# 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 78.38 11.04 13.40 25.18 123.04 -164.69 -110.14 139.34 99.47 0.51 0.01 99.44 0.16 0.04 0.00 0.00 0.00 0.32 0.04 1 Q E B 100.97 5.26 12.49 19.49 122.28 -161.57 -110.94 141.02 21.59 77.99 0.43 18.84 0.80 0.12 0.39 0.07 0.00 16.87 62.92 2 N C C 66.63 7.97 8.71 18.04 119.60 -139.84 -86.97 169.47 86.25 12.82 0.93 82.66 2.38 1.29 0.31 0.51 0.00 9.38 3.47 3 D C T 128.04 1.18 10.29 12.19 93.85 -92.66 -69.68 -16.18 93.32 3.29 3.40 4.18 10.21 78.91 0.30 3.20 0.00 2.58 0.62 4 A C T 82.28 1.65 10.02 12.44 95.71 55.36 -87.68 -0.64 96.41 0.45 3.14 1.35 7.89 87.28 0.19 2.85 0.00 0.26 0.17 5 G C S 50.33 3.00 10.98 15.47 98.34 -103.37 84.53 5.97 96.55 1.91 1.55 13.89 75.65 7.18 0.15 1.30 0.00 1.14 0.69 6 E C C 105.70 4.06 10.94 17.06 119.13 134.64 -91.99 141.36 90.47 9.15 0.38 72.81 16.21 1.51 0.13 0.29 0.00 5.99 3.06 7 F E B 122.59 6.06 11.86 19.72 116.49 -136.49 -98.58 130.46 28.48 70.98 0.55 22.68 3.22 0.43 0.43 0.21 0.00 27.86 45.18 8 V C C 61.68 10.19 11.58 23.12 119.95 -163.40 -109.31 134.39 69.91 29.72 0.38 63.31 4.47 0.74 0.14 0.26 0.00 28.19 2.89 9 D C C 82.74 6.49 14.51 22.38 113.47 -145.36 -95.88 121.50 72.21 27.15 0.64 62.33 7.20 1.60 0.22 0.49 0.00 23.81 4.35 10 L C C 85.92 9.66 12.77 23.34 101.77 -163.67 -89.57 1.77 75.25 23.24 1.51 41.13 25.32 10.23 0.38 1.27 0.01 18.21 3.45 11 Y C C 135.17 6.36 14.70 22.09 104.22 84.50 -93.75 31.47 75.05 23.89 1.07 33.75 33.52 9.39 0.26 0.94 0.01 17.57 4.56 12 V C C 66.27 8.85 12.60 22.98 117.27 104.28 -105.25 124.99 77.27 22.41 0.31 42.71 34.87 1.24 0.11 0.24 0.00 17.38 3.45 13 P C C 73.11 6.98 14.58 22.99 111.94 -114.13 -66.96 141.85 81.42 16.73 1.85 69.62 7.80 3.13 0.51 1.45 0.00 14.33 3.16 14 R C C 131.65 8.66 12.46 22.01 103.21 -140.69 -78.83 -1.82 73.41 15.74 10.86 40.45 21.59 12.34 2.70 8.06 0.07 10.08 4.71 15 K C C 134.84 3.58 15.51 20.18 105.42 75.57 -84.66 21.42 65.23 23.32 11.45 31.69 22.05 13.63 2.92 8.16 0.18 15.30 6.09 16 C C C 64.40 9.09 12.27 22.37 108.40 52.05 -95.90 62.46 62.41 28.03 9.56 39.97 14.40 7.82 3.02 6.73 0.12 17.52 10.41 17 S C C 39.83 10.49 10.64 22.23 120.17 104.97 -99.96 144.41 72.16 24.39 3.45 57.25 9.26 3.74 1.63 2.02 0.01 13.59 12.50 18 A C T 85.90 3.05 13.73 17.79 95.79 -131.59 -74.12 -16.84 90.23 3.39 6.38 10.51 23.78 56.33 1.72 4.26 0.01 2.16 1.23 19 S C T 74.83 3.33 13.20 17.50 101.21 59.32 -90.48 2.40 91.86 2.03 6.11 8.40 27.51 56.40 1.49 4.14 0.01 1.20 0.86 20 N C S 94.66 7.54 11.35 20.00 101.89 -116.69 -68.91 33.48 88.35 6.05 5.60 33.61 42.12 12.99 1.57 3.79 0.01 3.27 2.64 21 R C C 141.54 4.43 13.77 19.79 113.06 145.85 -95.83 120.88 82.09 14.64 3.27 59.11 16.99 5.42 1.61 1.87 0.01 9.29 5.70 22 I C C 94.70 7.85 12.63 21.66 108.18 -116.88 -87.71 101.04 64.95 31.93 3.12 50.98 10.58 2.53 2.05 1.37 0.03 16.39 16.06 23 I C C 76.33 9.44 11.11 21.69 117.16 88.94 -102.64 131.11 72.74 23.76 3.50 52.20 15.82 3.85 2.19 1.66 0.05 15.66 8.57 24 A C C 62.31 4.38 13.34 18.93 119.77 -146.53 -95.45 157.88 77.07 17.21 5.72 51.05 18.26 7.82 2.64 3.18 0.04 9.90 7.11 25 A C T 76.15 4.62 10.81 17.08 100.64 -98.88 -67.86 -21.79 77.42 3.18 19.40 13.27 19.98 44.97 4.29 14.07 0.05 1.77 1.60 26 K C T 159.42 1.60 13.80 15.45 98.95 43.62 -81.76 -2.72 78.73 2.69 18.58 11.15 19.29 48.64 3.46 14.52 0.03 1.52 1.38 27 D C C 82.41 6.62 12.32 20.16 108.78 56.80 -99.33 63.17 70.39 11.12 18.49 26.68 23.66 22.37 3.66 13.04 0.13 5.55 4.92 28 H C C 91.72 9.83 12.67 23.23 111.62 108.09 -94.50 104.77 69.54 16.16 14.30 42.79 13.02 13.94 3.51 10.65 0.04 9.41 6.64 29 A C C 52.32 9.49 15.21 25.52 100.89 -139.22 -78.45 -8.82 74.60 12.20 13.21 31.39 24.41 20.73 1.85 10.72 0.03 8.71 2.17 30 S C C 50.90 9.30 17.12 26.96 114.94 56.48 -101.04 129.77 58.39 30.69 10.92 32.19 13.95 14.14 1.40 9.01 0.03 27.76 1.54 31 I E E 57.23 13.47 15.52 29.51 119.90 -158.36 -108.20 132.23 27.20 72.21 0.59 23.16 3.60 0.57 0.17 0.42 0.00 70.88 1.22 32 Q E E 87.42 9.37 18.09 28.28 121.70 -157.01 -111.55 133.80 7.74 92.19 0.07 7.24 0.45 0.05 0.04 0.03 0.00 90.86 1.32 33 M E E 61.75 13.98 15.55 29.95 124.09 -166.90 -117.33 137.41 8.38 91.59 0.03 7.95 0.36 0.03 0.01 0.02 0.00 91.10 0.52 34 N E E 72.64 8.92 18.58 28.39 114.71 -145.65 -96.44 124.87 9.03 90.95 0.02 8.13 0.65 0.05 0.01 0.01 0.00 90.81 0.33 35 V E E 52.28 13.22 16.20 29.79 106.21 -171.10 -104.49 23.06 8.31 91.63 0.06 7.33 0.84 0.09 0.02 0.04 0.00 91.17 0.50 36 A E E 28.01 12.44 15.61 29.08 133.52 25.34 -135.66 154.43 8.82 91.13 0.05 7.29 1.30 0.10 0.01 0.03 0.00 91.05 0.23 37 E E E 108.06 5.09 19.94 25.73 116.65 -123.24 -95.60 133.41 5.08 94.89 0.03 4.15 0.77 0.08 0.00 0.02 0.00 94.83 0.14 38 V E E 43.66 14.78 10.05 25.13 121.58 -156.32 -111.33 136.40 3.63 96.35 0.03 3.28 0.34 0.02 0.02 0.01 0.00 87.48 8.84 39 D C C 66.51 4.57 12.78 19.43 108.11 -120.09 -78.39 119.41 81.68 18.29 0.03 82.36 0.47 0.07 0.01 0.01 0.00 16.34 0.74 40 R C T 168.11 3.41 10.34 16.09 92.88 -153.91 -65.13 -26.72 99.65 0.09 0.26 0.20 2.67 96.85 0.01 0.20 0.00 0.05 0.02 41 S