01 45 C C T 60.33 7.33 15.58 24.13 102.66 17.60 -107.63 -13.58 99.73 0.10 0.17 0.33 5.38 94.06 0.01 0.15 0.00 0.05 0.03 46 G C C 43.38 6.17 15.29 23.00 96.10 -123.06 80.83 5.73 99.27 0.62 0.11 79.50 16.96 2.73 0.02 0.10 0.00 0.28 0.41 47 S C C 50.23 5.90 16.80 24.24 119.84 138.75 -76.98 147.41 96.84 3.10 0.06 85.11 11.74 0.25 0.02 0.04 0.00 1.85 0.98 48 A E B 63.87 7.15 18.99 26.96 114.58 -103.12 -68.26 143.54 6.83 93.08 0.09 4.82 0.29 0.03 0.09 0.01 0.00 10.22 84.54 49 L C C 15.09 22.69 10.58 32.80 110.56 -129.18 -89.24 121.51 93.52 6.16 0.32 92.36 1.33 0.37 0.05 0.24 0.00 4.50 1.15 50 Q C T 127.79 3.15 19.42 23.58 112.74 -136.07 -71.13 137.07 94.74 3.35 1.91 14.64 13.31 66.53 0.26 1.88 0.00 2.52 0.86 51 G C T 52.68 3.76 18.32 22.16 95.86 19.51 84.97 -2.27 96.68 1.60 1.72 10.64 14.54 71.15 0.21 1.83 0.00 1.24 0.39 52 I C C 26.96 20.21 9.80 29.21 112.88 116.26 -94.28 117.89 89.70 7.15 3.15 75.62 11.20 1.99 0.75 2.75 0.00 3.25 4.44 53 S C C 70.57 4.57 20.00 24.90 99.60 -134.51 -73.08 -22.26 75.91 5.95 18.15 41.38 17.60 16.08 1.91 17.55 0.00 3.56 1.90 54 T C C 69.94 9.84 17.15 27.23 113.26 25.29 -100.39 114.02 73.25 7.76 18.99 35.38 18.40 19.57 2.11 17.41 0.02 4.53 2.59 55 L C C 37.79 17.29 11.48 28.38 116.69 107.97 -96.49 135.61 81.02 9.16 9.82 59.84 15.18 4.36 2.86 7.44 0.01 4.03 6.29 56 R C C 111.66 4.50 18.67 23.51 117.46 -127.09 -80.43 147.38 97.21 1.38 1.41 82.60 13.67 0.83 1.10 0.32 0.00 0.51 0.97 57 P H H 72.42 9.70 12.14 22.90 92.77 -111.39 -57.91 -37.90 24.18 0.34 75.48 3.86 3.47 15.29 55.11 21.80 0.12 0.17 0.17 58 R H H 165.79 1.50 15.65 17.06 92.13 53.05 -65.34 -34.14 19.12 0.20 80.68 2.05 1.92 13.00 57.07 25.68 0.08 0.11 0.09 59 Q H H 89.52 5.63 15.14 21.89 94.09 48.62 -71.88 -34.54 15.32 0.33 84.35 2.65 1.93 9.16 59.78 26.09 0.07 0.20 0.11 60 Y H H 54.39 16.65 10.96 26.87 94.45 50.69 -73.34 -30.70 18.99 0.65 80.35 5.78 3.12 9.59 59.37 21.43 0.08 0.36 0.25 61 A C T 62.51 6.74 14.38 22.50 92.77 68.28 -68.22 -20.10 51.27 0.82 47.91 8.36 6.11 35.45 32.93 16.07 0.15 0.42 0.53 62 T C T 104.00 1.67 17.45 18.50 97.32 53.97 -93.63 -2.47 64.26 0.98 34.76 13.45 9.31 40.99 20.75 14.27 0.06 0.50 0.66 63 V C C 37.65 15.80 8.25 23.68 115.88 105.66 -80.62 138.94 88.65 