# 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 L C C 54.51 14.45 16.30 30.74 117.14 -156.97 -98.78 132.35 99.47 0.53 0.00 99.56 0.04 0.00 0.00 0.00 0.00 0.39 0.01 1 K C C 113.13 7.87 17.72 26.85 122.93 -162.46 -112.78 136.10 58.06 41.89 0.05 56.53 0.51 0.18 0.01 0.03 0.00 42.10 0.64 2 F E E 44.62 16.65 15.01 31.82 131.43 -172.31 -130.77 148.12 19.33 80.65 0.02 17.04 1.55 0.10 0.00 0.02 0.00 80.93 0.36 3 T E E 57.73 10.38 21.33 32.28 123.91 -155.91 -120.97 134.53 2.76 97.23 0.00 2.60 0.09 0.00 0.00 0.00 0.00 97.15 0.15 4 L E E 16.98 22.00 16.66 38.51 118.72 -159.04 -111.95 126.18 1.99 98.01 0.00 1.86 0.06 0.00 0.00 0.00 0.00 97.89 0.18 5 D E E 67.47 7.50 24.83 32.68 109.99 -147.31 -95.63 114.80 13.05 86.93 0.02 12.09 0.67 0.04 0.00 0.01 0.00 86.69 0.49 6 C C C 10.34 23.10 13.66 36.97 101.93 -174.11 -99.05 21.91 77.05 22.24 0.72 64.92 8.56 2.54 0.11 0.74 0.00 21.61 1.51 7 T C S 68.60 7.88 20.34 28.92 94.04 119.17 -71.58 -24.12 94.53 5.20 0.27 14.53 75.50 4.62 0.03 0.23 0.00 4.43 0.65 8 H C S 95.18 6.91 19.15 26.80 109.32 44.33 -114.80 82.50 96.10 3.72 0.18 12.13 83.14 1.34 0.03 0.10 0.00 2.59 0.66 9 P C C 42.57 14.71 14.07 28.98 110.11 119.87 -71.00 142.57 88.08 11.03 0.88 82.91 3.94 0.79 0.42 0.39 0.00 4.47 7.08 10 V C C 43.37 14.76 12.11 26.73 116.62 -121.88 -95.58 148.70 75.09 22.88 2.03 68.33 3.79 1.12 1.03 0.93 0.00 8.47 16.33 11 E C T 149.09 2.10 15.14 17.91 95.27 -105.95 -67.43 -24.77 75.33 17.46 7.21 3.83 12.02 60.84 1.03 5.92 0.13 11.01 5.21 12 D C T 106.96 2.70 14.75 18.23 94.98 47.29 -87.36 9.26 92.63 0.91 6.46 1.18 8.34 83.00 0.45 6.18 0.00 0.49 0.36 13 G C S 46.02 5.92 14.15 21.52 95.69 -105.64 82.16 7.13 94.63 2.16 3.21 7.82 62.44 24.48 0.28 2.85 0.00 1.14 0.97 14 I C S 61.50 11.39 16.38 28.47 99.47 111.91 -86.10 -28.15 80.22 19.15 0.64 34.45 44.94 2.48 0.32 0.35 0.00 9.37 8.09 15 M C C 22.69 19.87 13.62 33.18 131.13 25.27 -131.70 144.57 53.54 45.88 0.58 35.43 18.32 0.80 0.41 0.24 0.01 19.57 25.22 16 D C C 68.18 5.83 23.98 29.76 118.03 -138.03 -94.76 143.33 80.20 19.14 0.66 79.66 1.44 0.33 0.54 0.15 0.00 13.75 4.15 17 A H H 27.69 18.56 14.38 32.54 92.92 -127.39 -60.86 -36.48 9.51 0.17 90.32 3.54 1.47 4.88 85.91 4.00 0.02 0.11 0.06 18 A H H 61.49 3.23 21.57 24.53 91.68 55.85 -63.27 -40.27 5.59 0.06 94.35 0.70 0.51 4.16 88.99 5.56 0.02 0.04 0.02 19 N H H 65.48 7.14 20.74 28.42 92.05 49.65 -66.35 -38.67 