# 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 85.99 4.38 15.70 21.10 113.41 -98.34 -69.63 147.67 99.97 0.02 0.00 99.90 0.07 0.01 0.00 0.00 0.00 0.01 0.00 1 K C C 118.67 8.38 11.16 20.79 117.85 -123.26 -85.37 138.49 90.87 8.98 0.15 89.98 0.71 0.53 0.03 0.08 0.00 8.01 0.66 2 K C C 93.36 8.78 14.46 24.46 121.13 -150.94 -106.31 138.02 57.05 42.73 0.22 47.88 7.10 0.98 0.04 0.22 0.00 42.94 0.85 3 V E E 71.66 9.85 17.37 28.14 119.95 -148.73 -108.98 132.21 22.50 77.42 0.08 19.99 1.93 0.19 0.02 0.06 0.00 77.25 0.56 4 L E E 21.22 18.92 16.10 35.18 124.45 -168.83 -118.54 137.98 10.59 89.37 0.04 9.52 0.79 0.08 0.01 0.02 0.00 89.29 0.27 5 T E E 58.27 9.40 24.02 33.73 122.62 -158.88 -114.68 134.80 7.85 92.13 0.02 6.93 0.49 0.04 0.00 0.01 0.00 92.42 0.11 6 G E E 6.80 19.22 18.20 37.36 143.06 147.68 -160.83 172.93 3.77 96.22 0.01 2.90 0.55 0.05 0.00 0.01 0.00 96.47 0.03 7 V E E 61.49 7.54 25.25 33.71 124.47 -100.12 -119.91 139.91 1.34 98.66 0.00 1.15 0.07 0.00 0.00 0.00 0.00 98.74 0.03 8 V E E 22.18 21.39 14.01 35.63 109.81 -118.06 -76.36 125.57 1.48 98.51 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.55 0.04 9 V E E 68.31 6.69 20.98 28.54 102.70 175.60 -101.00 -25.58 6.33 93.64 0.03 4.84 1.23 0.08 0.00 0.02 0.00 93.69 0.14 10 S E E 52.64 6.46 19.68 27.07 135.33 1.61 -149.11 150.90 22.13 77.74 0.12 14.59 6.89 0.62 0.02 0.09 0.00 77.43 0.36 11 D C C 65.16 13.06 11.95 25.10 115.89 -164.56 -122.25 114.04 63.46 36.19 0.36 52.89 6.93 1.27 0.07 0.31 0.00 37.93 0.60 12 K C S 139.89 3.37 15.17 19.57 101.39 164.24 -92.07 -5.84 80.49 17.91 1.60 24.62 40.30 15.87 0.17 1.53 0.00 16.36 1.14 13 M C S 97.24 5.35 12.36 19.21 119.29 81.51 -100.49 146.96 80.12 17.54 2.34 28.18 33.93 18.87 0.34 2.20 0.01 12.97 3.49 14 Q C T 139.71 2.54 15.09 18.25 97.70 -98.33 -62.83 -13.25 98.20 0.66 1.14 6.67 41.39 50.24 0.10 1.02 0.00 0.40 0.19 15 K C T 112.61 8.24 15.41 24.17 99.51 13.29 -100.22 5.31 98.32 1.08 0.60 4.33 42.18 51.92 0.03 0.57 0.00 0.83 0.13 16 T E E 32.67 11.35 17.26 30.17 131.38 69.47 -131.81 147.72 23.99 75.91 0.10 18.13 5.51 0.58 0.02 0.08 0.00 74.75 0.93 17 V E E 10.28 19.36 17.18 37.43 124.58 -159.31 -119.87 138.21 4.47 95.53 0.00 4.02 0.14 0.01 0.00 0.00 0.00 95.77 0.06 18 T E E 26.31 10.86 24.48 36.74 118.96 -152.40 -108.94 129.85 0.40 99.60 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 19 V E E 5.60 23.04 17.59 41.25 121.82 -167.17 -116.86 