1.84 9.52 51.28 32.92 4.40 7.03 2.27 0.00 0.51 1.59 64 S C C 56.54 3.62 16.73 20.75 118.76 -136.33 -90.13 153.65 92.35 2.33 5.32 83.41 6.16 2.48 3.54 1.48 0.00 0.81 2.13 65 K C T 124.64 8.40 11.36 20.97 92.78 -117.17 -61.50 -30.19 54.76 1.00 44.24 9.05 10.45 35.62 9.35 34.30 0.04 0.50 0.69 66 T C T 104.61 1.94 14.62 17.04 92.81 60.82 -71.50 -21.47 57.11 0.55 42.34 5.90 9.12 41.62 8.93 33.69 0.02 0.28 0.43 67 H C G 125.15 4.03 14.55 19.58 98.68 47.17 -97.40 -2.53 53.52 1.68 44.80 13.72 12.91 28.41 9.13 33.94 0.04 0.86 0.98 68 K C C 75.32 14.73 11.78 26.01 109.98 95.66 -85.21 112.55 85.06 3.70 11.24 61.96 18.59 4.35 7.48 3.56 0.01 1.40 2.65 69 T C C 65.26 7.68 18.85 27.10 122.66 147.99 -112.46 145.79 81.28 12.11 6.61 66.30 10.34 2.66 4.71 2.15 0.01 4.62 9.20 70 V C C 41.67 17.15 13.00 29.58 108.19 -130.84 -89.19 99.75 82.32 8.91 8.77 60.65 15.41 5.63 5.44 3.45 0.01 4.43 4.98 71 S C C 76.07 4.77 18.05 23.70 101.27 135.47 -93.22 -6.70 86.46 6.76 6.78 60.46 19.71 5.92 3.78 2.96 0.01 3.13 4.04 72 R C S 106.87 7.29 15.06 23.58 123.88 86.93 -100.02 152.12 77.49 7.49 15.02 33.43 34.66 9.40 7.03 6.63 0.14 2.48 6.24 73 A C T 65.07 8.05 14.75 23.78 94.46 -109.89 -64.54 -29.43 78.82 1.03 20.15 4.83 12.63 60.94 5.00 15.31 0.02 0.57 0.70 74 Y C T 125.62 7.68 14.95 23.46 98.64 41.68 -93.12 7.50 79.69 1.35 18.95 5.10 12.05 62.05 4.19 15.01 0.02 0.79 0.80 75 G C C 32.03 10.35 14.82 25.55 108.49 -111.90 76.35 -0.36 79.75 5.62 14.63 30.04 24.18 26.04 4.67 9.16 0.07 2.34 3.50 76 G C C 34.49 8.51 15.77 25.02 115.71 -21.99 87.67 -166.74 82.58 5.09 12.33 33.49 24.72 25.06 3.45 8.30 0.01 2.27 2.69 77 S C S 66.28 7.39 16.58 24.53 99.77 -54.35 -78.65 -15.50 73.36 6.73 19.91 18.74 31.88 24.53 6.58 11.45 0.11 3.61 3.10 78 R C S 134.23 5.85 17.89 24.55 98.95 66.92 -75.19 -25.22 62.95 15.82 21.24 18.78 26.41 18.86 9.65 9.70 0.68 7.28 8.64 79 C C C 36.07 13.09 15.48 29.01 101.87 43.40 -96.96 14.00 74.28 8.76 16.96 55.81 8.29 8.85 11.99 5.41 0.01 3.96 5.68 80 A H H 35.78 12.50 16.22 29.30 93.79 95.98 -62.52 -39.87 8.91 0.08 91.02 3.57 1.79 4.08 88.76 1.72 0.01 0.03 0.03 81 N H H 96.43 3.13 22.48 25.39 92.31 52.81 -65.85 -39.02 4.26 0.03 95.71 0.91 0.57 2.76 94.25 1.47 0.01 0.01 0.01 82 C H H 33.55 