# 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 P C C 85.56 4.43 15.64 21.11 113.69 -100.93 -69.64 147.28 99.97 0.03 0.00 99.90 0.07 0.01 0.00 0.00 0.00 0.01 0.00 1 K C C 119.24 8.22 11.10 20.68 118.48 -126.97 -88.40 139.11 86.85 13.01 0.14 86.26 0.66 0.43 0.03 0.08 0.00 11.72 0.83 2 K C E 93.57 8.70 14.20 24.18 121.65 -153.54 -109.23 137.74 52.72 47.09 0.19 45.20 5.67 0.80 0.04 0.18 0.00 47.19 0.92 3 V E E 73.24 9.53 17.11 27.65 119.91 -150.87 -108.95 131.84 22.36 77.57 0.07 19.88 1.91 0.18 0.02 0.06 0.00 77.39 0.56 4 L E E 23.51 18.38 15.88 34.47 123.74 -168.43 -117.03 137.64 12.24 87.72 0.04 11.08 0.82 0.08 0.01 0.02 0.00 87.68 0.30 5 T E E 59.83 9.20 23.47 33.04 123.18 -160.15 -115.41 135.57 9.14 90.85 0.02 8.12 0.53 0.05 0.00 0.01 0.00 91.15 0.13 6 G E E 8.04 17.96 18.19 36.32 143.53 144.20 -162.90 174.96 4.03 95.96 0.01 3.10 0.58 0.05 0.00 0.01 0.00 96.22 0.04 7 V E E 64.05 7.15 24.91 32.91 124.00 -96.74 -118.62 139.81 1.47 98.53 0.00 1.27 0.07 0.00 0.00 0.00 0.00 98.62 0.03 8 V E E 24.80 20.95 13.70 34.82 110.05 -118.64 -77.44 125.37 1.61 98.39 0.00 1.47 0.05 0.00 0.00 0.00 0.00 98.43 0.05 9 V E E 69.24 6.48 20.66 28.02 102.98 175.11 -101.42 -25.34 5.26 94.72 0.02 4.19 0.85 0.05 0.00 0.01 0.00 94.78 0.12 10 S E E 54.21 6.21 19.21 26.44 134.78 0.07 -147.94 150.77 18.13 81.78 0.09 12.75 4.78 0.43 0.01 0.07 0.00 81.64 0.32 11 D C C 64.70 12.74 11.62 24.58 116.41 -165.42 -124.33 115.09 60.56 39.17 0.27 51.72 5.46 0.91 0.05 0.23 0.00 41.10 0.53 12 K C S 141.77 3.18 14.73 18.99 101.45 172.17 -89.04 -9.38 79.85 18.71 1.44 22.04 42.42 15.52 0.15 1.38 0.00 17.43 1.05 13 M C S 100.76 4.67 12.44 18.57 119.98 74.82 -100.20 145.81 78.93 18.92 2.15 24.37 35.85 19.69 0.29 2.02 0.01 14.55 3.22 14 Q C T 140.73 2.40 14.81 17.85 97.18 -95.72 -62.09 -15.08 98.33 0.62 1.05 5.55 39.89 52.98 0.08 0.95 0.00 0.38 0.17 15 K C T 113.01 8.12 15.21 23.91 98.67 15.63 -100.75 5.88 98.47 1.00 0.53 3.85 40.18 54.54 0.02 0.52 0.00 0.78 0.11 16 T E E 32.45 11.23 17.05 29.93 131.57 74.61 -130.35 147.20 22.02 77.91 0.07 16.80 4.77 0.45 0.01 0.06 0.00 77.07 0.83 17 V E E 10.52 19.09 17.06 37.10 125.06 -159.78 -119.96 139.71 3.80 96.20 0.00 3.42 0.11 0.00 0.00 0.00 0.00 96.42 0.05 18 T E E 26.87 10.65 24.32 36.41 118.87 -151.49 -108.34 129.84 0.33 99.67 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 19 V E E 5.81 22.87 17.42 40.92 122.01 -167.19 -116.67 132.23 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 L E E 43.44 9.34 24.23 34.72 115.99 -148.07 -100.23 127.41 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 21 V E E 10.86 20.15 15.82 36.50 125.28 -173.31 -122.41 139.71 0.33 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 22 E E E 77.56 8.51 20.65 29.91 118.14 -143.55 -102.53 132.28 1.40 98.60 0.00 1.22 0.06 0.00 0.00 0.00 0.00 98.70 0.01 23 R E E 63.61 13.02 15.42 29.32 130.55 176.22 -131.47 148.49 2.19 97.80 0.00 1.96 0.08 0.00 0.00 0.00 0.00 97.94 0.02 24 Q E E 93.19 7.61 16.30 25.16 117.24 -130.31 -100.23 130.90 1.91 98.09 0.00 1.70 0.07 0.00 0.00 0.00 0.00 98.19 0.03 25 F E E 67.51 9.35 14.19 25.38 129.00 174.17 -133.36 147.49 1.55 98.45 0.00 1.33 0.08 0.00 0.00 0.00 0.00 98.56 0.02 26 P E E 84.79 3.99 14.81 19.98 113.62 -107.20 -73.21 137.02 3.79 96.20 0.01 3.48 0.19 0.01 0.00 0.00 0.00 96.05 0.26 27 H C C 44.98 12.11 7.64 20.76 110.46 -134.71 -90.09 119.04 55.84 44.06 0.10 54.83 0.84 0.13 0.02 0.05 0.00 43.02 1.10 28 P C T 111.67 1.28 11.63 13.41 93.03 -148.70 -64.36 -27.86 97.13 0.25 2.62 0.40 2.75 94.04 0.08 2.50 0.00 0.16 0.07 29 L C T 131.76 1.19 10.81 12.40 97.34 48.63 -76.02 -37.96 97.60 0.14 2.26 0.19 2.11 95.50 0.05 2.02 0.00 0.08 0.05 30 Y C T 136.28 2.98 9.93 14.30 101.32 25.07 -105.53 -10.13 98.10 0.15 1.75 0.35 2.24 95.66 0.05 1.58 0.00 0.08 0.03 31 G C T 55.37 1.96 11.34 14.43 95.77 -124.24 74.54 11.51 98.83 0.79 0.38 44.30 5.88 48.64 0.08 0.26 0.00 0.74 0.11 32 K C C 107.36 3.52 10.99 16.51 125.02 122.84 -107.33 151.06 59.38 40.58 0.04 54.65 2.72 0.20 0.00 0.03 0.00 41.90 0.49 33 V E E 90.16 6.11 11.68 19.66 117.55 -128.67 -97.55 132.06 1.16 98.84 0.00 1.07 0.03 0.00 0.00 0.00 0.00 98.81 0.09 34 I E E 60.12 9.02 12.48 23.52 123.88 -171.45 -119.52 139.68 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 35 K E E 120.66 6.65 13.84 22.51 120.70 -149.89 -108.29 134.32 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.74 0.00 36 R E E 96.67 8.27 14.34 24.30 128.39 -176.77 -130.89 146.85 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 37 S E E 58.73 9.43 13.98 24.73 125.04 -151.97 -117.24 143.21 2.02 97.98 0.00 1.80 0.06 0.00 0.00 0.00 0.00 98.12 0.01 38 K E E 80.15 9.62 16.18 27.00 131.02 -174.12 -134.31 148.63 2.98 97.02 0.00 2.68 0.19 0.01 0.00 0.00 0.00 97.07 0.05 39 K E E 110.54 8.32 17.96 27.46 119.18 -135.32 -102.04 133.53 4.55 95.44 0.00 4.24 0.25 0.01 0.00 0.00 0.00 95.43 0.08 40 Y E E 28.19 18.28 16.13 34.78 130.22 -175.12 -130.14 146.66 4.39 95.61 0.00 4.16 0.17 0.01 0.00 0.00 0.00 95.50 0.16 41 L E E 60.10 10.40 23.98 34.84 