C T 99.18 0.42 12.21 10.90 96.55 47.90 -76.10 -37.57 99.66 0.07 0.27 0.11 2.23 97.41 0.01 0.20 0.00 0.03 0.02 42 T C T 89.12 1.65 12.40 14.09 100.38 22.66 -104.48 -14.95 99.76 0.05 0.19 0.42 3.00 96.37 0.01 0.16 0.00 0.03 0.01 43 G C C 32.58 8.90 10.11 20.66 95.14 -121.23 78.06 8.56 99.33 0.44 0.23 74.01 8.10 17.23 0.05 0.16 0.00 0.30 0.14 44 R C C 127.16 3.07 16.11 20.35 119.24 138.58 -84.84 144.45 71.72 28.20 0.08 64.37 7.23 0.28 0.03 0.07 0.00 22.14 5.89 45 F E E 82.68 13.63 9.87 23.70 112.04 -111.96 -75.70 130.66 3.31 96.67 0.02 2.93 0.17 0.01 0.02 0.00 0.00 71.24 25.61 46 N E E 91.51 4.61 15.37 21.10 101.34 -168.38 -95.22 -0.86 36.33 63.56 0.12 30.27 4.17 0.61 0.01 0.12 0.00 64.28 0.52 47 G E E 49.87 4.09 14.16 19.49 97.93 -105.24 82.81 2.39 46.61 53.04 0.35 12.33 29.52 4.29 0.01 0.40 0.00 53.03 0.41 48 Q E E 109.53 3.92 16.14 21.26 116.80 103.66 -97.73 131.26 41.72 57.80 0.47 24.88 12.89 3.06 0.04 0.48 0.00 58.24 0.41 49 F E E 86.82 14.64 12.02 26.35 124.32 -162.35 -119.25 141.28 22.95 76.99 0.06 19.35 2.72 0.15 0.01 0.05 0.00 77.34 0.39 50 K E E 92.24 8.70 19.59 29.01 126.83 -169.70 -125.09 141.12 3.49 96.51 0.00 3.24 0.13 0.01 0.00 0.00 0.00 96.51 0.12 51 T E E 53.90 14.98 18.15 32.82 122.45 -148.26 -107.14 136.79 1.50 98.50 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.49 0.06 52 Y E E 36.07 16.90 20.83 37.80 132.24 -173.60 -134.93 148.21 2.03 97.97 0.00 1.87 0.08 0.00 0.00 0.00 0.00 97.92 0.12 53 G E E 14.48 16.28 24.31 40.39 120.35 -137.11 -102.32 138.31 6.24 93.75 0.01 5.59 0.41 0.02 0.00 0.00 0.00 93.79 0.19 54 I E E 10.08 22.59 20.69 43.17 123.55 -165.45 -119.61 136.40 18.05 81.90 0.05 17.20 0.57 0.04 0.03 0.02 0.00 78.65 3.48 55 C C C 22.97 14.76 21.40 36.28 122.17 -133.44 -87.44 160.76 79.74 19.82 0.44 79.19 1.27 0.14 0.36 0.09 0.00 17.56 1.39 56 G H H 29.82 9.37 20.74 30.74 93.20 -102.63 -58.55 -40.20 5.24 0.03 94.74 0.58 0.97 3.68 92.53 2.19 0.02 0.01 0.01 57 A H H 49.33 5.42 21.90 27.80 91.56 51.86 -64.69 -38.04 1.81 0.02 98.17 0.17 0.19 1.41 95.92 2.28 0.01 0.01 0.00 58 I H H 15.10 18.98 14.90 34.05 92.22 50.65 -66.58 -40.92 1.02 0.01 98.96 0.15 0.11 0.71 96.01 3.02 0.00 0.01 0.00 59 R H H 80.78 14.97 14.78 29.37 91.57 53.33 -63.33 -40.23 2.22 0.03 97.75 0.33 0.22 1.56 95.01 2.84 0.01 0.02 0.01 60 R H H 174.13 1.49 18.05 19.19 91.21 52.81 -67.15 -30.59 15.97 0.06 83.97 0.70 0.87 14.73 81.05 2.54 0.05 0.03 0.03 61 M C T 108.69 4.57 15.64 21.09 94.43 52.44 -86.23 -5.28 62.81 0.12 37.07 1.09 3.15 57.53 36.28 