132.02 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 20 L E E 43.34 9.47 24.28 34.89 115.81 -146.28 -99.20 127.31 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 21 V E E 10.88 20.22 15.86 36.59 125.65 -173.14 -122.32 140.13 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 22 E E E 78.33 8.62 20.56 29.91 117.95 -142.70 -102.22 131.74 1.40 98.60 0.00 1.23 0.06 0.00 0.00 0.00 0.00 98.70 0.01 23 R E E 65.34 12.83 15.41 29.13 130.43 174.91 -131.79 148.88 2.18 97.81 0.00 1.95 0.08 0.00 0.00 0.00 0.00 97.94 0.02 24 Q E E 94.70 7.49 16.26 25.01 116.97 -129.63 -98.86 130.47 1.87 98.13 0.00 1.65 0.07 0.00 0.00 0.00 0.00 98.25 0.02 25 F E E 67.74 9.36 14.11 25.31 129.02 172.16 -133.29 146.75 1.45 98.55 0.00 1.24 0.07 0.00 0.00 0.00 0.00 98.66 0.02 26 P E E 85.06 3.99 14.83 19.99 113.66 -107.44 -72.52 137.68 3.50 96.49 0.01 3.21 0.17 0.01 0.00 0.00 0.00 96.37 0.23 27 H C C 44.74 12.18 7.63 20.81 110.59 -136.15 -91.49 118.70 53.18 46.72 0.10 52.18 0.83 0.13 0.03 0.05 0.00 45.74 1.05 28 P C T 111.52 1.30 11.70 13.51 93.22 -149.02 -64.26 -28.15 96.76 0.25 2.99 0.42 2.75 93.64 0.09 2.88 0.00 0.17 0.07 29 L C T 130.81 1.27 10.86 12.59 97.28 48.93 -75.65 -37.90 97.21 0.14 2.66 0.20 2.11 95.09 0.06 2.41 0.00 0.08 0.05 30 Y C T 134.96 3.10 9.94 14.49 101.21 25.20 -105.25 -10.22 97.82 0.15 2.03 0.36 2.27 95.31 0.06 1.88 0.00 0.09 0.03 31 G C T 55.70 1.92 11.47 14.49 95.91 -124.27 74.19 11.68 98.75 0.85 0.39 42.24 5.84 50.66 0.08 0.26 0.00 0.81 0.11 32 K C C 106.53 3.57 11.09 16.66 125.58 120.23 -110.37 152.41 57.12 42.84 0.04 52.25 2.78 0.21 0.00 0.03 0.00 44.26 0.47 33 V E E 89.58 6.28 11.67 19.81 117.74 -128.94 -100.22 132.17 1.11 98.88 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.87 0.07 34 I E E 60.41 8.98 12.61 23.61 123.33 -170.55 -119.73 138.72 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 35 K E E 120.57 6.72 13.85 22.56 120.39 -148.91 -106.71 133.84 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 36 R E E 96.07 8.31 14.37 24.37 128.46 -177.57 -130.86 146.83 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 37 S E E 59.18 9.42 13.99 24.73 125.20 -153.68 -118.26 144.16 2.04 97.96 0.00 1.81 0.05 0.00 0.00 0.00 0.00 98.12 0.01 38 K E E 79.43 9.70 16.08 27.00 131.10 -175.62 -134.42 148.41 2.75 97.24 0.00 2.47 0.16 0.01 0.00 0.00 0.00 97.32 0.04 39 K E E 112.54 8.03 17.99 27.27 118.55 -135.06 -100.45 133.09 4.21 95.78 0.00 