3.80 0.06 96.14 0.81 0.41 2.41 89.51 6.80 0.01 0.04 0.01 20 F H H 8.93 23.80 15.28 39.08 91.99 52.25 -63.75 -43.12 1.44 0.02 98.54 0.53 0.18 0.68 97.27 1.32 0.00 0.01 0.00 21 E H H 63.12 13.00 19.55 32.52 91.56 52.36 -62.94 -41.66 0.78 0.01 99.21 0.22 0.06 0.40 99.03 0.28 0.00 0.00 0.00 22 Q H H 102.05 2.11 23.62 24.09 91.64 50.56 -64.21 -41.90 0.53 0.01 99.46 0.10 0.04 0.30 99.41 0.15 0.00 0.00 0.00 23 F H H 35.21 12.23 19.04 32.50 91.89 49.22 -64.32 -43.16 0.43 0.00 99.57 0.08 0.03 0.24 99.49 0.15 0.00 0.00 0.00 24 L H H 8.13 23.44 14.76 38.14 91.97 49.82 -64.84 -40.99 0.49 0.00 99.50 0.08 0.03 0.30 99.30 0.29 0.00 0.00 0.00 25 Q H H 95.50 8.70 18.58 27.77 91.93 52.84 -65.81 -35.84 1.75 0.01 98.24 0.11 0.08 1.46 97.71 0.64 0.00 0.00 0.00 26 E H H 128.02 2.24 20.76 22.23 94.31 47.01 -75.65 -29.93 11.15 0.02 88.83 0.27 0.46 10.60 87.86 0.78 0.02 0.00 0.01 27 R H H 101.58 10.02 17.84 28.06 101.88 31.54 -104.54 -11.64 33.67 0.36 65.98 2.83 3.37 26.64 65.60 1.17 0.07 0.15 0.16 28 I C C 22.75 21.67 11.84 32.60 111.32 81.01 -95.25 118.58 83.72 11.45 4.83 59.58 20.33 3.31 4.78 0.95 0.01 7.18 3.87 29 K E C 110.52 5.10 20.62 26.70 124.04 142.14 -118.86 136.48 47.82 50.62 1.57 44.62 2.03 0.71 1.34 0.45 0.00 41.37 9.47 30 V E E 39.43 16.90 10.65 27.10 117.80 -170.50 -123.23 119.55 17.69 80.19 2.12 10.76 3.90 2.07 1.34 1.03 0.06 50.93 29.91 31 N C T 127.89 2.19 14.44 17.67 93.00 -12.91 52.85 40.26 95.02 1.70 3.28 1.02 5.29 89.13 0.30 2.74 0.00 1.07 0.45 32 G C T 64.23 1.16 13.78 14.87 94.55 -52.07 79.31 3.57 97.54 0.28 2.17 0.90 6.79 89.79 0.13 2.12 0.00 0.17 0.10 33 K E E 114.40 4.12 13.69 19.76 122.26 109.90 -111.84 136.88 22.79 76.43 0.79 6.45 10.72 6.76 0.33 0.46 0.07 43.08 32.13 34 A C T 68.17 6.64 13.35 21.52 113.15 -114.72 -69.30 139.27 63.73 31.62 4.64 11.53 15.47 39.86 0.78 3.81 0.04 23.70 4.80 35 G C T 40.22 7.81 16.42 25.11 97.04 19.34 80.44 -1.08 87.28 8.14 4.58 22.75 25.99 38.91 0.76 3.95 0.01 6.21 1.43 36 N C C 77.08 8.75 17.31 26.86 100.46 116.11 -87.00 10.56 80.45 12.52 7.03 52.27 17.44 10.81 1.81 5.32 0.02 7.45 4.89 37 L C C 39.61 18.14 12.88 30.11 99.08 82.36 -91.27 4.58 71.07 21.55 7.37 44.04 14.74 12.61 2.14 5.24 0.06 11.48 9.69 38 G C T 43.67 5.60 16.77 23.63 102.44 -110.61 72.22 30.48 67.81 19.64 12.54 24.88 16.76 27.93 2.24 9.68 0.10 10.35 8.07 39 G C T 59.71 2.23 16.63 19.41 95.13 -21.42 65.27 19.55 87.71 2.08 