1.76 0.03 0.04 0.11 62 G C T 44.52 5.45 17.03 23.65 97.48 -109.89 82.72 9.43 98.58 0.35 1.07 9.92 10.15 78.68 0.68 0.27 0.00 0.16 0.14 63 E C C 76.67 11.23 17.36 28.99 102.53 121.75 -92.76 33.69 96.80 0.94 2.26 89.14 5.35 2.37 1.59 0.51 0.00 0.37 0.67 64 S C C 23.72 18.84 16.68 34.56 99.25 97.46 -76.82 -39.08 82.42 0.75 16.82 70.80 6.39 3.99 16.81 1.28 0.00 0.26 0.47 65 D H H 64.58 13.69 21.03 33.68 93.38 55.87 -65.13 -38.76 13.94 0.11 85.95 5.63 3.34 5.29 84.37 1.26 0.01 0.03 0.05 66 D H H 76.66 4.54 24.98 29.46 92.40 52.56 -65.73 -40.11 3.55 0.01 96.44 1.06 0.48 1.81 95.76 0.88 0.00 0.01 0.00 67 S H H 14.67 15.62 20.87 36.81 91.99 51.13 -64.43 -42.70 1.47 0.01 98.52 0.49 0.17 0.74 97.76 0.84 0.00 0.00 0.00 68 I H H 8.47 23.74 20.80 43.80 91.54 49.47 -63.99 -43.05 0.38 0.00 99.62 0.08 0.03 0.22 99.49 0.18 0.00 0.00 0.00 69 L H H 52.28 12.22 22.99 35.20 91.54 50.42 -63.55 -42.24 0.16 0.00 99.84 0.03 0.01 0.09 99.81 0.06 0.00 0.00 0.00 70 R H H 111.60 4.44 25.43 29.73 91.61 50.07 -63.87 -42.55 0.16 0.00 99.84 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 71 L H H 18.85 16.25 20.20 36.96 91.81 49.19 -63.99 -43.31 0.14 0.00 99.86 0.01 0.01 0.10 99.82 0.05 0.00 0.00 0.00 72 A H H 6.89 18.87 16.10 35.68 91.65 49.98 -63.27 -43.24 0.21 0.00 99.79 0.03 0.01 0.14 99.73 0.09 0.00 0.00 0.00 73 K H H 116.03 4.53 18.67 24.09 91.98 48.60 -64.00 -41.56 0.41 0.00 99.59 0.03 0.02 0.33 99.41 0.22 0.00 0.00 0.00 74 A H H 73.67 3.66 17.43 21.80 91.20 51.77 -65.65 -32.71 2.89 0.00 97.10 0.05 0.06 2.97 96.65 0.28 0.00 0.00 0.00 75 D C T 65.20 9.43 13.66 24.29 93.19 48.30 -89.59 0.25 78.92 0.02 21.06 0.19 0.64 77.32 21.48 0.35 0.00 0.00 0.01 76 G C T 56.45 2.12 17.74 20.01 94.09 -114.79 75.90 15.82 99.84 0.01 0.16 0.43 1.35 98.13 0.06 0.02 0.00 0.00 0.00 77 I C S 52.98 12.58 14.87 28.28 97.10 121.21 -86.93 -23.74 98.31 1.59 0.09 18.65 78.82 1.21 0.04 0.04 0.00 0.78 0.46 78 V C S 26.99 17.65 11.35 28.85 130.20 34.78 -130.06 145.59 83.25 16.51 0.24 16.63 67.30 1.24 0.09 0.12 0.00 7.64 6.97 79 S C C 51.02 5.74 15.32 22.48 116.27 -108.55 -72.00 151.37 91.35 8.09 0.56 86.79 3.77 0.97 0.11 0.43 0.00 6.40 1.52 80 K C T 151.08 4.00 12.13 18.15 93.82 -114.13 -65.06 -24.33 94.27 3.85 1.87 22.75 31.46 40.18 0.20 1.92 0.00 2.66 0.83 81 N C C 125.10 1.46 13.56 15.15 99.43 60.22 -88.66 24.12 97.21 1.60 1.19 52.16 7.57 37.41 0.16 1.14 0.00 1.17 0.39 82 F C C 81.57 13.31 9.89 22.92 105.40 134.46 -80.84 53.87 99.70 0.28 0.02 99.58 0.19 0.04 0.00 0.00 0.00 0.16 0.04