119.17 -135.97 -99.09 137.09 6.09 93.90 0.00 5.83 0.22 0.01 0.00 0.00 0.00 93.50 0.42 42 A E E 5.23 23.82 17.20 41.25 130.12 -173.20 -127.11 144.54 19.94 80.04 0.02 19.29 0.59 0.04 0.01 0.01 0.00 79.16 0.90 43 H E E 64.02 10.02 24.13 34.74 121.26 -154.00 -113.32 131.01 28.13 71.81 0.05 25.02 2.58 0.12 0.02 0.04 0.00 65.03 7.19 44 D C C 15.50 19.81 13.63 33.45 112.27 -170.09 -118.33 106.19 93.31 6.63 0.06 91.58 1.92 0.16 0.01 0.04 0.00 5.61 0.68 45 P C T 87.10 4.71 17.36 23.51 93.17 -167.08 -66.77 -26.48 93.30 0.69 6.01 19.77 13.82 57.73 0.22 7.81 0.00 0.42 0.22 46 E C T 130.45 2.08 17.81 19.38 96.12 42.69 -92.78 -0.52 93.57 0.44 6.00 3.54 22.02 66.71 0.16 7.13 0.00 0.24 0.19 47 E C S 91.77 12.46 13.27 25.94 94.83 -119.62 59.84 36.64 93.66 1.89 4.45 29.54 53.14 9.91 0.27 5.26 0.00 0.99 0.89 48 K C C 119.45 4.58 21.90 26.97 106.24 126.72 -94.14 72.68 94.79 4.82 0.39 90.14 3.21 1.37 0.11 0.27 0.00 1.94 2.96 49 Y C C 20.42 23.40 11.15 33.78 130.35 129.58 -125.16 148.32 92.91 7.02 0.07 92.68 1.31 0.11 0.02 0.03 0.00 2.72 3.12 50 K C C 114.01 3.24 24.75 28.30 131.39 -162.32 -125.98 156.55 96.69 3.28 0.03 96.49 0.85 0.07 0.01 0.01 0.00 0.95 1.61 51 L C T 87.65 12.07 15.87 28.21 110.56 -81.95 -59.11 135.42 99.69 0.23 0.08 0.09 1.10 98.64 0.00 0.04 0.00 0.08 0.05 52 G C T 35.54 5.73 20.35 27.37 96.89 26.85 91.12 -7.67 99.93 0.04 0.03 0.14 1.12 98.70 0.00 0.02 0.00 0.02 0.00 53 D C C 25.80 14.90 16.97 33.21 117.87 133.28 -70.40 146.88 97.29 2.71 0.00 96.73 0.82 0.01 0.00 0.00 0.00 2.38 0.06 54 V E E 47.10 10.55 24.33 35.75 117.87 -132.72 -101.05 132.31 0.47 99.53 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.42 0.09 55 V E E 3.91 25.36 16.57 42.60 129.81 -173.90 -127.13 149.18 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 56 E E E 56.82 9.27 26.50 36.82 117.43 -131.47 -99.59 131.05 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 57 I E E 10.56 24.09 16.26 40.61 118.62 -153.65 -105.44 127.87 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 58 I E E 56.64 9.04 23.37 33.02 129.16 -173.99 -125.79 147.00 0.68 99.31 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 59 E E E 89.56 11.48 17.85 29.47 115.15 -116.71 -79.73 137.28 3.53 96.45 0.02 3.22 0.18 0.02 0.01 0.01 0.00 96.46 0.11 60 S E E 28.94 13.54 12.86 27.09 130.84 -164.56 -130.09 161.12 47.92 51.97 0.10 43.24 2.98 0.24 0.02 0.07 0.00 52.86 0.58 61 R C C 164.35 1.99 17.16 19.29 115.50 -99.58 -92.63 135.70 73.37 26.33 0.31 44.91 26.03 1.97 0.05 0.28 0.00 25.90 0.85 62 P C