8.54 19.23 29.15 92.30 50.60 -65.46 -41.99 2.53 0.04 97.43 0.87 0.33 1.35 96.02 1.41 0.00 0.02 0.01 83 V H H 20.66 16.30 16.88 33.81 92.07 50.29 -64.49 -42.78 1.10 0.03 98.88 0.53 0.15 0.45 98.53 0.32 0.00 0.01 0.01 84 K H H 93.53 8.31 20.34 28.72 91.68 51.08 -63.51 -41.86 0.89 0.01 99.10 0.37 0.10 0.40 98.96 0.15 0.00 0.01 0.00 85 E H H 101.06 3.40 21.46 24.59 91.95 49.79 -65.16 -40.89 0.78 0.01 99.22 0.29 0.10 0.36 99.14 0.10 0.00 0.00 0.00 86 R H H 94.71 8.80 19.16 28.41 92.21 49.75 -65.55 -40.60 0.54 0.00 99.46 0.20 0.06 0.24 99.43 0.06 0.00 0.00 0.00 87 I H H 49.79 12.48 17.44 30.11 92.26 48.87 -65.03 -42.45 0.39 0.01 99.61 0.15 0.04 0.17 99.59 0.05 0.00 0.00 0.00 88 I H H 77.99 5.69 19.34 25.47 91.84 49.27 -63.92 -42.30 0.39 0.01 99.61 0.15 0.03 0.17 99.58 0.05 0.00 0.00 0.00 89 R H H 124.65 3.07 20.07 23.03 91.95 49.13 -64.94 -41.37 0.43 0.00 99.56 0.08 0.03 0.26 99.54 0.08 0.00 0.00 0.00 90 A H H 32.70 8.23 17.03 26.67 91.92 50.18 -64.87 -41.70 0.82 0.00 99.18 0.08 0.05 0.60 99.14 0.14 0.00 0.00 0.00 91 F H H 78.64 8.55 17.47 26.46 92.43 48.87 -65.41 -41.01 2.17 0.00 97.82 0.23 0.15 1.62 97.76 0.23 0.00 0.00 0.00 92 L H H 84.03 3.90 18.35 22.46 92.00 49.95 -65.08 -41.08 3.26 0.02 96.72 0.54 0.30 2.25 96.59 0.30 0.00 0.01 0.01 93 I H H 83.80 3.17 18.41 21.67 92.15 49.20 -65.10 -42.04 2.28 0.01 97.70 0.63 0.28 1.25 97.58 0.23 0.00 0.00 0.01 94 E H H 79.34 6.50 17.10 24.26 91.82 49.36 -64.85 -41.41 1.23 0.00 98.76 0.35 0.11 0.65 98.71 0.18 0.00 0.00 0.00 95 E H H 83.04 6.56 16.50 23.79 91.90 50.21 -64.69 -40.40 0.75 0.00 99.25 0.16 0.06 0.42 99.23 0.13 0.00 0.00 0.00 96 Q H H 94.52 3.11 17.58 20.81 91.91 51.13 -64.69 -40.60 0.47 0.00 99.53 0.07 0.02 0.27 99.55 0.08 0.00 0.00 0.00 97 K H H 108.90 2.81 17.99 20.66 92.09 50.37 -65.25 -41.05 0.61 0.00 99.39 0.09 0.03 0.38 99.43 0.08 0.00 0.00 0.00 98 I H H 68.72 5.70 16.35 22.85 92.11 49.29 -64.70 -42.24 0.44 0.00 99.56 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 99 V H H 69.02 4.63 16.41 21.64 91.84 49.63 -64.13 -42.12 0.30 0.00 99.70 0.06 0.02 0.15 99.72 0.05 0.00 0.00 0.00 100 K H H 113.24 2.28 17.63 19.61 91.73 49.98 -64.34 -41.02 0.33 0.00 99.67 0.05 0.02 0.19 99.68 0.05 0.00 0.00 0.00 101 K H H 109.75 