3.92 0.22 0.01 0.00 0.00 0.00 95.76 0.08 40 Y E E 28.59 18.36 16.00 34.70 130.22 -174.98 -130.36 146.59 5.31 94.68 0.00 4.96 0.25 0.01 0.00 0.00 0.00 94.57 0.20 41 L E E 61.28 10.20 24.08 34.77 119.19 -135.76 -98.10 136.79 8.52 91.48 0.01 8.16 0.36 0.03 0.00 0.00 0.00 90.95 0.49 42 A E E 4.96 24.05 17.10 41.43 129.76 -174.09 -128.69 145.76 24.43 75.54 0.03 23.54 0.82 0.06 0.01 0.02 0.00 74.49 1.06 43 H E E 64.41 9.98 24.25 34.79 121.37 -153.47 -113.71 130.18 30.58 69.36 0.06 27.56 2.48 0.13 0.03 0.04 0.00 61.31 8.45 44 D C C 15.43 19.84 13.68 33.52 111.77 -170.61 -117.99 104.96 93.64 6.30 0.05 92.09 1.81 0.15 0.01 0.03 0.00 5.19 0.71 45 P C T 86.09 4.87 17.24 23.58 93.17 -159.21 -66.76 -27.03 92.34 0.63 7.03 20.96 13.78 55.37 0.26 9.03 0.00 0.38 0.21 46 E C T 129.90 2.13 17.58 19.29 95.92 44.14 -92.23 -0.24 92.82 0.38 6.80 3.34 22.00 66.06 0.18 8.04 0.00 0.20 0.18 47 E C S 96.75 11.78 13.34 25.50 94.59 -119.15 60.41 36.56 93.14 1.53 5.32 27.90 52.06 11.81 0.30 6.36 0.00 0.77 0.80 48 K C C 121.32 4.36 21.69 26.50 104.75 125.94 -93.99 53.83 96.12 3.45 0.43 90.56 3.64 1.77 0.12 0.32 0.00 1.31 2.29 49 Y C C 21.62 23.18 10.94 33.27 130.05 114.57 -124.52 149.03 95.39 4.55 0.07 94.66 1.34 0.11 0.02 0.03 0.00 1.60 2.24 50 K C C 115.72 3.11 24.65 28.01 131.18 -162.60 -126.30 156.30 97.49 2.48 0.03 97.07 0.80 0.07 0.01 0.01 0.00 0.64 1.41 51 L C T 87.89 12.11 15.75 28.12 110.43 -82.10 -59.23 135.23 99.71 0.21 0.08 0.09 1.14 98.60 0.00 0.04 0.00 0.07 0.05 52 G C T 35.84 5.71 20.24 27.21 97.05 26.87 91.22 -7.59 99.94 0.04 0.03 0.14 1.13 98.69 0.00 0.02 0.00 0.02 0.00 53 D C C 27.07 14.57 17.05 32.99 117.77 133.14 -70.45 146.68 97.61 2.39 0.00 97.11 0.76 0.01 0.00 0.00 0.00 2.06 0.05 54 V E E 47.83 10.56 24.23 35.62 117.04 -131.45 -99.62 132.13 0.48 99.51 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.39 0.09 55 V E E 3.79 25.41 16.55 42.63 129.87 -174.51 -127.47 150.08 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 56 E E E 56.99 9.34 26.66 37.07 117.44 -131.76 -100.12 131.04 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 57 I E E 9.09 24.45 16.36 41.21 118.16 -152.65 -103.89 127.83 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 58 I E E 56.15 9.15 23.70 33.39 128.85 -174.51 -125.30 148.19 0.71 99.29 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.01 59 E E E 89.53 11.70 18.24 29.97 115.17 -115.60 -79.00 137.17 3.08 96.90 