C 65.88 10.91 9.42 20.95 112.23 -106.50 -66.47 141.75 82.73 16.24 1.02 57.67 20.29 4.70 0.24 0.83 0.00 14.64 1.62 63 I C S 122.26 2.53 12.24 15.93 98.76 -164.24 -84.67 -29.07 83.77 15.01 1.22 30.45 46.27 8.01 0.32 0.99 0.01 9.75 4.21 64 S C S 53.85 3.04 12.71 16.92 134.37 6.69 -144.81 163.07 88.43 10.38 1.19 38.21 43.06 7.79 0.30 0.97 0.00 5.66 4.00 65 K C S 167.34 1.66 11.29 14.28 92.74 -104.12 -66.59 -24.70 96.87 0.65 2.47 4.69 61.68 31.20 0.53 1.28 0.00 0.36 0.26 66 R C S 164.33 1.98 14.07 16.44 98.06 55.07 -89.28 -14.62 95.31 2.50 2.20 5.46 61.80 28.77 0.50 1.16 0.00 1.79 0.53 67 K C E 77.22 10.76 13.26 24.90 112.08 41.56 -114.10 103.07 54.00 43.97 2.03 39.16 11.21 4.41 0.80 1.29 0.00 40.65 2.47 68 R E E 72.16 11.34 17.80 30.20 127.69 142.62 -124.64 144.01 26.13 73.53 0.35 22.20 2.94 0.46 0.21 0.15 0.00 73.05 0.99 69 F E E 20.36 20.57 16.20 36.91 126.81 -159.96 -120.42 144.79 8.96 90.90 0.13 7.83 0.62 0.09 0.07 0.04 0.00 91.15 0.20 70 R E E 89.92 8.09 24.93 33.65 122.48 -152.80 -116.56 134.85 1.23 98.73 0.04 1.07 0.07 0.01 0.02 0.01 0.00 98.77 0.05 71 V E E 20.54 21.17 14.04 35.45 110.00 -118.65 -75.64 124.60 0.60 99.39 0.02 0.57 0.01 0.00 0.01 0.00 0.00 99.38 0.02 72 L E E 75.15 6.98 20.51 28.48 100.69 175.78 -94.94 -32.85 1.87 98.02 0.11 1.35 0.29 0.05 0.03 0.03 0.00 98.22 0.03 73 R E E 113.36 4.17 23.24 28.03 138.14 -1.43 -151.72 150.37 1.14 98.77 0.09 0.88 0.12 0.03 0.02 0.02 0.00 98.91 0.02 74 L E E 63.57 16.67 14.91 30.95 113.51 -129.61 -95.03 122.90 2.32 97.50 0.17 2.19 0.08 0.03 0.08 0.04 0.00 97.50 0.07 75 V E E 48.79 11.75 16.60 29.19 106.49 -172.90 -96.16 5.80 14.90 84.02 1.08 12.54 1.65 0.52 0.62 0.37 0.00 83.80 0.50 76 E E E 104.68 6.46 18.90 26.05 122.92 -13.80 -121.24 135.91 36.11 60.71 3.18 28.78 5.48 2.08 1.59 1.37 0.00 59.61 1.08 77 S C C 54.57 11.55 13.94 25.70 110.19 -146.80 -89.26 100.42 63.44 19.87 16.69 37.36 14.20 11.82 10.87 5.36 0.06 18.92 1.42 78 G C C 33.37 9.03 14.37 24.12 111.03 -35.40 -74.61 -15.39 69.80 6.05 24.15 35.33 19.13 15.42 18.11 6.32 0.05 4.39 1.25 79 R C C 141.56 4.87 16.81 22.32 99.51 -27.58 -80.83 -5.37 56.26 4.40 39.34 40.04 8.90 7.35 34.22 5.46 0.02 3.02 1.00 80 M H H 67.52 11.61 12.99 25.09 96.60 87.37 -69.73 -34.64 30.47 1.82 67.70 22.36 4.85 4.47 63.76 2.98 0.01 1.22 0.36 81 D H H 84.69 4.37 17.23 22.28 94.20 60.21 -66.46 -37.35 17.86 1.26 80.88 13.48 2.43 3.17 77.47 2.28 0.00 0.96 0.20 82 L H H 78.46 5.11 16.92 22.96 92.99 52.95 -66.46 -39.99 8.75 0.81 90.44 6.36 1.25 1.91 87.98 1.72 