2.74 17.35 20.05 92.03 50.03 -64.96 -41.15 0.35 0.00 99.64 0.05 0.02 0.22 99.67 0.05 0.00 0.00 0.00 102 V H H 63.69 4.85 15.81 21.34 91.92 49.50 -64.24 -42.49 0.35 0.00 99.65 0.06 0.02 0.18 99.69 0.04 0.00 0.00 0.00 103 V H H 74.84 3.02 16.37 19.64 91.60 49.37 -63.87 -41.85 0.40 0.00 99.60 0.08 0.02 0.20 99.64 0.04 0.00 0.00 0.00 104 K H H 115.70 1.90 16.66 18.08 91.73 49.98 -64.28 -41.12 0.45 0.00 99.55 0.07 0.03 0.25 99.60 0.05 0.00 0.00 0.00 105 E H H 100.20 2.76 15.92 18.83 92.09 49.82 -64.93 -40.72 0.49 0.00 99.51 0.07 0.03 0.27 99.56 0.06 0.00 0.00 0.00 106 Q H H 101.94 2.69 15.86 18.59 91.96 49.85 -65.36 -40.45 0.61 0.00 99.38 0.10 0.04 0.34 99.45 0.07 0.00 0.00 0.00 107 T H H 75.40 1.96 15.72 17.36 91.95 49.66 -64.92 -41.15 0.73 0.00 99.27 0.13 0.05 0.39 99.34 0.08 0.00 0.00 0.00 108 E H H 104.51 1.92 15.80 17.42 91.90 50.18 -64.53 -41.17 0.67 0.00 99.33 0.12 0.05 0.35 99.38 0.09 0.00 0.00 0.00 109 A H H 55.20 2.42 14.81 17.55 91.58 50.11 -64.23 -41.13 0.85 0.00 99.14 0.15 0.06 0.47 99.19 0.12 0.00 0.00 0.00 110 A H H 58.99 1.99 14.82 16.87 91.68 50.15 -64.54 -41.01 1.35 0.01 98.64 0.25 0.11 0.76 98.70 0.17 0.00 0.00 0.00 111 K H H 118.69 1.63 14.75 16.00 92.06 49.74 -65.10 -40.66 2.37 0.01 97.62 0.56 0.23 1.31 97.63 0.26 0.00 0.01 0.00 112 K H H 117.41 1.76 14.27 15.94 92.10 49.86 -65.07 -40.55 3.47 0.03 96.50 0.99 0.40 1.83 96.32 0.44 0.00 0.01 0.01 113 S H H 62.13 1.79 13.47 15.37 91.82 50.36 -64.91 -40.27 5.90 0.05 94.05 1.76 0.71 3.16 93.58 0.75 0.01 0.02 0.01 114 E H H 112.78 1.48 12.89 14.27 92.15 50.33 -65.79 -39.20 9.30 0.08 90.63 2.96 1.26 4.86 89.60 1.24 0.01 0.03 0.03 115 K H H 123.38 1.54 11.42 13.35 92.55 51.39 -66.16 -38.74 14.71 0.16 85.13 5.52 2.27 7.02 83.11 1.93 0.01 0.07 0.07 116 K H H 138.01 1.29 10.53 12.19 93.48 52.11 -67.50 -35.62 22.41 0.29 77.30 8.44 3.42 11.14 73.97 2.75 0.02 0.13 0.14 117 A H H 84.22 1.13 9.13 10.76 94.30 54.57 -70.01 -28.26 39.02 0.45 60.53 13.50 5.34 21.07 56.80 2.84 0.03 0.18 0.25 118 K C C 156.90 1.12 8.55 10.34 98.08 59.30 -80.31 -10.07 65.63 0.45 33.93 38.72 1.67 23.57 33.69 1.90 0.00 0.19 0.26 119 K C C 151.28 1.99 10.26 13.59 104.43 91.67 -77.54 60.51 99.89 0.03 0.08 99.65 0.11 0.16 0.06 0.00 0.00 0.01 0.00