10.21 5.62 19.67 61.62 0.89 9.96 0.01 1.26 0.97 40 G C T 43.36 8.26 16.25 25.24 95.26 -67.15 80.06 7.02 91.27 2.31 6.42 6.75 26.25 57.88 0.41 6.51 0.00 1.62 0.59 41 V E E 46.88 12.09 18.28 31.01 97.90 111.31 -87.52 -22.50 49.10 49.72 1.18 24.25 20.94 6.34 0.30 1.03 0.03 41.48 5.63 42 V E E 8.90 23.93 12.61 36.48 124.96 49.84 -120.18 135.30 15.89 84.06 0.05 13.99 1.46 0.11 0.01 0.03 0.00 83.14 1.26 43 T E E 58.87 6.07 26.04 32.47 122.92 -165.37 -118.37 136.42 3.60 96.39 0.01 3.55 0.09 0.01 0.00 0.00 0.00 96.20 0.14 44 I E E 29.83 22.61 13.50 35.49 120.69 -159.72 -116.37 128.32 2.02 97.97 0.00 1.97 0.06 0.00 0.00 0.00 0.00 97.94 0.02 45 E E E 96.81 4.25 23.25 27.83 124.37 -173.28 -124.76 137.40 0.90 99.10 0.00 0.79 0.05 0.00 0.00 0.00 0.00 99.12 0.03 46 R E E 117.62 12.78 12.54 25.48 119.10 -147.50 -105.90 128.70 4.96 95.01 0.03 4.04 0.52 0.08 0.00 0.01 0.00 95.17 0.16 47 S C C 53.19 4.36 14.62 20.40 127.56 175.77 -123.37 164.44 63.95 36.01 0.04 59.89 1.79 0.15 0.01 0.03 0.00 37.80 0.34 48 K C S 169.16 1.15 14.95 15.88 95.00 -82.13 -58.56 -41.88 99.31 0.51 0.19 2.87 59.27 37.24 0.01 0.17 0.00 0.38 0.06 49 S C S 64.93 7.91 13.68 22.43 101.86 10.57 -108.02 0.47 99.32 0.52 0.16 2.04 59.00 38.36 0.00 0.15 0.00 0.40 0.05 50 K E E 79.43 8.47 18.43 28.00 137.46 37.78 -143.07 154.33 30.95 69.02 0.03 22.97 7.27 0.28 0.00 0.03 0.00 68.97 0.47 51 I E E 12.18 21.91 14.49 37.02 120.11 -144.54 -112.87 129.03 2.50 97.50 0.00 2.37 0.05 0.00 0.00 0.00 0.00 97.53 0.04 52 T E E 35.69 9.16 25.08 35.36 119.86 -162.90 -112.21 130.24 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 53 V E E 7.28 23.99 16.88 41.35 121.71 -167.94 -116.59 130.44 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 54 T E E 51.01 8.88 25.53 34.91 123.87 -170.10 -118.94 135.97 1.07 98.93 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.96 0.03 55 S E E 12.05 21.68 13.33 34.56 133.26 -170.45 -133.99 153.99 22.64 77.35 0.01 20.82 1.01 0.04 0.00 0.01 0.00 77.78 0.35 56 E C S 127.32 3.90 21.83 26.35 96.84 -144.90 -88.66 -6.22 84.93 15.04 0.03 30.57 53.54 0.51 0.00 0.03 0.00 14.97 0.36 57 V C S 39.79 13.57 16.08 30.66 119.31 79.99 -103.35 135.73 93.36 6.58 0.06 24.63 68.48 0.69 0.01 0.05 0.00 5.62 0.54 58 P C C 75.36 7.03 23.27 30.59 112.65 -109.70 -67.30 140.99 96.45 3.50 0.05 89.23 6.93 0.46 0.01 0.05 0.00 2.79 0.53 59 F C C 13.86 24.59 12.06 36.49 122.68 -139.61 -106.34 143.36 92.82 7.00 0.17 86.58 5.69 0.21 0.09 0.07 0.00 2.25 5.11 60 S C C 39.50 6.77 22.82 29.87 121.66 -128.60 -84.08 159.04 97.34 2.44 0.21 96.72 0.99 0.09 0.14 0.03 0.00 0.78 1.25 61 K H H 107.54 10.91 16.06 27.51 91.53 -110.92 -59.15 -36.45 3.09 0.00 96.91 0.28 0.44 2.27 96.14 0.86 0.00 0.00 0.00 62 R H H 138.24 3.24 21.24 24.25 91.41 55.36 -63.54 -40.08 1.94 0.00 98.06 0.14 0.16 1.56 96.95 1.18 0.00 0.00 0.00 63 Y H H 39.01 16.16 18.47 34.70 92.01 49.22 -65.50 -41.43 0.74 0.00 99.25 0.10 0.07 0.50 98.00 1.33 0.00 0.00 0.00 64 L H H 10.19 22.85 16.97 39.53 91.66 51.19 -64.05 -42.16 0.25 0.00 99.75 0.04 0.02 0.15 99.40 0.39 0.00 0.00 0.00 65 K H H 93.05 8.89 22.06 31.06 91.64 51.99 -63.68 -41.02 0.59 0.00 99.40 0.05 0.03 0.50 98.74 0.69 0.00 0.00 0.00 66 Y H H 86.15 7.07 23.29 30.79 91.94 49.44 -65.27 -41.88 1.39 0.00 98.61 0.08 0.06 1.21 98.04 0.60 0.00 0.00 0.00 67 L H H 14.34 19.51 20.31 39.59 92.71 48.26 -66.06 -42.29 6.83 0.02 93.15 0.36 0.45 5.84 92.65 0.69 0.01 0.01 0.01 68 T H H 12.04 20.78 19.16 39.49 93.71 46.72 -69.39 -39.27 28.22 0.10 71.68 2.64 1.97 22.31 71.92 1.06 0.02 0.04 0.06 69 K H H 95.92 8.66 21.65 30.45 92.29 53.87 -63.34 -41.29 9.82 0.06 90.12 2.15 1.32 5.95 89.79 0.73 0.01 0.02 0.02 70 K H H 93.87 4.68 22.58 27.29 92.17 49.27 -65.49 -41.49 4.20 0.02 95.78 0.65 0.45 2.92 95.41 0.55 0.01 0.01 0.01 71 Y H H 28.45 15.38 17.75 33.81 92.70 48.07 -65.36 -42.43 1.49 0.01 98.50 0.30 0.18 0.96 97.83 0.71 0.01 0.01 0.00 72 L H H 16.74 18.14 14.20 32.73 91.96 49.76 -64.27 -41.65 0.99 0.01 99.00 0.20 0.09 0.62 98.15 0.93 0.00 0.00 0.00 73 K H H 132.07 2.73 17.70 20.90 92.29 49.42 -65.23 -40.82 1.42 0.00 98.57 0.14 0.08 1.07 97.81 0.90 0.00 0.00 0.00 74 K H H 131.04 3.03 16.32 20.07 92.02 50.80 -66.83 -33.17 6.68 0.01 93.31 0.17 0.25 6.36 92.50 0.71 0.01 0.00 0.00 75 N C T 56.74 10.84 12.53 24.62 96.89 42.38 -99.65 6.88 85.83 0.03 14.13 0.48 1.82 82.63 14.39 0.63 0.00 0.01 0.04 76 N C T 128.16 1.66 19.01 20.52 92.80 -121.59 57.78 39.44 99.70 0.01 0.29 1.85 1.40 96.57 0.12 0.05 0.00 0.00 0.00 77 L C C 21.12 19.09 12.14 31.31 101.44 134.23 -103.77 25.45 97.78 0.86 1.36 96.15 1.18 0.87 0.41 0.57 0.00 0.34 0.49 78 R C C 98.56 14.00 16.52 29.99 93.87 125.98 -62.89 -33.04 65.62 1.44 32.94 40.14 5.90 16.64 1.41 34.62 0.00 0.93 0.36 79 D C T 99.19 4.24 22.34 27.17 91.57 60.82 -73.25 -12.30 61.43 1.53 37.04 4.02 