0.02 2.78 0.16 0.02 0.00 0.01 0.00 96.93 0.10 60 S E E 26.74 14.13 13.15 27.89 131.94 177.72 -130.54 161.07 48.26 51.64 0.11 44.07 2.59 0.23 0.02 0.08 0.00 52.43 0.59 61 R C C 162.19 2.16 17.70 20.04 115.82 -98.02 -90.42 137.22 76.22 23.39 0.39 47.39 25.68 2.56 0.06 0.36 0.00 23.13 0.82 62 P C C 65.87 10.96 10.20 21.81 112.03 -101.44 -66.20 142.09 84.82 13.99 1.19 56.11 23.09 5.73 0.26 0.98 0.00 12.49 1.35 63 I C S 115.88 3.28 12.49 17.23 98.76 -165.66 -84.90 -28.31 81.57 16.95 1.49 33.55 41.18 7.97 0.44 1.16 0.02 10.54 5.14 64 S C C 50.88 3.59 12.85 17.84 134.54 7.83 -144.22 163.52 88.49 10.29 1.21 46.63 35.81 6.69 0.33 0.95 0.00 5.36 4.23 65 K C S 166.31 1.72 11.94 14.96 92.83 -104.71 -66.91 -24.22 97.02 0.57 2.41 4.73 65.16 27.87 0.60 1.10 0.00 0.31 0.23 66 R C S 158.70 2.43 14.49 17.52 99.14 52.58 -91.31 -15.70 95.37 2.33 2.30 5.47 64.97 25.70 0.61 1.09 0.00 1.67 0.50 67 K C E 73.07 11.55 13.76 26.02 115.59 35.99 -119.11 101.49 53.20 44.68 2.12 38.86 10.81 4.23 0.99 1.24 0.01 41.19 2.66 68 R E E 68.69 11.86 18.46 31.24 128.01 160.29 -125.38 144.10 26.61 72.84 0.55 22.42 3.12 0.58 0.38 0.21 0.00 72.17 1.13 69 F E E 17.91 21.33 16.63 38.04 126.68 -160.43 -118.06 143.66 10.30 89.41 0.28 8.77 0.83 0.15 0.17 0.08 0.00 89.75 0.24 70 R E E 86.41 8.61 25.35 34.57 123.28 -154.13 -117.56 134.59 1.57 98.31 0.11 1.33 0.09 0.02 0.08 0.02 0.00 98.39 0.06 71 V E E 18.60 21.56 14.50 36.35 109.93 -118.82 -75.69 124.72 0.71 99.25 0.04 0.66 0.01 0.00 0.03 0.01 0.00 99.26 0.03 72 L E E 73.61 7.34 20.85 29.13 100.97 175.73 -96.08 -32.96 2.12 97.71 0.17 1.56 0.30 0.07 0.06 0.04 0.00 97.94 0.03 73 R E E 114.20 4.10 23.63 28.28 137.94 -1.41 -152.03 150.31 1.40 98.46 0.14 1.09 0.14 0.04 0.05 0.03 0.00 98.64 0.02 74 L E E 62.14 17.10 14.64 31.04 111.91 -125.87 -89.31 122.69 2.66 97.10 0.25 2.51 0.10 0.04 0.13 0.05 0.00 97.10 0.08 75 V E E 52.85 10.85 17.10 28.86 102.69 -173.62 -93.24 -29.63 14.33 84.22 1.45 11.48 2.22 0.67 0.82 0.48 0.00 83.88 0.43 76 E E E 100.94 6.37 19.46 26.47 128.88 -2.03 -135.61 140.76 30.68 65.93 3.39 23.18 6.13 2.25 1.79 1.37 0.00 64.27 1.00 77 S C C 55.04 11.94 13.70 25.80 118.27 -145.39 -94.03 137.34 64.89 26.14 8.97 41.60 13.78 9.32 4.92 3.43 0.02 25.69 1.25 78 G C C 32.62 9.83 13.75 24.23 114.40 -133.70 -85.52 -18.09 77.09 7.00 15.91 40.23 22.83 14.26 11.30 4.79 0.02 5.29 1.29 79 R C C 158.17 3.71 16.12 20.55 99.26 -87.40 -82.26 -9.27 64.71 