0.00 0.66 0.11 83 V H H 44.72 9.93 15.31 26.60 92.93 50.84 -65.72 -41.78 5.62 0.67 93.71 3.84 0.77 1.46 92.03 1.25 0.00 0.57 0.08 84 E H H 83.16 7.65 16.88 25.50 92.13 51.53 -64.35 -40.90 4.45 0.46 95.08 2.75 0.62 1.40 93.64 1.12 0.00 0.40 0.06 85 K H H 106.96 3.39 18.17 21.85 92.25 50.75 -65.37 -41.06 4.27 0.35 95.38 2.23 0.59 1.62 94.11 1.09 0.01 0.30 0.05 86 Y H H 98.93 5.20 17.48 23.68 92.47 49.59 -66.07 -40.49 5.47 0.48 94.05 2.68 0.75 2.21 92.67 1.19 0.01 0.42 0.06 87 L H H 49.96 9.31 15.07 25.89 92.58 50.78 -65.60 -41.13 7.61 0.87 91.52 3.78 1.08 3.00 89.98 1.29 0.02 0.73 0.12 88 I H H 75.59 5.31 15.84 22.40 92.71 50.23 -65.77 -40.57 11.95 1.66 86.40 6.42 1.77 4.01 84.87 1.38 0.02 1.26 0.26 89 R H H 132.61 2.77 16.32 19.43 93.25 50.93 -67.09 -38.64 19.71 1.55 78.75 10.53 2.67 6.57 77.33 1.52 0.02 1.03 0.33 90 R H H 122.88 4.80 14.80 20.58 94.17 51.16 -68.70 -37.50 24.66 1.46 73.88 13.19 4.15 7.95 71.26 2.17 0.03 0.88 0.38 91 Q H H 92.43 5.15 14.32 20.52 95.13 52.40 -69.14 -36.80 29.13 1.13 69.75 14.01 4.90 10.78 66.36 2.93 0.03 0.64 0.36 92 N H H 97.36 3.59 15.35 19.66 96.93 50.08 -68.35 -30.18 38.28 0.81 60.91 18.10 5.73 14.71 57.04 3.66 0.02 0.44 0.30 93 Y H H 112.89 6.54 13.06 20.79 96.13 57.11 -69.70 -35.04 35.85 1.17 62.98 19.98 6.63 10.56 56.85 4.93 0.02 0.63 0.41 94 Q H H 100.14 4.29 14.50 19.87 95.80 56.64 -69.71 -35.00 34.83 1.75 63.42 20.83 6.35 9.22 56.79 5.21 0.03 1.03 0.53 95 S H H 58.83 4.58 14.25 19.92 96.16 54.21 -68.97 -34.82 37.89 1.98 60.13 22.60 6.60 10.25 53.04 5.70 0.03 1.19 0.60 96 L H H 80.49 7.18 12.07 20.49 95.98 56.24 -73.20 -30.89 38.74 2.82 58.44 22.38 7.87 10.59 50.16 6.39 0.06 1.70 0.85 97 S H H 66.18 4.73 12.44 18.53 97.73 60.73 -72.93 -25.24 46.28 3.97 49.75 26.45 8.94 12.47 42.12 6.27 0.06 2.60 1.10 98 K C H 141.56 2.62 12.03 15.79 99.76 62.04 -80.34 -8.53 55.14 5.40 39.46 28.53 12.12 15.90 32.00 6.34 0.07 3.56 1.48 99 R C C 148.25 4.06 10.44 16.01 104.13 74.48 -85.39 21.69 66.70 4.66 28.64 30.64 16.54 20.46 22.50 5.48 0.06 2.68 1.65 100 G C C 50.70 3.83 10.81 16.27 108.18 -78.21 74.48 4.40 80.23 3.46 16.31 33.14 16.15 31.99 9.75 5.71 0.02 1.97 1.28 101 G C C 51.39 3.73 10.19 15.59 111.19 -86.29 74.19 96.43 81.69 6.91 11.40 42.88 17.94 21.99 4.86 5.74 0.01 4.49 2.09 102 K C C 153.99 2.11 10.12 13.65 108.42 -23.66 -86.82 100.93 84.74 8.42 6.84 75.04 2.63 7.45 3.36 2.56 0.00 5.69 3.26 103 A C C 74.83 5.11 10.76 17.46 107.85 -142.94 -83.74 106.25 99.86 0.12 0.02 99.81 0.07 0.04 0.01 0.00 0.00 0.07 0.01