13.13 41.68 0.72 39.08 0.00 1.02 0.36 80 W C G 43.59 17.78 18.43 36.03 98.62 54.26 -97.37 -10.19 55.05 6.13 38.82 7.97 12.03 34.14 0.83 39.27 0.00 5.32 0.45 81 L E E 6.52 25.21 16.67 42.17 124.56 75.70 -111.17 135.43 20.72 78.26 1.02 16.67 4.02 0.79 0.21 0.77 0.00 76.73 0.80 82 R E E 69.63 12.86 26.54 39.20 129.80 -174.15 -127.33 144.79 5.09 94.89 0.02 4.26 0.48 0.04 0.00 0.01 0.00 95.14 0.07 83 V E E 20.94 21.18 20.83 41.51 117.27 -135.50 -100.58 128.90 0.69 99.31 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.02 84 V E E 26.51 14.67 21.96 37.06 124.01 -171.91 -119.80 137.09 0.67 99.32 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.36 0.03 85 A E E 25.17 15.03 15.95 31.63 122.51 -157.32 -114.03 136.60 6.27 93.71 0.02 5.76 0.30 0.03 0.00 0.01 0.00 93.74 0.16 86 N C E 92.12 6.27 16.68 24.17 99.77 -166.91 -93.08 -19.50 54.90 45.01 0.09 23.19 29.02 1.48 0.01 0.09 0.00 45.91 0.30 87 S C S 56.50 2.83 18.20 20.82 136.41 -1.72 -145.34 173.65 70.06 29.64 0.29 11.84 52.06 5.92 0.02 0.30 0.00 28.67 1.17 88 K C T 146.18 4.60 13.61 19.80 93.41 -86.86 -66.51 -25.64 99.21 0.29 0.50 1.01 40.67 57.62 0.02 0.44 0.00 0.17 0.07 89 E C T 128.40 4.20 15.67 20.82 101.01 29.01 -104.59 2.24 99.03 0.60 0.37 1.87 41.21 56.01 0.01 0.38 0.00 0.44 0.08 90 S E E 35.52 8.58 17.45 27.65 128.89 64.09 -129.70 147.41 42.78 57.12 0.10 34.48 7.14 0.61 0.02 0.10 0.00 56.95 0.70 91 Y E E 31.37 20.61 13.11 33.44 131.68 -172.40 -134.65 147.82 8.16 91.83 0.01 7.33 0.33 0.02 0.00 0.00 0.00 92.21 0.11 92 E E E 76.07 7.90 24.66 33.13 125.65 -160.59 -122.33 138.67 0.74 99.25 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.32 0.01 93 L E E 19.90 22.60 15.57 38.03 117.49 -138.79 -94.98 131.66 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 94 R E E 83.42 10.18 23.13 33.50 123.93 -168.83 -119.36 133.80 1.09 98.91 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.96 0.01 95 Y E E 70.80 16.25 16.87 32.85 120.64 -145.21 -102.17 137.21 7.43 92.56 0.01 6.62 0.44 0.04 0.00 0.01 0.00 92.65 0.24 96 F E E 49.50 14.11 15.92 30.79 123.33 -167.08 -117.28 138.57 36.43 63.38 0.19 30.29 4.48 0.76 0.04 0.17 0.00 63.31 0.95 97 Q C C 107.45 6.18 17.23 24.64 114.26 -134.11 -92.80 127.59 57.80 41.96 0.24 52.82 2.38 0.87 0.05 0.18 0.00 41.66 2.04 98 I C C 61.93 15.07 13.55 28.28 112.31 -151.77 -91.57 119.32 99.59 0.40 0.00 99.65 0.05 0.01 0.00 0.00 0.00 0.28 0.01