4.33 30.96 40.65 14.61 9.12 26.47 5.18 0.02 2.84 1.09 80 M H H 75.02 10.85 12.09 23.50 104.63 84.52 -81.37 -10.66 47.23 2.75 50.02 31.35 9.38 7.01 45.72 4.12 0.02 1.81 0.60 81 D H H 86.04 4.62 16.61 21.96 97.28 62.23 -70.02 -31.91 36.74 2.21 61.05 27.95 4.73 4.93 57.18 3.26 0.01 1.52 0.42 82 L H H 76.10 6.77 15.44 23.50 94.51 57.06 -66.86 -37.54 17.55 1.46 80.99 13.60 2.52 2.87 77.30 2.43 0.01 1.06 0.22 83 V H H 51.64 9.33 14.99 25.56 93.04 52.14 -66.55 -40.92 10.24 1.21 88.55 7.78 1.35 2.02 85.94 1.76 0.00 0.99 0.14 84 E H H 88.80 6.23 16.76 24.03 92.58 52.42 -65.60 -40.10 7.08 0.67 92.25 5.10 0.94 1.66 90.16 1.49 0.00 0.54 0.09 85 K H H 101.47 4.61 17.39 22.64 92.43 51.28 -65.68 -40.69 4.92 0.34 94.74 3.04 0.69 1.49 93.40 1.08 0.00 0.26 0.05 86 Y H H 96.20 6.15 17.01 24.33 92.57 49.90 -66.65 -40.05 4.57 0.33 95.10 2.68 0.63 1.50 93.99 0.90 0.00 0.25 0.05 87 L H H 56.28 8.13 15.66 25.30 92.52 51.19 -65.14 -41.36 4.31 0.37 95.32 2.47 0.56 1.45 94.41 0.77 0.00 0.28 0.05 88 I H H 76.45 5.14 16.61 22.62 92.23 50.13 -65.29 -41.35 4.68 0.52 94.80 2.63 0.61 1.59 93.92 0.78 0.01 0.40 0.06 89 R H H 123.04 3.54 16.98 21.11 92.60 49.95 -65.69 -40.22 6.48 0.54 92.98 3.39 0.84 2.38 91.98 0.93 0.01 0.39 0.08 90 R H H 112.66 5.44 15.73 22.13 93.19 49.84 -66.79 -38.96 9.03 0.46 90.51 4.20 1.30 3.69 89.18 1.22 0.01 0.29 0.10 91 Q H H 87.52 4.99 15.21 21.23 93.51 51.93 -66.61 -38.83 13.51 0.40 86.09 5.93 1.99 5.63 84.43 1.67 0.02 0.22 0.12 92 N H H 88.42 4.10 15.16 19.85 94.25 51.23 -68.60 -34.12 22.65 0.52 76.83 9.80 2.99 9.93 74.52 2.29 0.02 0.28 0.18 93 Y H H 117.21 5.07 13.58 19.92 95.78 54.01 -71.38 -33.26 26.75 0.89 72.36 13.55 4.09 9.97 68.04 3.51 0.03 0.51 0.29 94 E H H 102.47 4.22 13.34 18.80 95.90 58.92 -69.86 -36.57 28.76 1.41 69.83 15.66 4.88 9.38 64.53 4.24 0.04 0.83 0.43 95 S H H 62.29 4.21 12.08 17.55 97.43 56.81 -71.86 -30.43 34.98 1.38 63.64 18.07 5.19 12.81 57.64 4.99 0.03 0.83 0.44 96 L H H 103.08 4.17 10.33 15.92 96.43 60.55 -73.06 -25.03 37.27 1.39 61.34 16.78 7.60 14.64 53.29 6.31 0.07 0.78 0.53 97 S C H 77.33 2.81 9.64 13.87 99.11 64.24 -79.67 -10.35 49.51 2.03 48.45 22.95 8.46 19.81 41.47 5.35 0.06 1.06 0.84 98 K C C 147.71 2.19 8.72 12.43 103.48 75.20 -84.44 20.56 69.43 1.86 28.72 48.15 2.33 18.31 26.01 3.32 0.00 1.02 0.85 99 R C C 162.54 2.92 10.36 15.00 108.45 99.46 -86.16 101.13 99.92 0.04 0.04 99.82 0.07 0.06 0.02 0.00 0.00 0.02 0.00